A0A087X5V2_POEFO Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A087X5V2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,128 aa.

						>A0A087X5V2_POEFO|A0A087X5V2
KTYGCAPPPAGSEESEEDDEEFAPEDVTFAPKDVSPVDFSPRLGVQGLGYRGLDPGLALPGRDADRHVHLFQPQSETRSRLFGDRPVGSRRGGVAGQAFGVGALEDEDEDVYHRDSMSRYDTVLRDEEPGDGLYGWTAPQQYTWRTDRTRDAAYLGKILDGFTLAQKPLEQKTVFPPPNLPRDYRPVHFFRPPVDVSRLCGVSPALAEALRSSRGHMVKEEAQQGSRHQLDSGQRGALLGEDALQGSGSGPGSVMDLLRPEDRQRLLSLRTAAAQMPSQDASQAPPLSGLQQEALAAWTGSSSSSSSSSQSFKPFEKTPGKQARYERYLSRLQQGDTGAAASARSSSGPPSCIGRLPPRCRPASPAPSSRTPWTPGTPAATSSQGDGQQAASRTFGKLTRETLEWHPDRLLCKRFNVPDPYPGSALVGLPKVKRDKFSVFDFLTVSERQEVAECQVFESVFPQHDAAKQICSWPGPSSQGADTLSFCGSAAPPKPLEEKKSRWDISKETGHTQNQAGSKPSGPAPDHRPSPPQEERPPMDLFRAIFISSSEEKSSSSSEEDGDEDEEAKGDEEPSSSRLAGPVLSSPVDFPSMPLALSSSSSQMPSREEDEEFGPKLPPPSAADGAAAQSCAGKKRHRRRHRRLPEEQQEEKKKHRKHKAKQQKKSREEESSSSEDSEGVQPSTDDLLRRSEAEEHPDPEHLVTRRAYILLLSNKHLNHLSGGGAFMGSGPEESSCDVLRSSSFLEGGRAEGWKNLLIAYGIFLRMYFRCKHLKVLLEITWLKLEPVVVQQPPGGGGSPQEDEGAEWSEESQDVDSGRPLRLFAGVHSRTVTECALIPNNNSRMVTVSWDRKMVAWDLETGRVLWETELDGLLTSCSCSSDGRLLVCAAEPQDTVYVCGASGGQTLHRISNHHSSTITRVRFDPPDQRVASVSADRTIKLWDLQAKRTTMSICSNHSNVISSCCFNGNGHFLCTASWDKTLKLWDLQGGQFRSNGGAALQRSHEGSVSCCVLSADADLLVSGSYDRTVALWDPSSLRRTLVLRGHSDWVTDVSLSADRKLVVSSSKDGSVRLWDVQNVEQIPEVMQIKSGEGTGVQILKCEECGRPFPVSRLLTSDLLTRCVFCRLKA
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	K	32	Very low	33.9	Very low	251 Å²	251	132.3 Å²	132.3	100%	1.091	83%	0.832	S	S	*	*				0	133.5	0	-74.4	-178.5	174.4	-179.7	0	107.7
2	T	30.8	Very low	33.3	Very low	126 Å²	126	129.5 Å²	129.5	77%	0.773	82%	0.82	S	S	*	*			trans	35.7	94.7	157.1	52.4	0	0	0	0	118.6
3	Y	30.8	Very low	32.8	Very low	241 Å²	241	133.9 Å²	133.9	95%	0.945	82%	0.824	S	S	*	*				-150.2	146.5	118.4	-80.6	-71.4	0	0	0	106.7
4	G	28.6	Very low	32.4	Very low	65 Å²	65	138.2 Å²	138.2	67%	0.67	83%	0.83	S	S	*	*			cis	130	76.8	0.8	0	0	0	0	0	110.8
5	C	32.4	Very low	32.2	Very low	137 Å²	137	136.1 Å²	136.1	93%	0.926	82%	0.824	S	S	*	*			trans	-97.3	123.7	-175.3	-56.9	0	0	0	0	111.9
6	A	30.9	Very low	32.1	Very low	97 Å²	97	139.5 Å²	139.5	80%	0.802	83%	0.829	S	S	*	*			trans	-162	157	156.3	0	0	0	0	0	109.5
7	P	50.8	Low	32	Very low	120 Å²	120	142.1 Å²	142.1	78%	0.779	83%	0.83	S	S	*	*			trans	-115.6	-178.5	-161.1	42.4	-33.3	0	0	0	114.6
8	P	37.9	Very low	32.1	Very low	122 Å²	122	142.2 Å²	142.2	79%	0.792	83%	0.827	S	S	*	*			trans	-120.4	164.9	144.7	9.2	12.8	0	0	0	113.3
9	P	40.8	Very low	32.1	Very low	121 Å²	121	142.1 Å²	142.1	79%	0.786	82%	0.823	S	S	*	*			trans	-116.7	171.5	-171.4	42.7	-33	0	0	0	115.9
10	A	30.8	Very low	32.3	Very low	106 Å²	106	143.9 Å²	143.9	88%	0.876	82%	0.823	S	S	*	*			trans	31.1	132.3	147	0	0	0	0	0	122.9
11	G	27.8	Very low	32.3	Very low	69 Å²	69	144.3 Å²	144.3	71%	0.711	82%	0.818	S	S	*	*			trans	112.1	152.7	167.9	0	0	0	0	0	112.5
12	S	26.1	Very low	32.3	Very low	99 Å²	99	140.8 Å²	140.8	69%	0.692	80%	0.803	S	S	*	*			cis	158.5	123.5	-26.7	43.8	0	0	0	0	105.7
13	E	26.7	Very low	32.6	Very low	187 Å²	187	138.8 Å²	138.8	87%	0.874	80%	0.8	S	S	*	*			trans	69.1	156.5	173.9	-46.9	172.2	158	0	0	112
14	E	27	Very low	33.1	Very low	194 Å²	194	133.3 Å²	133.3	91%	0.907	79%	0.793	S	S	*	*			cis	-128.4	-149.5	4.3	-71.1	-177.4	107.3	0	0	111.8
15	S	29.7	Very low	33.3	Very low	106 Å²	106	135.5 Å²	135.5	74%	0.741	79%	0.786	S	S	*	*			trans	-122.2	149.1	-168.4	53.6	0	0	0	0	114.3
16	E	30.4	Very low	33.1	Very low	191 Å²	191	135.3 Å²	135.3	89%	0.893	78%	0.776	S	S	*	*			trans	-168.9	134.6	162.5	-100	154.5	-155.6	0	0	104.8
17	E	31.2	Very low	33.2	Very low	183 Å²	183	137.9 Å²	137.9	86%	0.855	78%	0.781	S	S	*	*			cis	57.6	117.5	24	-70.4	-175.4	-161.3	0	0	113.8
18	D	32.9	Very low	32.3	Very low	144 Å²	144	138.6 Å²	138.6	77%	0.77	78%	0.784	S	S	*	*			cis	-158	-164.6	-18	-142.6	-27	0	0	0	107.3
19	D	32.7	Very low	32.2	Very low	141 Å²	141	143 Å²	143	75%	0.754	79%	0.791	S	S	*	*			trans	68.4	151.8	164.8	-60	-24.8	0	0	0	118.2
20	E	36.1	Very low	31.9	Very low	177 Å²	177	141.2 Å²	141.2	83%	0.827	79%	0.786	S	S	*	*			cis	-155.1	178.5	-27.4	-125.4	-165.4	161.1	0	0	110.1
21	E	32.5	Very low	32.2	Very low	153 Å²	153	141.3 Å²	141.3	72%	0.715	78%	0.778	S	S	*	*			trans	49	103.9	154.6	-147.9	-175.2	-148.7	0	0	120.8
22	F	31.8	Very low	32.6	Very low	177 Å²	177	148 Å²	148	78%	0.776	79%	0.788	S	S	*	*				-176.4	137.2	103.3	-116	-82.2	0	0	0	113.7
23	A	37.3	Very low	33.2	Very low	85 Å²	85	150.1 Å²	150.1	70%	0.702	79%	0.791	S	S	*	*			trans	-147.2	146.1	164.8	0	0	0	0	0	110.8
24	P	41.6	Very low	33.6	Very low	125 Å²	125	147.6 Å²	147.6	81%	0.812	79%	0.788	S	S	*	*			trans	-116.4	153	147.7	35.5	-28.9	0	0	0	111.6
25	E	31	Very low	34.1	Very low	112 Å²	112	143.3 Å²	143.3	52%	0.523	78%	0.78	S	S	.	*			trans	-92.4	-176.7	-174.7	-50	-171.5	103.8	0	0	112.8	K321	E25-K321 VanDerWaalsContact CD-CE 3.48Å; E25-K321 VanDerWaalsContact CD-NZ 3.28Å; E25-K321 VanDerWaalsContact OE1-CE 3.25Å; E25-K321 WeakPolarHBondContact OE1-CE 3.35Å; E25-K321 IonicContact OE1-NZ 2.92Å; E25-K321 PolarHBondContact OE1-NZ 2.72Å; E25-K321 WeakPolarHBondContact OE2-CE 3.49Å; E25-K321 IonicContact OE2-NZ 2.68Å; E25-K321 PolarHBondContact OE2-NZ 2.78Å
26	D	29.1	Very low	34.6	Very low	133 Å²	133	144.2 Å²	144.2	71%	0.711	78%	0.783	S	S	*	*			trans	70.1	76.8	159.2	-56.6	-24.9	0	0	0	119.3
27	V	32.2	Very low	35	Very low	150 Å²	150	140.2 Å²	140.2	91%	0.909	77%	0.771	S	S	*	*			trans	-131.3	134.5	137.9	-175.2	0	0	0	0	109.5
28	T	32.6	Very low	35.1	Very low	135 Å²	135	137.5 Å²	137.5	83%	0.828	76%	0.763	S	S	*	*			trans	-86.4	168	-172.5	44.6	0	0	0	0	114.5
29	F	36.1	Very low	35.1	Very low	214 Å²	214	139.4 Å²	139.4	94%	0.939	77%	0.765	S	S	*	*			trans	-55.6	138.3	-174.7	-81.2	-103.1	0	0	0	115.8
30	A	35.3	Very low	35.4	Very low	84 Å²	84	135.4 Å²	135.4	69%	0.694	75%	0.747	S	S	*	*			trans	-148.7	139	143.8	0	0	0	0	0	109.5
31	P	36.9	Very low	35.3	Very low	109 Å²	109	132.8 Å²	132.8	71%	0.708	75%	0.746	S	S	*	*			trans	-73.5	146.7	-179.6	30.3	-34.6	0	0	0	112.1	D33	P31-D33 VanDerWaalsContact C-N 3.27Å; P31-D33 PolarHBondContact O-N 2.84Å; P31-D33 VanDerWaalsContact O-N 3.13Å
32	K	34.7	Very low	35.4	Very low	209 Å²	209	136.6 Å²	136.6	91%	0.909	75%	0.754	S	S	*	*			trans	-87.1	55.2	178.6	-72.8	-174.7	176.3	176.3	0	112.8	V34	K32-V34 PolarHBondContact O-N 2.89Å; K32-V34 VanDerWaalsContact O-N 3.12Å
33	D	40.3	Very low	35.6	Very low	143 Å²	143	136.7 Å²	136.7	77%	0.765	76%	0.761	S	S	*	*			trans	-80.7	83.2	169.8	-74.6	-47.6	0	0	0	110.7	P31	P31-D33 VanDerWaalsContact C-N 3.27Å; P31-D33 PolarHBondContact O-N 2.84Å; P31-D33 VanDerWaalsContact O-N 3.13Å
34	V	35	Very low	35.3	Very low	134 Å²	134	135.7 Å²	135.7	81%	0.812	76%	0.759	S	S	*	*			trans	-136.1	80.3	168.6	-170.5	0	0	0	0	110.2	K32	K32-V34 PolarHBondContact O-N 2.89Å; K32-V34 VanDerWaalsContact O-N 3.12Å
35	S	37.3	Very low	35	Very low	104 Å²	104	135.8 Å²	135.8	73%	0.727	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-75.7	141.4	152.8	51.1	0	0	0	0	109	V37	S35-V37 PolarHBondContact O-N 3.41Å
36	P	39.7	Very low	35.1	Very low	126 Å²	126	139.4 Å²	139.4	82%	0.818	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-69.4	128.6	179.6	27.7	-33.5	0	0	0	110.8	D38	P36-D38 PolarHBondContact O-N 3.41Å
37	V	37.9	Very low	35.1	Very low	106 Å²	106	136.5 Å²	136.5	64%	0.642	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-71.2	122.6	172.2	176.6	0	0	0	0	109.2	S35 F39	S35-V37 PolarHBondContact O-N 3.41Å; V37-F39 HydrophobicContact CB-CD2 4.35Å; V37-F39 HydrophobicContact CB-CE2 3.8Å; V37-F39 HydrophobicContact CB-CZ 4.14Å; V37-F39 HydrophobicContact CG1-CD1 4.46Å; V37-F39 HydrophobicContact CG1-CD2 4.1Å; V37-F39 HydrophobicContact CG1-CE1 4.12Å; V37-F39 HydrophobicContact CG1-CE2 3.73Å; V37-F39 HydrophobicContact CG1-CG 4.46Å; V37-F39 HydrophobicContact CG1-CZ 3.74Å; V37-F39 VanDerWaalsContact O-CD2 3.32Å; V37-F39 WeakPolarHBondContact O-CD2 3.46Å; V37-F39 PolarHBondContact O-N 3.15Å
38	D	33.5	Very low	35	Very low	126 Å²	126	137.7 Å²	137.7	67%	0.674	78%	0.776	S	S	*	*			trans	-78.4	114.4	172.3	-179.9	33.9	0	0	0	110.4	P36 S40	P36-D38 PolarHBondContact O-N 3.41Å; D38-S40 VanDerWaalsContact C-N 3.3Å; D38-S40 PolarHBondContact O-N 2.6Å; D38-S40 WeakPolarHBondContact OD2-CB 3.31Å; D38-S40 PolarHBondContact OD2-OG 3.47Å
39	F	34.3	Very low	34.8	Very low	185 Å²	185	134.6 Å²	134.6	81%	0.811	77%	0.771	S	S	*	*			trans	-93.4	49.6	-179.4	-73.9	-81.3	0	0	0	111.9	V37 P41	V37-F39 HydrophobicContact CB-CD2 4.35Å; V37-F39 HydrophobicContact CB-CE2 3.8Å; V37-F39 HydrophobicContact CB-CZ 4.14Å; V37-F39 HydrophobicContact CG1-CD1 4.46Å; V37-F39 HydrophobicContact CG1-CD2 4.1Å; V37-F39 HydrophobicContact CG1-CE1 4.12Å; V37-F39 HydrophobicContact CG1-CE2 3.73Å; V37-F39 HydrophobicContact CG1-CG 4.46Å; V37-F39 HydrophobicContact CG1-CZ 3.74Å; V37-F39 VanDerWaalsContact O-CD2 3.32Å; V37-F39 WeakPolarHBondContact O-CD2 3.46Å; V37-F39 PolarHBondContact O-N 3.15Å; F39-P41 WeakPolarHBondContact O-CD 3.31Å
40	S	38.2	Very low	34.5	Very low	56 Å²	56	135.6 Å²	135.6	39%	0.392	77%	0.77	S	S	.	*			trans	-91	108.4	173.9	62.3	0	0	0	0	111	D38 R42	D38-S40 VanDerWaalsContact C-N 3.3Å; D38-S40 PolarHBondContact O-N 2.6Å; D38-S40 WeakPolarHBondContact OD2-CB 3.31Å; D38-S40 PolarHBondContact OD2-OG 3.47Å; S40-R42 PolarHBondContact O-N 3.06Å
41	P	33.7	Very low	34.4	Very low	122 Å²	122	143.5 Å²	143.5	79%	0.792	78%	0.782	S	S	*	*			trans	-74.4	103	-176	29.2	-34.2	0	0	0	111.1	F39 L43	F39-P41 WeakPolarHBondContact O-CD 3.31Å; P41-L43 PolarHBondContact O-N 3.37Å
42	R	35.3	Very low	34.2	Very low	233 Å²	233	141.8 Å²	141.8	88%	0.879	78%	0.784	S	S	*	*			trans	-80.3	109.5	175	-66.2	-170.2	180	-158	-0.8	110.7	S40	S40-R42 PolarHBondContact O-N 3.06Å
43	L	35.5	Very low	34	Very low	179 Å²	179	140.3 Å²	140.3	94%	0.937	79%	0.785	S	S	*	*			trans	-77.2	136.3	174	-77.7	160.3	0	0	0	111.7	P41	P41-L43 PolarHBondContact O-N 3.37Å
44	G	31.5	Very low	33.7	Very low	64 Å²	64	140.4 Å²	140.4	66%	0.66	79%	0.786	S	S	*	*			trans	119.9	143.5	159.6	0	0	0	0	0	115.8
45	V	34.6	Very low	34.1	Very low	128 Å²	128	140.4 Å²	140.4	78%	0.776	79%	0.788	S	S	*	*			trans	68.7	117.6	172.9	-168.6	0	0	0	0	114
46	Q	33.6	Very low	34.1	Very low	188 Å²	188	138.5 Å²	138.5	88%	0.879	79%	0.785	S	S	*	*			cis	-150.6	168.4	-2.9	-124.3	162.9	10.1	0	0	109.6
47	G	28.6	Very low	34	Very low	71 Å²	71	140.8 Å²	140.8	73%	0.732	79%	0.79	S	S	*	*			trans	-85.9	157.9	-171	0	0	0	0	0	116.2
48	L	30.9	Very low	33.8	Very low	175 Å²	175	139.9 Å²	139.9	92%	0.916	79%	0.793	S	S	*	*			trans	-118	143.7	147.7	-63.2	170.3	0	0	0	105.7
49	G	28.3	Very low	33.9	Very low	71 Å²	71	138.4 Å²	138.4	73%	0.732	79%	0.785	S	S	*	*			cis	122.5	69.7	13.7	0	0	0	0	0	109.7
50	Y	30.2	Very low	34.2	Very low	234 Å²	234	132.8 Å²	132.8	92%	0.918	77%	0.767	S	S	*	*			trans	-115.8	144.7	177.5	-84.1	-84.9	0	0	0	111.2
51	R	32	Very low	33.9	Very low	251 Å²	251	132.8 Å²	132.8	95%	0.947	78%	0.776	S	S	*	*			trans	-114.7	141.7	173.4	-93.1	-174.7	167.8	-170.7	-3.5	109.7
52	G	33.2	Very low	33.8	Very low	72 Å²	72	136.9 Å²	136.9	74%	0.742	78%	0.775	S	S	*	*			trans	89.6	100.9	148.4	0	0	0	0	0	116.8
53	L	31.4	Very low	33.4	Very low	179 Å²	179	132.5 Å²	132.5	94%	0.937	77%	0.769	S	S	*	*				-156.5	154	111.1	-102.8	165.1	0	0	0	109.1
54	D	33.9	Very low	33	Very low	145 Å²	145	127.6 Å²	127.6	78%	0.775	76%	0.755	S	S	*	*			trans	-93.1	154.9	-169.3	-79.9	-64.5	0	0	0	113.5	G56	D54-G56 PolarHBondContact O-N 3.02Å
55	P	42.3	Very low	32.8	Very low	134 Å²	134	130.4 Å²	130.4	87%	0.87	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	73.5	-166.7	34.7	-37.3	0	0	0	113
56	G	37.6	Very low	32.6	Very low	64 Å²	64	133.3 Å²	133.3	66%	0.66	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.7	-11.6	179	0	0	0	0	0	116.4	D54	D54-G56 PolarHBondContact O-N 3.02Å
57	L	37.7	Very low	32.4	Very low	174 Å²	174	131.3 Å²	131.3	91%	0.911	74%	0.742	S	S	*	*	S	Bend	trans	-141	123	-176	-60.7	170.7	0	0	0	108.8
58	A	33.2	Very low	32.4	Very low	87 Å²	87	133.4 Å²	133.4	72%	0.719	74%	0.741	S	S	*	*			cis	-147.4	159.5	-8.6	0	0	0	0	0	110.6
59	L	36.4	Very low	32.2	Very low	95 Å²	95	132.4 Å²	132.4	50%	0.497	73%	0.731	S	S	.	*			trans	-111.4	141.6	151.7	-70.9	88.4	0	0	0	105.3	E559	L59-E559 HydrophobicContact CB-CG 4.48Å; L59-E559 VanDerWaalsContact O-CA 3.31Å; L59-E559 WeakPolarHBondContact O-CA 3.17Å; L59-E559 PolarHBondContact O-N 2.87Å
60	P	40.4	Very low	32.1	Very low	67 Å²	67	135.9 Å²	135.9	44%	0.435	73%	0.732	S	S	.	*				-105	-169.9	80.2	-17.9	36.3	0	0	0	115.3	E559 E560	P60-E559 HydrophobicContact CB-CB 4.49Å; P60-E559 HydrophobicContact CG-CB 4.48Å; P60-E560 HydrophobicContact CB-CG 4.38Å; P60-E560 WeakPolarHBondContact CB-OE1 3.09Å; P60-E560 HydrophobicContact CG-CB 4.18Å; P60-E560 HydrophobicContact CG-CG 3.76Å
61	G	32.1	Very low	32.1	Very low	56 Å²	56	134.4 Å²	134.4	58%	0.577	73%	0.731	S	S	*	*			cis	-173	154	1.4	0	0	0	0	0	113.5	E559	G61-E559 WeakPolarHBondContact CA-OE1 3.27Å
62	R	30.5	Very low	31.8	Very low	208 Å²	208	131.4 Å²	131.4	79%	0.785	73%	0.727	S	S	*	*			trans	-78.7	167.7	174.5	-77.2	-171	-177.1	-176.2	3.7	112.5
63	D	27.4	Very low	32.4	Very low	140 Å²	140	133.9 Å²	133.9	75%	0.749	73%	0.73	S	S	*	*			cis	-139	-175.8	8.9	-115.1	-39.6	0	0	0	107.9
64	A	27.7	Very low	32.2	Very low	77 Å²	77	134 Å²	134	64%	0.636	73%	0.726	S	S	*	*			cis	-156.7	176.4	21.4	0	0	0	0	0	112.1
65	D	27.3	Very low	31.9	Very low	123 Å²	123	131.3 Å²	131.3	66%	0.658	72%	0.719	S	S	*	*			trans	47.9	112.5	149.9	-92.1	24.1	0	0	0	118.4
66	R	29.4	Very low	31.3	Very low	188 Å²	188	133.2 Å²	133.2	71%	0.709	72%	0.716	S	S	*	*			cis	-169.1	148.4	43.9	-114.8	162.7	-154.8	-154.7	3.1	116.1
67	H	30.2	Very low	30.9	Very low	146 Å²	146	136 Å²	136	68%	0.676	72%	0.72	S	S	*	*			trans	69.4	121.3	159.5	-54	-50.2	0	0	0	118
68	V	28.1	Very low	30.4	Very low	116 Å²	116	138.3 Å²	138.3	70%	0.703	72%	0.717	S	S	*	*			cis	73.3	116.5	34.4	-175.7	0	0	0	0	110.9
69	H	27.2	Very low	30.3	Very low	154 Å²	154	138.8 Å²	138.8	71%	0.713	72%	0.715	S	S	*	*			cis	-165.8	176.1	5.2	-129.4	-3.4	0	0	0	113.9
70	L	26.7	Very low	29.9	Very low	144 Å²	144	145.1 Å²	145.1	75%	0.754	73%	0.732	S	S	*	*			trans	56.4	125.8	144.5	-70	161.8	0	0	0	121.5
71	F	29.8	Very low	29.2	Very low	202 Å²	202	150 Å²	150	89%	0.886	75%	0.753	S	S	*	*			trans	-69.5	134.6	154.6	-71.1	-92.3	0	0	0	111.4
72	Q	25.8	Very low	29.1	Very low	189 Å²	189	156.1 Å²	156.1	88%	0.883	76%	0.764	S	S	*	*			trans	-142.2	124.5	150.6	-88	-170.7	-18.3	0	0	109.9
73	P	44.9	Very low	29	Very low	124 Å²	124	149.5 Å²	149.5	81%	0.805	76%	0.761	S	S	*	*			trans	-104.4	109.2	176.4	34.6	-26.9	0	0	0	111.8
74	Q	27.3	Very low	29	Very low	181 Å²	181	149.3 Å²	149.3	85%	0.846	76%	0.76	S	S	*	*			trans	-141.3	131.6	168.6	-75.6	-160.3	-13.4	0	0	114.4
75	S	28.6	Very low	28.9	Very low	89 Å²	89	156.2 Å²	156.2	62%	0.622	77%	0.77	S	S	*	*			trans	17.4	134.7	147.4	56.5	0	0	0	0	122.4
76	E	28.4	Very low	29.5	Very low	174 Å²	174	155.3 Å²	155.3	81%	0.813	77%	0.771	S	S	*	*			trans	52.5	121.5	133.8	-54.3	-178.2	167.3	0	0	119
77	T	29.2	Very low	29.4	Very low	121 Å²	121	153.2 Å²	153.2	74%	0.742	78%	0.778	S	S	*	*				-177.6	157.5	82.2	30.2	0	0	0	0	113.9
78	R	28	Very low	29.3	Very low	224 Å²	224	149.6 Å²	149.6	85%	0.845	78%	0.781	S	S	*	*			trans	33.2	97.8	144.4	-66.5	178.5	171.6	153.9	-0.8	120.6
79	S	30.5	Very low	29.2	Very low	96 Å²	96	149 Å²	149	67%	0.671	78%	0.782	S	S	*	*				34.6	139.7	108.2	71.1	0	0	0	0	122.1
80	R	27.8	Very low	29.4	Very low	229 Å²	229	151.7 Å²	151.7	86%	0.864	79%	0.786	S	S	*	*			trans	93.1	113.7	158.9	-57.9	-178.9	178.9	178.8	-0.7	117.6
81	L	27.4	Very low	29.6	Very low	168 Å²	168	155.7 Å²	155.7	88%	0.88	79%	0.791	S	S	*	*				-135.8	158.8	128.8	-97	162.2	0	0	0	107.9
82	F	28.8	Very low	29.7	Very low	185 Å²	185	150.1 Å²	150.1	81%	0.811	79%	0.79	S	S	*	*			trans	-74.2	164.1	-162.8	-65.8	-97.4	0	0	0	113.8
83	G	28.7	Very low	29.8	Very low	70 Å²	70	144.2 Å²	144.2	72%	0.722	78%	0.78	S	S	*	*			cis	-163.5	-138.2	15.8	0	0	0	0	0	117.1
84	D	26.8	Very low	29.2	Very low	136 Å²	136	145.6 Å²	145.6	73%	0.727	79%	0.786	S	S	*	*			trans	-93.2	146.6	-144.9	-83.4	-82.7	0	0	0	118.3
85	R	26.2	Very low	29.4	Very low	221 Å²	221	141.7 Å²	141.7	83%	0.834	79%	0.785	S	S	*	*				30.2	161.2	116.4	-104.1	173.6	162.1	-170.4	-6.2	120.2
86	P	40	Very low	29.6	Very low	105 Å²	105	140.5 Å²	140.5	68%	0.682	79%	0.787	S	S	*	*			cis	-143.3	175.9	1.5	41.9	-22.1	0	0	0	117.8
87	V	27.4	Very low	29.8	Very low	143 Å²	143	142 Å²	142	87%	0.867	79%	0.794	S	S	*	*			trans	29	130.3	137.6	-178.7	0	0	0	0	122.1
88	G	27.1	Very low	29.9	Very low	71 Å²	71	140.5 Å²	140.5	73%	0.732	79%	0.794	S	S	*	*			trans	150.5	122.4	152	0	0	0	0	0	112.6
89	S	27.5	Very low	30.1	Very low	104 Å²	104	139.6 Å²	139.6	73%	0.727	80%	0.796	S	S	*	*			cis	103.6	114.1	22.2	-167.9	0	0	0	0	114.6
90	R	30.3	Very low	30	Very low	209 Å²	209	138.3 Å²	138.3	79%	0.789	80%	0.798	S	S	*	*			trans	80.9	133.5	153.1	-75.3	173.2	176.7	-166.6	-1.3	123.2
91	R	31.4	Very low	30.3	Very low	229 Å²	229	133.9 Å²	133.9	86%	0.864	80%	0.796	S	S	*	*			trans	96	149.1	132.6	-83.1	173.7	178.1	-165.1	-1.7	121.8
92	G	31.5	Very low	30.3	Very low	84 Å²	84	129.6 Å²	129.6	87%	0.866	79%	0.793	S	S	*	*			trans	90.6	125.5	-175.9	0	0	0	0	0	111.7
93	G	29.4	Very low	30.4	Very low	66 Å²	66	125.1 Å²	125.1	68%	0.68	79%	0.79	S	S	*	*			cis	157.3	118.4	0.3	0	0	0	0	0	106.8
94	V	31.6	Very low	30.6	Very low	152 Å²	152	128.7 Å²	128.7	92%	0.921	79%	0.792	S	S	*	*				47.8	117.2	91.1	-177.9	0	0	0	0	111.6
95	A	30.7	Very low	30.9	Very low	100 Å²	100	130.2 Å²	130.2	83%	0.826	79%	0.794	S	S	*	*			cis	-144.6	178.4	9	0	0	0	0	0	109.6
96	G	32.8	Very low	31.4	Very low	64 Å²	64	126 Å²	126	66%	0.66	79%	0.789	S	S	*	*			cis	148.3	166.3	-2.7	0	0	0	0	0	111.3
97	Q	33.9	Very low	31.3	Very low	205 Å²	205	128.9 Å²	128.9	96%	0.958	79%	0.793	S	S	*	*			trans	64.4	153.6	171.5	-70.6	176.3	-39.7	0	0	117.3
98	A	31.4	Very low	31.9	Very low	90 Å²	90	128.5 Å²	128.5	74%	0.744	79%	0.786	S	S	*	*			cis	-157.8	177.5	-18.6	0	0	0	0	0	110.3
99	F	30.1	Very low	32.5	Very low	205 Å²	205	133 Å²	133	90%	0.899	79%	0.788	S	S	*	*			trans	-90	164.7	-175.9	-78.5	-100.9	0	0	0	114.8	V101	F99-V101 HydrophobicContact CD1-CG2 4.39Å
100	G	29.5	Very low	33.3	Very low	69 Å²	69	135.2 Å²	135.2	71%	0.711	79%	0.792	S	S	*	*			trans	152.9	103.2	169.9	0	0	0	0	0	109.7
101	V	33.4	Very low	33.6	Very low	135 Å²	135	131.4 Å²	131.4	82%	0.818	79%	0.791	S	S	*	*			cis	79.3	122.7	20.3	-168.4	0	0	0	0	114.4	F99	F99-V101 HydrophobicContact CD1-CG2 4.39Å
102	G	27.3	Very low	34.1	Very low	78 Å²	78	131.8 Å²	131.8	80%	0.804	79%	0.794	S	S	*	*			trans	87.7	139.8	-176.4	0	0	0	0	0	113
103	A	31	Very low	34.6	Very low	91 Å²	91	136.7 Å²	136.7	75%	0.752	79%	0.794	S	S	*	*			cis	-140.5	146.8	-7.1	0	0	0	0	0	107.1
104	L	34	Very low	35.3	Very low	146 Å²	146	144.3 Å²	144.3	76%	0.764	80%	0.802	S	S	*	*				76.9	155.3	64.1	-142.9	134.9	0	0	0	112.9
105	E	32.5	Very low	35.8	Very low	167 Å²	167	144.6 Å²	144.6	78%	0.78	80%	0.799	S	S	*	*			trans	76.9	117	-171	-56.3	164.9	-155.5	0	0	111.8
106	D	35.9	Very low	36.2	Very low	134 Å²	134	145.5 Å²	145.5	72%	0.717	80%	0.799	S	S	*	*			cis	70.4	136.9	43.1	-46.9	-48.4	0	0	0	110.7
107	E	39.6	Very low	36.7	Very low	165 Å²	165	151.6 Å²	151.6	77%	0.771	81%	0.813	S	S	*	*			cis	-157.3	172.9	16.6	-128.3	159.8	-160	0	0	110.7
108	D	39.6	Very low	37.1	Very low	134 Å²	134	146.6 Å²	146.6	72%	0.717	80%	0.801	S	S	*	*			trans	41	124.1	149.6	-65	1.2	0	0	0	123.2
109	E	39.6	Very low	37.5	Very low	166 Å²	166	153.5 Å²	153.5	78%	0.776	81%	0.807	S	S	*	*				82.9	145.9	85.5	-64.8	-138.6	137.3	0	0	117.6
110	D	43.6	Very low	37.7	Very low	151 Å²	151	155 Å²	155	81%	0.807	81%	0.809	S	S	*	*			trans	39.8	85.4	164.3	-79	2.3	0	0	0	121.9
111	V	37.7	Very low	38.3	Very low	129 Å²	129	158.6 Å²	158.6	78%	0.782	81%	0.812	S	S	*	*			trans	-128.4	65.8	162.9	-165.5	0	0	0	0	113.2
112	Y	41.8	Very low	38.9	Very low	237 Å²	237	158.6 Å²	158.6	93%	0.929	81%	0.812	S	S	*	*			trans	-143	53.5	159	-84.3	-63.8	0	0	0	112.9
113	H	41.4	Very low	39.5	Very low	187 Å²	187	161.7 Å²	161.7	87%	0.866	82%	0.815	S	S	*	*			trans	-69.3	133.3	166	-111.5	-88.2	0	0	0	111.3	D115	H113-D115 PolarHBondContact O-N 3.16Å
114	R	45	Very low	40.1	Very low	225 Å²	225	165.7 Å²	165.7	85%	0.849	82%	0.823	S	S	*	*	S	Bend	trans	-73	113.5	166.5	-72.7	165.5	54.9	169.2	-1.6	108.7
115	D	40.2	Very low	40	Very low	158 Å²	158	169.7 Å²	169.7	85%	0.845	83%	0.828	S	S	*	*			trans	176.9	94.7	135.6	-89.7	-14.9	0	0	0	111	H113	H113-D115 PolarHBondContact O-N 3.16Å
116	S	40.3	Very low	40.1	Very low	120 Å²	120	169 Å²	169	84%	0.839	83%	0.83	S	S	*	*			trans	-134.3	39	-177.8	49.8	0	0	0	0	113.3
117	M	43.3	Very low	40.3	Very low	192 Å²	192	171.9 Å²	171.9	95%	0.946	84%	0.839	S	S	*	*			trans	-133.7	71.2	164.6	-76.1	-156.6	-64.4	0	0	112.4
118	S	42	Very low	40.3	Very low	100 Å²	100	172.9 Å²	172.9	70%	0.699	84%	0.843	S	S	*	*	S	Bend	trans	-152	159.3	150.5	68.4	0	0	0	0	109.6
119	R	40.1	Very low	40.6	Very low	234 Å²	234	172.4 Å²	172.4	88%	0.883	85%	0.848	S	S	*	*			trans	72.1	37.5	176.8	-46.4	-179.1	-172	-175.3	1.3	117.5	D121	R119-D121 VanDerWaalsContact C-N 3.31Å
120	Y	34.6	Very low	40.3	Very low	237 Å²	237	167.8 Å²	167.8	93%	0.929	85%	0.845	S	S	*	*			trans	-94.3	66.8	149.8	-89.9	-73.2	0	0	0	110.1
121	D	40.8	Very low	39.9	Very low	144 Å²	144	169 Å²	169	77%	0.77	85%	0.851	S	S	*	*			trans	-165.8	141.8	163.3	-115.6	-30.5	0	0	0	106.9	R119	R119-D121 VanDerWaalsContact C-N 3.31Å
122	T	47	Very low	39.7	Very low	136 Å²	136	165.8 Å²	165.8	83%	0.834	84%	0.844	S	S	*	*	S	Bend	trans	104.4	34.3	-177.4	79	0	0	0	0	120.5
123	V	40.5	Very low	39.3	Very low	142 Å²	142	161.7 Å²	161.7	86%	0.861	84%	0.838	S	S	*	*	S	Bend	trans	-142.2	50	154.5	-158.2	0	0	0	0	112.8
124	L	41.9	Very low	38.9	Very low	175 Å²	175	162.9 Å²	162.9	92%	0.916	84%	0.836	S	S	*	*			trans	-148.4	80.8	162.8	-86.4	-172.9	0	0	0	110.6
125	R	31.7	Very low	38.2	Very low	231 Å²	231	155.7 Å²	155.7	87%	0.872	83%	0.832	S	S	*	*			trans	-163	155.8	157.8	-108.8	163.6	-159.8	-125.1	-1.4	108.4
126	D	35.9	Very low	37.8	Very low	153 Å²	153	160.4 Å²	160.4	82%	0.818	84%	0.838	S	S	*	*			trans	68.3	122.4	179.7	-42.5	-26.7	0	0	0	111.9
127	E	40	Very low	37.4	Very low	193 Å²	193	160.8 Å²	160.8	90%	0.902	84%	0.835	S	S	*	*			cis	-133.7	175.4	9.1	-64.9	-174.7	121.5	0	0	112.9
128	E	38.8	Very low	37.1	Very low	186 Å²	186	155.9 Å²	155.9	87%	0.869	83%	0.825	S	S	*	*			trans	-95.9	-136.4	-175.4	-64.6	-174.7	144	0	0	113.1
129	P	46.3	Very low	37.1	Very low	125 Å²	125	156.6 Å²	156.6	81%	0.812	83%	0.827	S	S	*	*				-126.3	150.6	-109.2	38	-20.6	0	0	0	115.5
130	G	33.1	Very low	36.6	Very low	69 Å²	69	154.1 Å²	154.1	71%	0.711	83%	0.826	S	S	*	*			trans	174.1	151.3	167.4	0	0	0	0	0	114.5
131	D	34.4	Very low	36.5	Very low	176 Å²	176	151 Å²	151	94%	0.941	82%	0.82	S	S	*	*			trans	52.3	140.6	163.7	-58	-20.3	0	0	0	120.5
132	G	33.8	Very low	36.1	Very low	62 Å²	62	155.1 Å²	155.1	64%	0.639	83%	0.826	S	S	*	*			cis	151.5	53.6	0	0	0	0	0	0	114.7
133	L	33.8	Very low	35.5	Very low	151 Å²	151	154.3 Å²	154.3	79%	0.791	82%	0.821	S	S	*	*			trans	67.1	163.1	-179.4	-82.9	62.2	0	0	0	116.1
134	Y	33	Very low	35	Very low	212 Å²	212	159.6 Å²	159.6	83%	0.831	83%	0.826	S	S	*	*			trans	58.7	97	168.7	-67.1	-69.8	0	0	0	120.3
135	G	31.2	Very low	34.6	Very low	73 Å²	73	162.4 Å²	162.4	75%	0.753	82%	0.824	S	S	*	*				57.4	87.9	116.8	0	0	0	0	0	118.6	T137	G135-T137 PolarHBondContact O-N 3.13Å
136	W	31.2	Very low	34.9	Very low	258 Å²	258	156.4 Å²	156.4	98%	0.977	81%	0.813	S	S	*	*			trans	-67.1	114.4	170	-81.5	76	0	0	0	112.8
137	T	32.3	Very low	35.1	Very low	128 Å²	128	154.7 Å²	154.7	79%	0.785	80%	0.804	S	S	*	*			trans	-81	154.4	155.4	39.1	0	0	0	0	111.5	G135	G135-T137 PolarHBondContact O-N 3.13Å
138	A	36.2	Very low	35.5	Very low	89 Å²	89	155.4 Å²	155.4	74%	0.736	80%	0.799	S	S	*	*			trans	-57.8	169.7	170.8	0	0	0	0	0	112.1
139	P	41.4	Very low	36.1	Very low	115 Å²	115	151.9 Å²	151.9	75%	0.747	79%	0.79	S	S	*	*			cis	-149.8	174	25	44.6	-25.4	0	0	0	118.7
140	Q	30	Very low	36.4	Very low	181 Å²	181	155.1 Å²	155.1	85%	0.846	79%	0.786	S	S	*	*				-166.6	158	113.3	-105.8	-178.6	5.9	0	0	112.1
141	Q	33	Very low	37.1	Very low	173 Å²	173	155.7 Å²	155.7	81%	0.808	77%	0.773	S	S	*	*			trans	-96.9	137.9	176.9	-61.2	168.2	-65.6	0	0	109.9
142	Y	31.5	Very low	38	Very low	230 Å²	230	150.3 Å²	150.3	90%	0.902	75%	0.752	S	S	*	*			trans	-128	139.8	147.7	-102.7	-87.6	0	0	0	109.7
143	T	34.9	Very low	38.9	Very low	119 Å²	119	150.4 Å²	150.4	73%	0.73	75%	0.747	S	S	*	*			trans	-121.7	131.9	-171.2	52.2	0	0	0	0	110
144	W	30.4	Very low	39.4	Very low	252 Å²	252	151 Å²	151	96%	0.955	74%	0.74	S	S	*	*			trans	-131.2	152.7	164.5	-163	-85	0	0	0	109.5
145	R	34.3	Very low	40	Very low	234 Å²	234	145.6 Å²	145.6	88%	0.883	73%	0.725	S	S	*	*			trans	-92.5	159.7	-167.6	-69.5	179.1	172.4	177.9	-2.1	113
146	T	37.8	Very low	40.9	Very low	105 Å²	105	143.6 Å²	143.6	64%	0.644	71%	0.705	S	S	*	*			trans	-91.9	126.7	-173.3	30.1	0	0	0	0	114.3	R148	T146-R148 PolarHBondContact O-N 2.69Å; T146-R148 VanDerWaalsContact O-N 3.07Å
147	D	39.5	Very low	41.9	Very low	118 Å²	118	139.3 Å²	139.3	63%	0.631	69%	0.693	S	S	*	*			trans	-77	85.1	168.5	-82.3	-26.4	0	0	0	111.5	T149 R150	D147-T149 PolarHBondContact O-N 3.43Å; D147-R150 PolarHBondContact O-N 2.7Å; D147-R150 VanDerWaalsContact O-N 3.14Å
148	R	48.3	Very low	42.7	Very low	208 Å²	208	136.5 Å²	136.5	79%	0.785	67%	0.672	S	S	*	*	H	α-helix	trans	-55	-15.1	-177.5	-74.6	178.7	159.5	179.8	-6.9	115.7	T146 A152	T146-R148 PolarHBondContact O-N 2.69Å; T146-R148 VanDerWaalsContact O-N 3.07Å; R148-A152 PolarHBondContact O-N 3.43Å
149	T	52.3	Low	43.2	Very low	111 Å²	111	137.7 Å²	137.7	68%	0.681	67%	0.666	S	S	*	*	H	α-helix	trans	-74.2	-34.6	178.5	52.1	0	0	0	0	113	D147 A153	D147-T149 PolarHBondContact O-N 3.43Å; T149-A153 PolarHBondContact O-N 2.67Å
150	R	52.8	Low	43.4	Very low	194 Å²	194	138.4 Å²	138.4	73%	0.732	66%	0.663	S	S	*	*	H	α-helix	trans	-73.8	-40.1	175.8	-72.6	-178.4	173.2	171.9	-0.4	111.3	D147 A152 A153 Y154	D147-R150 PolarHBondContact O-N 2.7Å; D147-R150 VanDerWaalsContact O-N 3.14Å; R150-A152 VanDerWaalsContact C-N 3.31Å; R150-A152 PolarHBondContact O-N 3.26Å; R150-A153 PolarHBondContact O-N 3.47Å; R150-Y154 PolarHBondContact O-N 2.85Å
151	D	47.6	Very low	44.3	Very low	81 Å²	81	132.7 Å²	132.7	43%	0.433	65%	0.653	S	S	.	*	H	α-helix	trans	-60.1	-39.8	174.6	-66.6	-24.2	0	0	0	111.9	A153 Y154 L155	D151-A153 PolarHBondContact O-N 3.42Å; D151-Y154 PolarHBondContact O-N 3.33Å; D151-L155 VanDerWaalsContact O-CB 3.25Å; D151-L155 WeakPolarHBondContact O-CB 3.3Å; D151-L155 VanDerWaalsContact O-CG 3.26Å; D151-L155 WeakPolarHBondContact O-CG 3.36Å; D151-L155 PolarHBondContact O-N 3.02Å
152	A	52.1	Low	45	Very low	62 Å²	62	132.8 Å²	132.8	51%	0.512	65%	0.651	S	S	.	*	H	α-helix	trans	-62.4	-42.3	176.6	0	0	0	0	0	112.9	R148 R150 Y154 G156	R148-A152 PolarHBondContact O-N 3.43Å; R150-A152 VanDerWaalsContact C-N 3.31Å; R150-A152 PolarHBondContact O-N 3.26Å; A152-Y154 VanDerWaalsContact C-N 3.34Å; A152-G156 PolarHBondContact O-N 3.41Å
153	A	53.3	Low	45.6	Very low	64 Å²	64	126.6 Å²	126.6	53%	0.529	64%	0.637	S	S	.	*	H	α-helix	trans	-70.5	-29.3	177	0	0	0	0	0	113	T149 R150 D151	T149-A153 PolarHBondContact O-N 2.67Å; R150-A153 PolarHBondContact O-N 3.47Å; D151-A153 PolarHBondContact O-N 3.42Å
154	Y	44.2	Very low	46.2	Very low	164 Å²	164	128.8 Å²	128.8	64%	0.643	64%	0.644	S	S	*	*	H	α-helix	trans	-77.7	-43.7	175.7	-158.8	-114.4	0	0	0	111.5	R150 D151 A152 G156 K157 I158	R150-Y154 PolarHBondContact O-N 2.85Å; D151-Y154 PolarHBondContact O-N 3.33Å; A152-Y154 VanDerWaalsContact C-N 3.34Å; Y154-G156 PolarHBondContact O-N 2.65Å; Y154-K157 PolarHBondContact O-N 2.8Å; Y154-I158 HydrophobicContact CD1-CD1 3.61Å; Y154-I158 HydrophobicContact CE1-CD1 3.59Å; Y154-I158 HydrophobicContact CG-CD1 4.4Å; Y154-I158 WeakPolarHBondContact O-CG1 3.4Å; Y154-I158 PolarHBondContact O-N 2.98Å
155	L	44.8	Very low	46.5	Very low	99 Å²	99	121.6 Å²	121.6	52%	0.518	64%	0.638	S	S	.	*	H	α-helix	trans	-62.5	-38.5	173.9	-75.5	168.6	0	0	0	112.3	D151 K157 I158 L159	D151-L155 VanDerWaalsContact O-CB 3.25Å; D151-L155 WeakPolarHBondContact O-CB 3.3Å; D151-L155 VanDerWaalsContact O-CG 3.26Å; D151-L155 WeakPolarHBondContact O-CG 3.36Å; D151-L155 PolarHBondContact O-N 3.02Å; L155-K157 PolarHBondContact O-N 2.86Å; L155-I158 PolarHBondContact O-N 3.36Å; L155-L159 WeakPolarHBondContact O-CB 3.06Å; L155-L159 VanDerWaalsContact O-CG 3.29Å; L155-L159 WeakPolarHBondContact O-CG 3.14Å; L155-L159 PolarHBondContact O-N 3.26Å
156	G	50.9	Low	47.1	Very low	31 Å²	31	119.2 Å²	119.2	32%	0.32	64%	0.637	S	S	.	*	H	α-helix	trans	-56	-49.9	173.4	0	0	0	0	0	112.2	A152 Y154 I158 L159 D160	A152-G156 PolarHBondContact O-N 3.41Å; Y154-G156 PolarHBondContact O-N 2.65Å; G156-I158 VanDerWaalsContact C-N 3.3Å; G156-I158 PolarHBondContact O-N 3.5Å; G156-L159 PolarHBondContact O-N 3.48Å; G156-D160 PolarHBondContact O-N 2.74Å
157	K	52.4	Low	47.5	Very low	167 Å²	167	123.2 Å²	123.2	73%	0.726	65%	0.645	S	S	*	*	H	α-helix	trans	-67.9	-26.8	178.2	-68.6	-179.6	179	-179.1	0	113.8	Y154 L155 G161	Y154-K157 PolarHBondContact O-N 2.8Å; L155-K157 PolarHBondContact O-N 2.86Å; K157-G161 PolarHBondContact O-N 2.77Å
158	I	49.7	Very low	47.8	Very low	70 Å²	70	123.3 Å²	123.3	36%	0.359	65%	0.652	S	S	.	*	H	α-helix	trans	-77	-38	173.5	-70.5	170.1	0	0	0	111	Y154 L155 G156 G161 F162	Y154-I158 HydrophobicContact CD1-CD1 3.61Å; Y154-I158 HydrophobicContact CE1-CD1 3.59Å; Y154-I158 HydrophobicContact CG-CD1 4.4Å; Y154-I158 WeakPolarHBondContact O-CG1 3.4Å; Y154-I158 PolarHBondContact O-N 2.98Å; L155-I158 PolarHBondContact O-N 3.36Å; G156-I158 VanDerWaalsContact C-N 3.3Å; G156-I158 PolarHBondContact O-N 3.5Å; I158-G161 CarbonylContact O-C 3.54Å; I158-G161 WeakPolarHBondContact O-CA 3.25Å; I158-G161 PolarHBondContact O-N 3.4Å; I158-G161 VanDerWaalsContact O-N 3.12Å; I158-F162 HydrophobicContact CG2-CD2 3.96Å; I158-F162 HydrophobicContact CG2-CE2 4.29Å; I158-F162 WeakPolarHBondContact O-CD2 3.3Å; I158-F162 PolarHBondContact O-N 2.88Å; I158-F162 VanDerWaalsContact O-N 3.16Å
159	L	45.3	Very low	47.6	Very low	113 Å²	113	121.5 Å²	121.5	59%	0.592	66%	0.657	S	S	*	*	H	α-helix	trans	-68.3	-40.8	176.9	-72.6	166.8	0	0	0	111.8	L155 G156 G161 F162 T163	L155-L159 WeakPolarHBondContact O-CB 3.06Å; L155-L159 VanDerWaalsContact O-CG 3.29Å; L155-L159 WeakPolarHBondContact O-CG 3.14Å; L155-L159 PolarHBondContact O-N 3.26Å; G156-L159 PolarHBondContact O-N 3.48Å; L159-G161 PolarHBondContact O-N 2.93Å; L159-F162 PolarHBondContact O-N 2.75Å; L159-T163 PolarHBondContact O-N 3.13Å
160	D	47.4	Very low	47.3	Very low	131 Å²	131	122.9 Å²	122.9	70%	0.701	66%	0.656	S	S	*	*	H	α-helix	trans	-57.9	-31.9	169.1	-75.7	-17.3	0	0	0	111.9	G156	G156-D160 PolarHBondContact O-N 2.74Å
161	G	48.2	Very low	47	Very low	61 Å²	61	122.9 Å²	122.9	63%	0.629	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-10.4	175.3	0	0	0	0	0	115.9	K157 I158 L159	K157-G161 PolarHBondContact O-N 2.77Å; I158-G161 CarbonylContact O-C 3.54Å; I158-G161 WeakPolarHBondContact O-CA 3.25Å; I158-G161 PolarHBondContact O-N 3.4Å; I158-G161 VanDerWaalsContact O-N 3.12Å; L159-G161 PolarHBondContact O-N 2.93Å
162	F	46.4	Very low	46.8	Very low	174 Å²	174	126.1 Å²	126.1	76%	0.763	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.5	-2.5	-176.8	-86.7	-73.8	0	0	0	114.9	I158 L159	I158-F162 HydrophobicContact CG2-CD2 3.96Å; I158-F162 HydrophobicContact CG2-CE2 4.29Å; I158-F162 WeakPolarHBondContact O-CD2 3.3Å; I158-F162 PolarHBondContact O-N 2.88Å; I158-F162 VanDerWaalsContact O-N 3.16Å; L159-F162 PolarHBondContact O-N 2.75Å
163	T	44.2	Very low	46.4	Very low	100 Å²	100	128.6 Å²	128.6	61%	0.613	68%	0.683	S	S	*	*	S	Bend	trans	-71.7	128.9	166.1	52.7	0	0	0	0	110.4	L159 A165	L159-T163 PolarHBondContact O-N 3.13Å; T163-A165 PolarHBondContact O-N 3.17Å
164	L	47.4	Very low	46	Very low	166 Å²	166	131.2 Å²	131.2	87%	0.869	69%	0.692	S	S	*	*			trans	-65.4	119.9	170.6	-84.5	165.2	0	0	0	108.6	Q166	L164-Q166 PolarHBondContact O-N 3.19Å
165	A	37.9	Very low	46	Very low	100 Å²	100	131.7 Å²	131.7	83%	0.826	70%	0.698	S	S	*	*			trans	-68	74.3	-177.6	0	0	0	0	0	112.8	T163 K167	T163-A165 PolarHBondContact O-N 3.17Å; A165-K167 PolarHBondContact O-N 3.11Å
166	Q	47.1	Very low	46.4	Very low	184 Å²	184	131.9 Å²	131.9	86%	0.86	71%	0.705	S	S	*	*			trans	-63.7	112.6	154.3	-68.8	-171.1	-5.4	0	0	107.2	L164	L164-Q166 PolarHBondContact O-N 3.19Å
167	K	46.3	Very low	45.9	Very low	190 Å²	190	135.6 Å²	135.6	83%	0.826	72%	0.724	S	S	*	*			trans	-56.2	140.6	165.9	-68.3	-174.1	175.5	-171.8	0	108.3	A165 L169	A165-K167 PolarHBondContact O-N 3.11Å; K167-L169 PolarHBondContact O-N 3.28Å
168	P	44.8	Very low	46.1	Very low	119 Å²	119	132.7 Å²	132.7	77%	0.773	72%	0.722	S	S	*	*			trans	-55.4	142.2	171.4	25.4	-34	0	0	0	109.4	E170	P168-E170 PolarHBondContact O-N 3.16Å
169	L	43.4	Very low	45.9	Very low	171 Å²	171	137.3 Å²	137.3	90%	0.895	75%	0.747	S	S	*	*			trans	-67.4	95.5	179.9	-84.9	162.3	0	0	0	110.1	K167 Q171	K167-L169 PolarHBondContact O-N 3.28Å; L169-Q171 PolarHBondContact O-N 2.56Å; L169-Q171 VanDerWaalsContact O-N 3.09Å
170	E	46	Very low	46.6	Very low	139 Å²	139	136.7 Å²	136.7	65%	0.65	74%	0.744	S	S	*	*			trans	-52.8	114	158.7	-71.1	178.4	-177.8	0	0	108.2	P168 K172	P168-E170 PolarHBondContact O-N 3.16Å; E170-K172 HydrophobicContact CB-CG 4.48Å; E170-K172 PolarHBondContact O-N 3.08Å; E170-K172 IonicContact OE2-NZ 3.17Å; E170-K172 PolarHBondContact OE2-NZ 3.45Å
171	Q	47.4	Very low	47.5	Very low	194 Å²	194	135.1 Å²	135.1	91%	0.907	74%	0.741	S	S	*	*			trans	-70.8	74.8	165.4	-75.5	-171.6	-15.8	0	0	109.1	L169 T173	L169-Q171 PolarHBondContact O-N 2.56Å; L169-Q171 VanDerWaalsContact O-N 3.09Å; Q171-T173 PolarHBondContact O-N 3.38Å
172	K	43.1	Very low	47.7	Very low	150 Å²	150	144 Å²	144	65%	0.652	76%	0.756	S	S	*	*			trans	-64.7	105.7	167	-86.9	-170.3	163.7	94.7	0	108.4	E170 V174	E170-K172 HydrophobicContact CB-CG 4.48Å; E170-K172 PolarHBondContact O-N 3.08Å; E170-K172 IonicContact OE2-NZ 3.17Å; E170-K172 PolarHBondContact OE2-NZ 3.45Å; K172-V174 HydrophobicContact CB-CG2 4.19Å; K172-V174 PolarHBondContact O-N 3.41Å
173	T	44.4	Very low	47.9	Very low	114 Å²	114	142.5 Å²	142.5	70%	0.699	76%	0.755	S	S	*	*			trans	-64.4	81.7	159.4	38.6	0	0	0	0	108.6	Q171 F175	Q171-T173 PolarHBondContact O-N 3.38Å; T173-F175 VanDerWaalsContact C-N 3.29Å; T173-F175 WeakPolarHBondContact O-CD2 3.33Å; T173-F175 PolarHBondContact O-N 3.49Å
174	V	44.3	Very low	47.8	Very low	119 Å²	119	144.9 Å²	144.9	72%	0.721	75%	0.754	S	S	*	*			trans	-68.7	92.6	171.2	-178.9	0	0	0	0	107.3	K172 P176	K172-V174 HydrophobicContact CB-CG2 4.19Å; K172-V174 PolarHBondContact O-N 3.41Å; V174-P176 VanDerWaalsContact O-CD 3.26Å; V174-P176 WeakPolarHBondContact O-CD 3.38Å
175	F	43.7	Very low	47.8	Very low	174 Å²	174	147.4 Å²	147.4	76%	0.763	75%	0.752	S	S	*	*			trans	-63.4	116	164.1	-74.1	-87	0	0	0	107.8	T173	T173-F175 VanDerWaalsContact C-N 3.29Å; T173-F175 WeakPolarHBondContact O-CD2 3.33Å; T173-F175 PolarHBondContact O-N 3.49Å
176	P	52.9	Low	47.7	Very low	103 Å²	103	147.4 Å²	147.4	67%	0.669	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-64.6	147.3	169.1	29.7	-33.8	0	0	0	108.6	V174	V174-P176 VanDerWaalsContact O-CD 3.26Å; V174-P176 WeakPolarHBondContact O-CD 3.38Å
177	P	41	Very low	47.4	Very low	108 Å²	108	143.7 Å²	143.7	70%	0.701	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-59.6	144.1	170.2	27.6	-34.2	0	0	0	109.4	N179	P177-N179 PolarHBondContact O-N 3.33Å
178	P	56	Low	46.8	Very low	107 Å²	107	143 Å²	143	70%	0.695	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-60	136.1	173.7	26.2	-33.8	0	0	0	109.6	L180	P178-L180 PolarHBondContact O-N 3.24Å
179	N	47.3	Very low	46.3	Very low	166 Å²	166	146.2 Å²	146.2	89%	0.888	74%	0.735	S	S	*	*			trans	-69.6	92.5	176.3	-75.1	-48.7	0	0	0	109.7	P177	P177-N179 PolarHBondContact O-N 3.33Å
180	L	59.2	Low	46.1	Very low	101 Å²	101	147.5 Å²	147.5	53%	0.529	73%	0.734	S	S	.	*			trans	-65.5	140.2	172.9	-64.8	171.5	0	0	0	110.1	P178 Y184	P178-L180 PolarHBondContact O-N 3.24Å; L180-Y184 HydrophobicContact CB-CG 4.42Å; L180-Y184 HydrophobicContact CD1-CD1 3.81Å; L180-Y184 HydrophobicContact CD1-CD2 4.43Å; L180-Y184 HydrophobicContact CD1-CE1 4.12Å; L180-Y184 HydrophobicContact CD1-CG 3.97Å; L180-Y184 HydrophobicContact CD2-CD2 3.97Å; L180-Y184 HydrophobicContact CD2-CE2 4.18Å; L180-Y184 HydrophobicContact CD2-CG 4.28Å; L180-Y184 HydrophobicContact CG-CG 4.46Å
181	P	66.1	Low	45.6	Very low	97 Å²	97	152.1 Å²	152.1	63%	0.63	75%	0.745	S	S	*	*			trans	-55.5	154.5	168.7	-25.1	35.1	0	0	0	111.8	D183 Y184	P181-D183 PolarHBondContact O-N 3.35Å; P181-Y184 PolarHBondContact O-N 2.89Å
182	R	53.5	Low	45.1	Very low	249 Å²	249	148.3 Å²	148.3	94%	0.94	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-17.8	-172.8	-73.2	-173.2	171.2	-164.1	-2.1	114.7
183	D	49.1	Very low	44.9	Very low	142 Å²	142	146.6 Å²	146.6	76%	0.759	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	9.1	-172	-50.3	-70	0	0	0	113.7	P181 R185	P181-D183 PolarHBondContact O-N 3.35Å; D183-R185 PolarHBondContact O-N 2.58Å; D183-R185 VanDerWaalsContact O-N 3.16Å
184	Y	43.5	Very low	44.8	Very low	150 Å²	150	146.7 Å²	146.7	59%	0.588	74%	0.742	S	S	*	*			trans	-62.9	114.5	179	-173.4	-91.1	0	0	0	112.2	L180 P181	L180-Y184 HydrophobicContact CB-CG 4.42Å; L180-Y184 HydrophobicContact CD1-CD1 3.81Å; L180-Y184 HydrophobicContact CD1-CD2 4.43Å; L180-Y184 HydrophobicContact CD1-CE1 4.12Å; L180-Y184 HydrophobicContact CD1-CG 3.97Å; L180-Y184 HydrophobicContact CD2-CD2 3.97Å; L180-Y184 HydrophobicContact CD2-CE2 4.18Å; L180-Y184 HydrophobicContact CD2-CG 4.28Å; L180-Y184 HydrophobicContact CG-CG 4.46Å; P181-Y184 PolarHBondContact O-N 2.89Å
185	R	46.5	Very low	44.6	Very low	218 Å²	218	145.2 Å²	145.2	82%	0.823	73%	0.73	S	S	*	*			trans	-117.6	128.5	173.5	-65.7	-173.1	-179.9	-155.1	1.8	110.6	D183	D183-R185 PolarHBondContact O-N 2.58Å; D183-R185 VanDerWaalsContact O-N 3.16Å
186	P	36.4	Very low	45	Very low	101 Å²	101	139.5 Å²	139.5	66%	0.656	71%	0.709	S	S	*	*			trans	-73.4	128.7	173.5	29.8	-33	0	0	0	110.8
187	V	40.5	Very low	44.7	Very low	106 Å²	106	139.6 Å²	139.6	64%	0.642	71%	0.712	S	S	*	*			trans	-106.8	123.7	173.7	179.7	0	0	0	0	109.1	F189	V187-F189 HydrophobicContact CB-CD2 4.49Å; V187-F189 HydrophobicContact CB-CE2 4.14Å; V187-F189 HydrophobicContact CG1-CD2 4.08Å; V187-F189 HydrophobicContact CG1-CE2 3.76Å; V187-F189 HydrophobicContact CG1-CZ 4.24Å; V187-F189 PolarHBondContact O-N 3.39Å
188	H	32.6	Very low	45.1	Very low	175 Å²	175	144.7 Å²	144.7	81%	0.81	72%	0.717	S	S	*	*			trans	-80.2	105.6	173.4	-74.9	-87.9	0	0	0	110.3
189	F	35.2	Very low	44.7	Very low	186 Å²	186	144.5 Å²	144.5	82%	0.816	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-83	124.5	168.7	-79.2	-86.1	0	0	0	111.1	V187	V187-F189 HydrophobicContact CB-CD2 4.49Å; V187-F189 HydrophobicContact CB-CE2 4.14Å; V187-F189 HydrophobicContact CG1-CD2 4.08Å; V187-F189 HydrophobicContact CG1-CE2 3.76Å; V187-F189 HydrophobicContact CG1-CZ 4.24Å; V187-F189 PolarHBondContact O-N 3.39Å
190	F	38.8	Very low	44.7	Very low	198 Å²	198	143.2 Å²	143.2	87%	0.868	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-71.1	160.2	162.9	-82.5	-99.5	0	0	0	110.3
191	R	36.5	Very low	44.6	Very low	237 Å²	237	142.3 Å²	142.3	89%	0.894	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-61.8	140.6	176.6	-68.9	-180	175.7	175.3	-2.1	110.9
192	P	36.2	Very low	44.3	Very low	113 Å²	113	140.8 Å²	140.8	73%	0.734	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-67.1	155.5	171.1	30	-35.2	0	0	0	111.3
193	P	39.3	Very low	44.6	Very low	114 Å²	114	132.4 Å²	132.4	74%	0.74	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-70.6	147.5	177.6	30.3	-35.2	0	0	0	111.8
194	V	41.9	Very low	45.4	Very low	117 Å²	117	130.8 Å²	130.8	71%	0.709	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-78	124	166.5	179.9	0	0	0	0	108.8	V196	V194-V196 PolarHBondContact O-N 2.63Å
195	D	41.1	Very low	46.1	Very low	87 Å²	87	127 Å²	127	47%	0.465	69%	0.693	S	S	.	*			trans	-81.1	112.7	175.9	-179.5	14.6	0	0	0	110.3	S197	D195-S197 PolarHBondContact O-N 2.91Å; D195-S197 VanDerWaalsContact OD1-CB 3.24Å; D195-S197 WeakPolarHBondContact OD1-CB 3.27Å; D195-S197 PolarHBondContact OD1-N 2.71Å; D195-S197 PolarHBondContact OD1-OG 3.09Å
196	V	51	Low	46.5	Very low	55 Å²	55	121.1 Å²	121.1	33%	0.333	68%	0.677	S	S	.	*	G	3₁₀ helix	trans	-70.7	-15.6	-174.4	-164.1	0	0	0	0	111.5	V194 R198 L199	V194-V196 PolarHBondContact O-N 2.63Å; V196-R198 PolarHBondContact O-N 3.14Å; V196-R198 VanDerWaalsContact O-N 3.17Å; V196-L199 HydrophobicContact CG1-CD1 4.48Å; V196-L199 PolarHBondContact O-N 2.79Å
197	S	46.2	Very low	47.5	Very low	104 Å²	104	117.1 Å²	117.1	73%	0.727	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-65.6	-15.8	-176.6	-44.1	0	0	0	0	114.5	D195	D195-S197 PolarHBondContact O-N 2.91Å; D195-S197 VanDerWaalsContact OD1-CB 3.24Å; D195-S197 WeakPolarHBondContact OD1-CB 3.27Å; D195-S197 PolarHBondContact OD1-N 2.71Å; D195-S197 PolarHBondContact OD1-OG 3.09Å
198	R	49.1	Very low	48.1	Very low	216 Å²	216	118.4 Å²	118.4	82%	0.815	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-102	5.1	-175	-60.3	-170.9	-178.5	-153.2	-2.8	114.9	V196 C200	V196-R198 PolarHBondContact O-N 3.14Å; V196-R198 VanDerWaalsContact O-N 3.17Å; R198-C200 PolarHBondContact O-N 3.39Å; R198-C200 VanDerWaalsContact O-N 3.16Å
199	L	48.8	Very low	49.4	Very low	102 Å²	102	112.6 Å²	112.6	53%	0.534	63%	0.634	S	S	.	*			trans	-88.2	63.2	180	-73.6	170.8	0	0	0	112.9	V196 G201 V202	V196-L199 HydrophobicContact CG1-CD1 4.48Å; V196-L199 PolarHBondContact O-N 2.79Å; L199-G201 PolarHBondContact O-N 2.82Å; L199-V202 HydrophobicContact CB-CG2 3.98Å; L199-V202 PolarHBondContact O-N 3.29Å
200	C	46.6	Very low	50.3	Low	139 Å²	139	108 Å²	108	94%	0.939	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	118.3	171.7	-165.4	0	0	0	0	110.1	R198	R198-C200 PolarHBondContact O-N 3.39Å; R198-C200 VanDerWaalsContact O-N 3.16Å
201	G	57.9	Low	51	Low	83 Å²	83	106.6 Å²	106.6	86%	0.856	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	118.6	-3.1	-176.3	0	0	0	0	0	115.7	L199	L199-G201 PolarHBondContact O-N 2.82Å
202	V	59.4	Low	51.9	Low	64 Å²	64	100.1 Å²	100.1	39%	0.388	60%	0.598	S	S	.	*	S	Bend	trans	-90.6	140.1	174	178.2	0	0	0	0	110.9	L199 L206	L199-V202 HydrophobicContact CB-CG2 3.98Å; L199-V202 PolarHBondContact O-N 3.29Å; V202-L206 HydrophobicContact CG1-CB 4.02Å; V202-L206 HydrophobicContact CG1-CD2 3.94Å; V202-L206 HydrophobicContact CG1-CG 4.2Å
203	S	60.4	Low	52.6	Low	73 Å²	73	99.3 Å²	99.3	51%	0.51	60%	0.595	S	S	.	*			trans	-66.6	142.1	178.9	57.4	0	0	0	0	112.3	A205 L206 A207	S203-A205 VanDerWaalsContact C-N 3.31Å; S203-A205 PolarHBondContact O-N 2.87Å; S203-L206 PolarHBondContact O-N 3.46Å; S203-L206 VanDerWaalsContact O-N 3.08Å; S203-A207 PolarHBondContact O-N 3.46Å
204	P	64.6	Low	52.8	Low	108 Å²	108	102.1 Å²	102.1	70%	0.701	59%	0.59	S	S	*	*	H	α-helix	trans	-61	-35.8	-168.9	20.4	-32.2	0	0	0	113.7	L206 A207 E208	P204-L206 VanDerWaalsContact C-N 3.3Å; P204-L206 PolarHBondContact O-N 2.81Å; P204-A207 WeakPolarHBondContact O-CB 3.4Å; P204-A207 PolarHBondContact O-N 2.75Å; P204-A207 VanDerWaalsContact O-N 3.15Å; P204-E208 PolarHBondContact O-N 3.49Å
205	A	59.3	Low	52.6	Low	71 Å²	71	99.8 Å²	99.8	59%	0.587	59%	0.59	S	S	*	*	H	α-helix	trans	-60.7	-34.6	177.7	0	0	0	0	0	113.4	S203 E208 A209	S203-A205 VanDerWaalsContact C-N 3.31Å; S203-A205 PolarHBondContact O-N 2.87Å; A205-E208 PolarHBondContact O-N 3.4Å; A205-A209 PolarHBondContact O-N 3.42Å; A205-A209 VanDerWaalsContact O-N 3.09Å
206	L	54.5	Low	52.4	Low	95 Å²	95	104.5 Å²	104.5	50%	0.497	61%	0.609	S	S	.	*	H	α-helix	trans	-74.4	-35.5	176.6	-175.6	58.7	0	0	0	111.4	V202 S203 P204 E208 L210	V202-L206 HydrophobicContact CG1-CB 4.02Å; V202-L206 HydrophobicContact CG1-CD2 3.94Å; V202-L206 HydrophobicContact CG1-CG 4.2Å; S203-L206 PolarHBondContact O-N 3.46Å; S203-L206 VanDerWaalsContact O-N 3.08Å; P204-L206 VanDerWaalsContact C-N 3.3Å; P204-L206 PolarHBondContact O-N 2.81Å; L206-E208 VanDerWaalsContact C-N 3.29Å; L206-E208 PolarHBondContact O-N 3.2Å; L206-L210 HydrophobicContact CG-CD1 4.43Å; L206-L210 VanDerWaalsContact O-CG 3.29Å; L206-L210 WeakPolarHBondContact O-CG 3.39Å; L206-L210 PolarHBondContact O-N 3.07Å; L206-L210 VanDerWaalsContact O-N 3.17Å
207	A	56.8	Low	51.3	Low	17 Å²	17	110.6 Å²	110.6	14%	0.14	64%	0.636	C	S	.	*	H	α-helix	trans	-66.2	-31.9	172.7	0	0	0	0	0	112.2	S203 P204 R211	S203-A207 PolarHBondContact O-N 3.46Å; P204-A207 WeakPolarHBondContact O-CB 3.4Å; P204-A207 PolarHBondContact O-N 2.75Å; P204-A207 VanDerWaalsContact O-N 3.15Å; A207-R211 WeakPolarHBondContact O-CG 3.46Å; A207-R211 PolarHBondContact O-N 3.19Å; A207-R211 PolarHBondContact O-NH1 2.88Å
208	E	54.8	Low	50.7	Low	132 Å²	132	111.5 Å²	111.5	62%	0.617	64%	0.637	S	S	*	*	H	α-helix	trans	-72.3	-45.9	177	-167.4	157.7	-135.2	0	0	112.4	P204 A205 L206 L210 R211 S212	P204-E208 PolarHBondContact O-N 3.49Å; A205-E208 PolarHBondContact O-N 3.4Å; L206-E208 VanDerWaalsContact C-N 3.29Å; L206-E208 PolarHBondContact O-N 3.2Å; E208-L210 PolarHBondContact O-N 2.7Å; E208-R211 PolarHBondContact O-N 3.29Å; E208-S212 PolarHBondContact O-N 2.75Å; E208-S212 VanDerWaalsContact O-N 3.12Å; E208-S212 PolarHBondContact O-OG 3.26Å
209	A	59.4	Low	50.1	Low	54 Å²	54	110.9 Å²	110.9	45%	0.446	64%	0.64	S	S	.	*	H	α-helix	trans	-58.8	-33.1	172.7	0	0	0	0	0	113.3	A205 R211 S212 S213	A205-A209 PolarHBondContact O-N 3.42Å; A205-A209 VanDerWaalsContact O-N 3.09Å; A209-R211 VanDerWaalsContact C-N 3.35Å; A209-S212 PolarHBondContact O-OG 3.46Å; A209-S213 PolarHBondContact O-N 3.47Å
210	L	54.8	Low	49.3	Very low	90 Å²	90	115 Å²	115	47%	0.471	66%	0.657	S	S	.	*	H	α-helix	trans	-75.5	-19.3	175.6	-71.8	170.7	0	0	0	113.8	L206 E208	L206-L210 HydrophobicContact CG-CD1 4.43Å; L206-L210 VanDerWaalsContact O-CG 3.29Å; L206-L210 WeakPolarHBondContact O-CG 3.39Å; L206-L210 PolarHBondContact O-N 3.07Å; L206-L210 VanDerWaalsContact O-N 3.17Å; E208-L210 PolarHBondContact O-N 2.7Å
211	R	52.9	Low	48.7	Very low	168 Å²	168	117.5 Å²	117.5	63%	0.634	66%	0.655	S	S	*	*	H	α-helix	trans	-82.5	-47.1	173.4	-70.3	175.9	-161	110.3	-0.5	111.4	A207 E208 A209 S213 R214	A207-R211 WeakPolarHBondContact O-CG 3.46Å; A207-R211 PolarHBondContact O-N 3.19Å; A207-R211 PolarHBondContact O-NH1 2.88Å; E208-R211 PolarHBondContact O-N 3.29Å; A209-R211 VanDerWaalsContact C-N 3.35Å; R211-S213 PolarHBondContact O-N 2.87Å; R211-R214 PolarHBondContact O-N 2.9Å
212	S	54.3	Low	47.8	Very low	101 Å²	101	118.4 Å²	118.4	71%	0.706	65%	0.654	S	S	*	*	H	α-helix	trans	-64.3	-23.5	179.7	57.5	0	0	0	0	113.5	E208 A209 R214	E208-S212 PolarHBondContact O-N 2.75Å; E208-S212 VanDerWaalsContact O-N 3.12Å; E208-S212 PolarHBondContact O-OG 3.26Å; A209-S212 PolarHBondContact O-OG 3.46Å; S212-R214 VanDerWaalsContact C-N 3.3Å; S212-R214 PolarHBondContact O-N 3.47Å
213	S	51.1	Low	46.8	Very low	96 Å²	96	124.4 Å²	124.4	67%	0.671	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-9.8	176.7	-174.4	0	0	0	0	115.4	A209 R211 G215	A209-S213 PolarHBondContact O-N 3.47Å; R211-S213 PolarHBondContact O-N 2.87Å; S213-G215 PolarHBondContact O-N 2.65Å
214	R	44.5	Very low	45.9	Very low	172 Å²	172	130.7 Å²	130.7	65%	0.649	70%	0.699	S	S	*	*			trans	-93.6	80.9	-179.5	-71.6	-168	179.9	-176.8	3.2	111.7	R211 S212	R211-R214 PolarHBondContact O-N 2.9Å; S212-R214 VanDerWaalsContact C-N 3.3Å; S212-R214 PolarHBondContact O-N 3.47Å
215	G	37	Very low	44.9	Very low	69 Å²	69	128.6 Å²	128.6	71%	0.711	70%	0.697	S	S	*	*			trans	-61.1	148.9	171.6	0	0	0	0	0	113.1	S213	S213-G215 PolarHBondContact O-N 2.65Å
216	H	36.3	Very low	44.4	Very low	186 Å²	186	128.4 Å²	128.4	86%	0.861	69%	0.692	S	S	*	*			trans	-60.8	132.9	176.8	-103.8	-69.5	0	0	0	111.9
217	M	28.6	Very low	44.2	Very low	182 Å²	182	134.3 Å²	134.3	90%	0.897	71%	0.707	S	S	*	*			trans	-113.5	132.7	145.1	-74.4	-169.7	72.1	0	0	108.2
218	V	32.8	Very low	43.8	Very low	123 Å²	123	141.6 Å²	141.6	75%	0.745	74%	0.738	S	S	*	*			trans	-83.1	147.6	178.5	176.2	0	0	0	0	109.2
219	K	37.3	Very low	43.7	Very low	203 Å²	203	142.8 Å²	142.8	88%	0.883	74%	0.744	S	S	*	*			trans	-78.9	127.6	166.8	-79.6	-176.6	174.1	-178.5	0	109.4
220	E	31.8	Very low	43.9	Very low	190 Å²	190	143.3 Å²	143.3	89%	0.888	74%	0.739	S	S	*	*			trans	-120.9	158.6	154.4	-72.9	-161.5	131.9	0	0	110.1
221	E	33.8	Very low	44	Very low	190 Å²	190	143.9 Å²	143.9	89%	0.888	74%	0.742	S	S	*	*			trans	-94.4	167	-165.3	-60.3	-168.7	127.1	0	0	113.9	Q223	E221-Q223 PolarHBondContact O-N 3.38Å; E221-Q223 VanDerWaalsContact O-N 3.17Å
222	A	39.9	Very low	44.2	Very low	102 Å²	102	139.9 Å²	139.9	84%	0.843	74%	0.74	S	S	*	*			trans	-76.5	103.8	-169.3	0	0	0	0	0	113.3
223	Q	38.6	Very low	44.7	Very low	190 Å²	190	137.3 Å²	137.3	89%	0.888	73%	0.73	S	S	*	*			trans	-80.2	133	164.4	-68.1	-167	0.6	0	0	111.9	E221 G225	E221-Q223 PolarHBondContact O-N 3.38Å; E221-Q223 VanDerWaalsContact O-N 3.17Å; Q223-G225 PolarHBondContact O-N 2.66Å
224	Q	40.6	Very low	45.3	Very low	206 Å²	206	137.8 Å²	137.8	96%	0.963	72%	0.721	S	S	*	*			trans	-82.9	94.3	-179	-67.3	172.8	-38.9	0	0	110.9
225	G	44.2	Very low	46.2	Very low	64 Å²	64	135.9 Å²	135.9	66%	0.66	71%	0.714	S	S	*	*			trans	-150.5	146	177	0	0	0	0	0	113.2	Q223	Q223-G225 PolarHBondContact O-N 2.66Å
226	S	48.3	Very low	47.2	Very low	67 Å²	67	133.2 Å²	133.2	47%	0.469	69%	0.686	S	S	.	*			trans	-76.1	127.3	175.3	-179	0	0	0	0	110.3	H228 Q229	S226-H228 PolarHBondContact O-N 3.22Å; S226-Q229 PolarHBondContact O-N 2.66Å
227	R	49.8	Very low	48.3	Very low	219 Å²	219	126.4 Å²	126.4	83%	0.826	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.1	-13.5	-178.6	-167.2	173.9	-178.7	-177.9	1.7	114.4
228	H	48.5	Very low	49.8	Very low	169 Å²	169	124 Å²	124	78%	0.782	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-0.1	177.7	-61.4	-72	0	0	0	114.9	S226	S226-H228 PolarHBondContact O-N 3.22Å
229	Q	53.6	Low	50.9	Low	158 Å²	158	124.3 Å²	124.3	74%	0.738	65%	0.649	S	S	*	*	S	Bend	trans	-100.1	-10.2	-179.7	-71.1	178.5	-50.4	0	0	114.9	S226	S226-Q229 PolarHBondContact O-N 2.66Å
230	L	62.6	Low	51.6	Low	65 Å²	65	117.9 Å²	117.9	34%	0.34	64%	0.641	S	S	.	*	S	Bend	trans	-80.4	136.7	179.7	-62.6	175.4	0	0	0	111.7	Q234 R235 L238	L230-Q234 HydrophobicContact CB-CB 4.33Å; L230-R235 HydrophobicContact CB-CG 4.22Å; L230-R235 VanDerWaalsContact O-CZ 3.24Å; L230-R235 PolarHBondContact O-NE 2.74Å; L230-R235 PolarHBondContact O-NH2 3.23Å; L230-L238 HydrophobicContact CD1-CD1 3.69Å
231	D	58.2	Low	53.2	Low	102 Å²	102	115.5 Å²	115.5	55%	0.545	63%	0.63	S	S	.	*			trans	-73.3	162	175.5	-173.8	26.1	0	0	0	112.3	G233 Q234 R235	D231-G233 PolarHBondContact O-N 2.88Å; D231-Q234 WeakPolarHBondContact O-CB 3.33Å; D231-Q234 PolarHBondContact O-N 3.42Å; D231-Q234 VanDerWaalsContact O-N 3.12Å; D231-R235 WeakPolarHBondContact O-CG 3.43Å; D231-R235 PolarHBondContact O-N 3.14Å
232	S	56.8	Low	53.7	Low	84 Å²	84	111.9 Å²	111.9	59%	0.587	62%	0.617	S	S	*	*	H	α-helix	trans	-43.5	-54.5	174.4	54.6	0	0	0	0	113.8	Q234 R235 G236	S232-Q234 PolarHBondContact O-N 2.86Å; S232-R235 PolarHBondContact O-N 3.28Å; S232-R235 VanDerWaalsContact O-N 3.16Å; S232-G236 PolarHBondContact O-N 2.86Å
233	G	64.6	Low	54	Low	47 Å²	47	111.3 Å²	111.3	49%	0.485	61%	0.612	S	S	.	*	H	α-helix	trans	-62.4	-39.5	178	0	0	0	0	0	113.4	D231 R235 G236 A237	D231-G233 PolarHBondContact O-N 2.88Å; G233-R235 PolarHBondContact O-N 2.94Å; G233-G236 PolarHBondContact O-N 2.83Å; G233-G236 VanDerWaalsContact O-N 3.11Å; G233-A237 PolarHBondContact O-N 3.03Å
234	Q	63.1	Low	54.1	Low	106 Å²	106	110.8 Å²	110.8	50%	0.495	61%	0.614	S	S	.	*	H	α-helix	trans	-66.2	-26.8	176.9	-64.6	173.4	-25.9	0	0	112.6	L230 D231 S232 L238	L230-Q234 HydrophobicContact CB-CB 4.33Å; D231-Q234 WeakPolarHBondContact O-CB 3.33Å; D231-Q234 PolarHBondContact O-N 3.42Å; D231-Q234 VanDerWaalsContact O-N 3.12Å; S232-Q234 PolarHBondContact O-N 2.86Å; Q234-L238 PolarHBondContact O-N 3.43Å
235	R	62.6	Low	53.9	Low	131 Å²	131	110 Å²	110	49%	0.494	61%	0.61	S	S	.	*	H	α-helix	trans	-78.7	-32.6	171.9	-62.7	176.6	-145.7	170.1	7.3	112.4	L230 D231 S232 G233 L239	L230-R235 HydrophobicContact CB-CG 4.22Å; L230-R235 VanDerWaalsContact O-CZ 3.24Å; L230-R235 PolarHBondContact O-NE 2.74Å; L230-R235 PolarHBondContact O-NH2 3.23Å; D231-R235 WeakPolarHBondContact O-CG 3.43Å; D231-R235 PolarHBondContact O-N 3.14Å; S232-R235 PolarHBondContact O-N 3.28Å; S232-R235 VanDerWaalsContact O-N 3.16Å; G233-R235 PolarHBondContact O-N 2.94Å; R235-L239 WeakPolarHBondContact O-CG 3.18Å; R235-L239 PolarHBondContact O-N 2.85Å
236	G	59.6	Low	53.3	Low	13 Å²	13	110.6 Å²	110.6	13%	0.134	62%	0.616	C	S	.	*	H	α-helix	trans	-60.9	-53.8	172.7	0	0	0	0	0	111.4	S232 G233 L238 L239 G240 E241	S232-G236 PolarHBondContact O-N 2.86Å; G233-G236 PolarHBondContact O-N 2.83Å; G233-G236 VanDerWaalsContact O-N 3.11Å; G236-L238 VanDerWaalsContact C-N 3.31Å; G236-L238 PolarHBondContact O-N 3.24Å; G236-L239 CarbonylContact O-C 3.58Å; G236-L239 WeakPolarHBondContact O-CA 3.3Å; G236-L239 PolarHBondContact O-N 3.4Å; G236-G240 PolarHBondContact O-N 3.5Å; G236-E241 PolarHBondContact O-N 2.74Å
237	A	58.4	Low	52.5	Low	44 Å²	44	113 Å²	113	36%	0.364	63%	0.633	S	S	.	*	H	α-helix	trans	-53.5	-45.2	175.5	0	0	0	0	0	112.7	G233 L239 G240 D242	G233-A237 PolarHBondContact O-N 3.03Å; A237-L239 PolarHBondContact O-N 2.86Å; A237-G240 PolarHBondContact O-N 3Å; A237-D242 WeakPolarHBondContact CB-OD2 3.2Å
238	L	60.4	Low	52.3	Low	132 Å²	132	107 Å²	107	69%	0.691	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-11.8	176.7	-85.2	169.4	0	0	0	115.2	L230 Q234 G236	L230-L238 HydrophobicContact CD1-CD1 3.69Å; Q234-L238 PolarHBondContact O-N 3.43Å; G236-L238 VanDerWaalsContact C-N 3.31Å; G236-L238 PolarHBondContact O-N 3.24Å
239	L	56.8	Low	52.1	Low	128 Å²	128	104.8 Å²	104.8	67%	0.67	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	-1.4	172.9	-68.2	170.9	0	0	0	112.6	R235 G236 A237 E241	R235-L239 WeakPolarHBondContact O-CG 3.18Å; R235-L239 PolarHBondContact O-N 2.85Å; G236-L239 CarbonylContact O-C 3.58Å; G236-L239 WeakPolarHBondContact O-CA 3.3Å; G236-L239 PolarHBondContact O-N 3.4Å; A237-L239 PolarHBondContact O-N 2.86Å; L239-E241 VanDerWaalsContact C-N 3.31Å; L239-E241 HydrophobicContact CB-CG 3.99Å
240	G	51.7	Low	51.5	Low	69 Å²	69	100.2 Å²	100.2	71%	0.711	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	77.1	15.3	-172	0	0	0	0	0	113.8	G236 A237 D242	G236-G240 PolarHBondContact O-N 3.5Å; A237-G240 PolarHBondContact O-N 3Å; G240-D242 VanDerWaalsContact C-N 3.29Å; G240-D242 PolarHBondContact O-N 3.01Å
241	E	64.2	Low	50.6	Low	140 Å²	140	101 Å²	101	65%	0.654	65%	0.647	S	S	*	*			trans	-91.9	31.5	-178.2	-60.3	179.9	-153.7	0	0	112.7	G236 L239	G236-E241 PolarHBondContact O-N 2.74Å; L239-E241 VanDerWaalsContact C-N 3.31Å; L239-E241 HydrophobicContact CB-CG 3.99Å
242	D	45.5	Very low	50.2	Low	114 Å²	114	100.1 Å²	100.1	61%	0.61	66%	0.662	S	S	*	*			trans	-72.5	130.8	172.2	-85.2	-36.2	0	0	0	111	A237 G240 L244	A237-D242 WeakPolarHBondContact CB-OD2 3.2Å; G240-D242 VanDerWaalsContact C-N 3.29Å; G240-D242 PolarHBondContact O-N 3.01Å; D242-L244 PolarHBondContact O-N 3.35Å
243	A	45.3	Very low	50.2	Low	89 Å²	89	98.7 Å²	98.7	74%	0.736	65%	0.653	S	S	*	*			trans	-66.9	131.6	-176.8	0	0	0	0	0	111.6	Q245	A243-Q245 VanDerWaalsContact C-N 3.31Å; A243-Q245 PolarHBondContact O-N 3.28Å
244	L	41.2	Very low	49.7	Very low	179 Å²	179	101.7 Å²	101.7	94%	0.937	66%	0.661	S	S	*	*			trans	-66.5	79.5	-178.2	-75	169.2	0	0	0	113.5	D242	D242-L244 PolarHBondContact O-N 3.35Å
245	Q	35.7	Very low	49.6	Very low	190 Å²	190	99.5 Å²	99.5	89%	0.888	65%	0.652	S	S	*	*			trans	-90	123.3	151.9	-58.9	-175.2	18.1	0	0	108.3	A243	A243-Q245 VanDerWaalsContact C-N 3.31Å; A243-Q245 PolarHBondContact O-N 3.28Å
246	G	32.4	Very low	49.6	Very low	76 Å²	76	96.5 Å²	96.5	78%	0.784	65%	0.646	S	S	*	*			cis	173.4	103	-8.2	0	0	0	0	0	111.3
247	S	32.1	Very low	50.1	Low	117 Å²	117	102.1 Å²	102.1	82%	0.818	67%	0.672	S	S	*	*			trans	-131.8	135.2	164.3	61	0	0	0	0	109.1	S249	S247-S249 PolarHBondContact O-N 3.16Å
248	G	44.6	Very low	50.6	Low	93 Å²	93	103.4 Å²	103.4	96%	0.959	67%	0.672	S	S	*	*	S	Bend	trans	-78.6	82.3	-156.1	0	0	0	0	0	115.7
249	S	44.8	Very low	51.1	Low	123 Å²	123	105.9 Å²	105.9	86%	0.86	67%	0.672	S	S	*	*			trans	-159.6	32.4	159.4	-168.2	0	0	0	0	114	S247	S247-S249 PolarHBondContact O-N 3.16Å
250	G	40.4	Very low	51.7	Low	62 Å²	62	104.2 Å²	104.2	64%	0.639	67%	0.669	S	S	*	*	S	Bend	trans	-91.2	142.4	171.4	0	0	0	0	0	112.2	G252	G250-G252 PolarHBondContact O-N 3.06Å; G250-G252 VanDerWaalsContact O-N 3.08Å
251	P	44.1	Very low	52.6	Low	81 Å²	81	106.3 Å²	106.3	53%	0.526	66%	0.66	S	S	.	*			trans	-67.9	105.4	-176.7	25.6	-33.4	0	0	0	112.4	S253 D256 L257	P251-S253 PolarHBondContact O-N 3.47Å; P251-D256 HydrophobicContact CB-CB 3.51Å; P251-L257 HydrophobicContact CB-CD2 4.25Å; P251-L257 HydrophobicContact CG-CD2 3.8Å
252	G	49.7	Very low	52.8	Low	84 Å²	84	102.6 Å²	102.6	87%	0.866	65%	0.645	S	S	*	*			trans	-76.7	0.1	176.8	0	0	0	0	0	114.8	G250	G250-G252 PolarHBondContact O-N 3.06Å; G250-G252 VanDerWaalsContact O-N 3.08Å
253	S	56.8	Low	54.5	Low	55 Å²	55	101.5 Å²	101.5	39%	0.385	63%	0.632	S	S	.	*	S	Bend	trans	-139.2	146.4	178.3	-166	0	0	0	0	112.2	P251 M255 D256	P251-S253 PolarHBondContact O-N 3.47Å; S253-M255 PolarHBondContact O-N 3.43Å; S253-M255 VanDerWaalsContact O-N 3.15Å; S253-M255 PolarHBondContact OG-N 3.46Å; S253-D256 WeakPolarHBondContact CB-OD2 3.23Å; S253-D256 PolarHBondContact N-OD2 3.22Å; S253-D256 WeakPolarHBondContact O-CB 3.24Å; S253-D256 PolarHBondContact O-N 3.07Å
254	V	55.3	Low	55.7	Low	109 Å²	109	103.9 Å²	103.9	66%	0.661	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-57.4	-26.8	168.6	-179.7	0	0	0	0	111.4	D256 L257	V254-D256 PolarHBondContact O-N 2.82Å; V254-L257 PolarHBondContact O-N 3.09Å; V254-L257 VanDerWaalsContact O-N 3.11Å
255	M	60.8	Low	57.2	Low	60 Å²	60	102.9 Å²	102.9	30%	0.296	61%	0.612	S	S	.	*	G	3₁₀ helix	trans	-65.7	-18.1	174.8	-62.3	-58.5	-58.3	0	0	114	S253 L258 R263 L266	S253-M255 PolarHBondContact O-N 3.43Å; S253-M255 VanDerWaalsContact O-N 3.15Å; S253-M255 PolarHBondContact OG-N 3.46Å; M255-L258 HydrophobicContact CE-CD1 4.12Å; M255-L258 HydrophobicContact SD-CD1 4Å; M255-R263 HydrophobicContact CE-CG 4.18Å; M255-R263 WeakPolarHBondContact O-CD 3.14Å; M255-R263 PolarHBondContact O-NH1 3.4Å; M255-L266 HydrophobicContact CE-CB 4.1Å; M255-L266 HydrophobicContact CE-CD1 4.04Å; M255-L266 HydrophobicContact SD-CD1 4.48Å
256	D	62.5	Low	59	Low	69 Å²	69	98 Å²	98	37%	0.369	59%	0.591	S	S	.	*	G	3₁₀ helix	trans	-88.8	-10.5	175.7	-55.9	-53.1	0	0	0	112.9	P251 S253 V254 R263	P251-D256 HydrophobicContact CB-CB 3.51Å; S253-D256 WeakPolarHBondContact CB-OD2 3.23Å; S253-D256 PolarHBondContact N-OD2 3.22Å; S253-D256 WeakPolarHBondContact O-CB 3.24Å; S253-D256 PolarHBondContact O-N 3.07Å; V254-D256 PolarHBondContact O-N 2.82Å; D256-R263 IonicContact OD1-CZ 3.45Å; D256-R263 IonicContact OD1-NH1 2.87Å; D256-R263 PolarHBondContact OD1-NH1 2.81Å; D256-R263 IonicContact OD1-NH2 3.52Å; D256-R263 PolarHBondContact OD1-NH2 3.28Å
257	L	69.6	Low	61	Low	130 Å²	130	98.3 Å²	98.3	68%	0.681	58%	0.575	S	S	*	*	S	Bend	trans	-93.2	-5.8	173.4	-58.7	175.7	0	0	0	112.8	P251 V254	P251-L257 HydrophobicContact CB-CD2 4.25Å; P251-L257 HydrophobicContact CG-CD2 3.8Å; V254-L257 PolarHBondContact O-N 3.09Å; V254-L257 VanDerWaalsContact O-N 3.11Å
258	L	69.6	Low	62.9	Low	71 Å²	71	96 Å²	96	37%	0.372	56%	0.558	S	S	.	*	S	Bend	trans	-89.1	152.1	177.9	-66.8	176.4	0	0	0	111.8	M255 L266	M255-L258 HydrophobicContact CE-CD1 4.12Å; M255-L258 HydrophobicContact SD-CD1 4Å; L258-L266 HydrophobicContact CD1-CD1 3.71Å
259	R	69.3	Low	64	Low	185 Å²	185	97.3 Å²	97.3	70%	0.698	54%	0.543	S	S	*	.			trans	-64.1	150	175	-65.3	-177.3	179.4	176.3	0.2	111.3	E261 D262 R263	R259-E261 VanDerWaalsContact C-N 3.28Å; R259-E261 WeakPolarHBondContact CB-OE2 3.15Å; R259-E261 PolarHBondContact O-N 3.16Å; R259-D262 PolarHBondContact O-N 3.46Å; R259-R263 WeakPolarHBondContact O-CB 3.38Å; R259-R263 PolarHBondContact O-N 3.15Å
260	P	69.5	Low	65	Low	93 Å²	93	100.7 Å²	100.7	60%	0.604	54%	0.537	S	S	*	.	H	α-helix	trans	-55.9	-38.5	-176.1	-26.8	36	0	0	0	114.2	Q264	P260-Q264 WeakPolarHBondContact O-CB 3.47Å; P260-Q264 WeakPolarHBondContact O-CG 3.29Å; P260-Q264 PolarHBondContact O-N 2.89Å
261	E	72.2	Confident	66.3	Low	113 Å²	113	101.4 Å²	101.4	53%	0.528	53%	0.529	S	S	.	.	H	α-helix	trans	-67.7	-43.7	-179	-51.9	86.3	167.6	0	0	111.6	R259 Q264 R265	R259-E261 VanDerWaalsContact C-N 3.28Å; R259-E261 WeakPolarHBondContact CB-OE2 3.15Å; R259-E261 PolarHBondContact O-N 3.16Å; E261-Q264 PolarHBondContact O-N 2.86Å; E261-R265 WeakPolarHBondContact O-CG 3.42Å; E261-R265 PolarHBondContact O-N 2.8Å
262	D	67.8	Low	67.2	Low	62 Å²	62	100.4 Å²	100.4	33%	0.332	53%	0.527	S	S	.	.	H	α-helix	trans	-74.3	-34.5	-179.4	-62.3	-42.1	0	0	0	111.4	R259 Q264 R265 L266	R259-D262 PolarHBondContact O-N 3.46Å; D262-Q264 VanDerWaalsContact C-N 3.35Å; D262-R265 PolarHBondContact O-N 2.9Å; D262-R265 IonicContact OD1-NH1 2.84Å; D262-R265 PolarHBondContact OD1-NH1 3.5Å; D262-L266 WeakPolarHBondContact O-CG 3.17Å; D262-L266 PolarHBondContact O-N 3.25Å
263	R	81.4	Confident	67.5	Low	90 Å²	90	100.5 Å²	100.5	34%	0.34	52%	0.52	S	S	.	.	H	α-helix	trans	-59.5	-44.5	168.2	-174.5	179.1	-172.2	147.2	7.1	111.2	M255 D256 R259 L267	M255-R263 HydrophobicContact CE-CG 4.18Å; M255-R263 WeakPolarHBondContact O-CD 3.14Å; M255-R263 PolarHBondContact O-NH1 3.4Å; D256-R263 IonicContact OD1-CZ 3.45Å; D256-R263 IonicContact OD1-NH1 2.87Å; D256-R263 PolarHBondContact OD1-NH1 2.81Å; D256-R263 IonicContact OD1-NH2 3.52Å; D256-R263 PolarHBondContact OD1-NH2 3.28Å; R259-R263 WeakPolarHBondContact O-CB 3.38Å; R259-R263 PolarHBondContact O-N 3.15Å; R263-L267 HydrophobicContact CG-CD1 4.15Å; R263-L267 WeakPolarHBondContact O-CB 3.35Å; R263-L267 VanDerWaalsContact O-CG 3.26Å; R263-L267 WeakPolarHBondContact O-CG 3.49Å; R263-L267 PolarHBondContact O-N 3.22Å; R263-L267 VanDerWaalsContact O-N 3.07Å
264	Q	69.3	Low	67.3	Low	139 Å²	139	101.8 Å²	101.8	65%	0.65	53%	0.534	S	S	*	.	H	α-helix	trans	-66.5	-40.4	176.3	-78.6	-176.8	-12.5	0	0	112.6	P260 E261 D262 L267 S268	P260-Q264 WeakPolarHBondContact O-CB 3.47Å; P260-Q264 WeakPolarHBondContact O-CG 3.29Å; P260-Q264 PolarHBondContact O-N 2.89Å; E261-Q264 PolarHBondContact O-N 2.86Å; D262-Q264 VanDerWaalsContact C-N 3.35Å; Q264-L267 PolarHBondContact O-N 1.94Å; Q264-S268 WeakPolarHBondContact O-CB 3.34Å; Q264-S268 PolarHBondContact O-N 3.5Å; Q264-S268 PolarHBondContact O-OG 2.87Å
265	R	74.1	Confident	66.9	Low	159 Å²	159	103.9 Å²	103.9	60%	0.6	54%	0.536	S	S	*	.	H	α-helix	trans	-60.5	-44.1	174.7	-76.3	168.1	168.1	165.4	-5.7	113	E261 D262 L267 S268 L269	E261-R265 WeakPolarHBondContact O-CG 3.42Å; E261-R265 PolarHBondContact O-N 2.8Å; D262-R265 PolarHBondContact O-N 2.9Å; D262-R265 IonicContact OD1-NH1 2.84Å; D262-R265 PolarHBondContact OD1-NH1 3.5Å; R265-L267 VanDerWaalsContact C-N 3.32Å; R265-S268 PolarHBondContact O-N 2.87Å; R265-S268 PolarHBondContact O-OG 2.9Å; R265-S268 VanDerWaalsContact O-OG 3.06Å; R265-L269 WeakPolarHBondContact O-CG 3.05Å; R265-L269 PolarHBondContact O-N 3.01Å
266	L	72.4	Confident	65.8	Low	87 Å²	87	109 Å²	109	46%	0.455	56%	0.561	S	S	.	*	H	α-helix	trans	-68	-34	177.4	-70.4	170.8	0	0	0	111.9	M255 L258 D262 R270	M255-L266 HydrophobicContact CE-CB 4.1Å; M255-L266 HydrophobicContact CE-CD1 4.04Å; M255-L266 HydrophobicContact SD-CD1 4.48Å; L258-L266 HydrophobicContact CD1-CD1 3.71Å; D262-L266 WeakPolarHBondContact O-CG 3.17Å; D262-L266 PolarHBondContact O-N 3.25Å; L266-R270 WeakPolarHBondContact O-CB 3.47Å; L266-R270 PolarHBondContact O-N 3.34Å
267	L	74.3	Confident	64.7	Low	83 Å²	83	111.2 Å²	111.2	44%	0.435	58%	0.58	S	S	.	*	H	α-helix	trans	-71.4	-40.1	173.8	-71.1	170	0	0	0	112.4	R263 Q264 R265 R270 T271	R263-L267 HydrophobicContact CG-CD1 4.15Å; R263-L267 WeakPolarHBondContact O-CB 3.35Å; R263-L267 VanDerWaalsContact O-CG 3.26Å; R263-L267 WeakPolarHBondContact O-CG 3.49Å; R263-L267 PolarHBondContact O-N 3.22Å; R263-L267 VanDerWaalsContact O-N 3.07Å; Q264-L267 PolarHBondContact O-N 1.94Å; R265-L267 VanDerWaalsContact C-N 3.32Å; L267-R270 WeakPolarHBondContact O-CB 3.32Å; L267-R270 PolarHBondContact O-N 3.04Å; L267-T271 PolarHBondContact O-N 3.14Å; L267-T271 PolarHBondContact O-OG1 3.27Å
268	S	71.9	Confident	63.4	Low	67 Å²	67	110.5 Å²	110.5	47%	0.469	59%	0.586	S	S	.	*	H	α-helix	trans	-69.6	-37.1	179.5	65.4	0	0	0	0	112.8	Q264 R265 R270 T271 A272	Q264-S268 WeakPolarHBondContact O-CB 3.34Å; Q264-S268 PolarHBondContact O-N 3.5Å; Q264-S268 PolarHBondContact O-OG 2.87Å; R265-S268 PolarHBondContact O-N 2.87Å; R265-S268 PolarHBondContact O-OG 2.9Å; R265-S268 VanDerWaalsContact O-OG 3.06Å; S268-R270 VanDerWaalsContact C-N 3.3Å; S268-R270 PolarHBondContact O-N 3.33Å; S268-T271 WeakPolarHBondContact CA-OG1 3.05Å; S268-T271 PolarHBondContact O-N 2.86Å; S268-T271 PolarHBondContact O-OG1 2.78Å; S268-T271 VanDerWaalsContact O-OG1 3.08Å; S268-A272 VanDerWaalsContact O-CB 3.31Å; S268-A272 WeakPolarHBondContact O-CB 3.27Å; S268-A272 PolarHBondContact O-N 3.12Å
269	L	69.3	Low	61.8	Low	121 Å²	121	115.4 Å²	115.4	63%	0.634	61%	0.607	S	S	*	*	H	α-helix	trans	-61.2	-39.8	169.1	-71.9	168.9	0	0	0	111.4	R265 A273	R265-L269 WeakPolarHBondContact O-CG 3.05Å; R265-L269 PolarHBondContact O-N 3.01Å; L269-A273 WeakPolarHBondContact O-CB 3.28Å; L269-A273 PolarHBondContact O-N 3.09Å
270	R	64.3	Low	60	Low	194 Å²	194	113.8 Å²	113.8	73%	0.732	61%	0.612	S	S	*	*	H	α-helix	trans	-70.8	-34.1	178.4	-169.3	174.9	-176.3	173.4	1.7	113.3	L266 L267 S268 A274	L266-R270 WeakPolarHBondContact O-CB 3.47Å; L266-R270 PolarHBondContact O-N 3.34Å; L267-R270 WeakPolarHBondContact O-CB 3.32Å; L267-R270 PolarHBondContact O-N 3.04Å; S268-R270 VanDerWaalsContact C-N 3.3Å; S268-R270 PolarHBondContact O-N 3.33Å; R270-A274 PolarHBondContact O-N 2.83Å
271	T	68.4	Low	58.5	Low	77 Å²	77	114.7 Å²	114.7	47%	0.472	63%	0.627	S	S	.	*	H	α-helix	trans	-76.1	-37.3	173.7	51.8	0	0	0	0	112.2	L267 S268 A273 A274 Q275	L267-T271 PolarHBondContact O-N 3.14Å; L267-T271 PolarHBondContact O-OG1 3.27Å; S268-T271 WeakPolarHBondContact CA-OG1 3.05Å; S268-T271 PolarHBondContact O-N 2.86Å; S268-T271 PolarHBondContact O-OG1 2.78Å; S268-T271 VanDerWaalsContact O-OG1 3.08Å; T271-A273 VanDerWaalsContact C-N 3.32Å; T271-A273 PolarHBondContact O-N 3.35Å; T271-A274 CarbonylContact O-C 3.33Å; T271-A274 PolarHBondContact O-N 3.29Å; T271-Q275 WeakPolarHBondContact O-CG 3.09Å; T271-Q275 PolarHBondContact O-N 3.22Å; T271-Q275 VanDerWaalsContact O-N 3.13Å
272	A	63.9	Low	56.8	Low	60 Å²	60	113.9 Å²	113.9	50%	0.496	63%	0.634	S	S	.	*	H	α-helix	trans	-60.1	-42.3	173.8	0	0	0	0	0	111.6	S268 A274 Q275	S268-A272 VanDerWaalsContact O-CB 3.31Å; S268-A272 WeakPolarHBondContact O-CB 3.27Å; S268-A272 PolarHBondContact O-N 3.12Å; A272-A274 PolarHBondContact O-N 3.15Å; A272-Q275 PolarHBondContact O-N 2.92Å
273	A	55.3	Low	55.2	Low	86 Å²	86	120 Å²	120	71%	0.711	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-15.4	173.7	0	0	0	0	0	114.4	L269 T271	L269-A273 WeakPolarHBondContact O-CB 3.28Å; L269-A273 PolarHBondContact O-N 3.09Å; T271-A273 VanDerWaalsContact C-N 3.32Å; T271-A273 PolarHBondContact O-N 3.35Å
274	A	51.3	Low	52.8	Low	82 Å²	82	120.5 Å²	120.5	68%	0.678	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-5.7	-178.7	0	0	0	0	0	114	R270 T271 A272	R270-A274 PolarHBondContact O-N 2.83Å; T271-A274 CarbonylContact O-C 3.33Å; T271-A274 PolarHBondContact O-N 3.29Å; A272-A274 PolarHBondContact O-N 3.15Å
275	Q	48.4	Very low	51.2	Low	153 Å²	153	119.2 Å²	119.2	72%	0.715	69%	0.688	S	S	*	*			trans	-108.6	27.5	-175.8	-74.8	-172.5	-20.5	0	0	113.9	T271 A272 P277	T271-Q275 WeakPolarHBondContact O-CG 3.09Å; T271-Q275 PolarHBondContact O-N 3.22Å; T271-Q275 VanDerWaalsContact O-N 3.13Å; A272-Q275 PolarHBondContact O-N 2.92Å; Q275-P277 WeakPolarHBondContact O-CD 3.2Å
276	M	36.7	Very low	49.5	Very low	167 Å²	167	117.8 Å²	117.8	82%	0.823	70%	0.699	S	S	*	*			trans	-99.7	89.3	169.1	-68.9	-63.8	-69.9	0	0	110.2
277	P	40.7	Very low	47.7	Very low	116 Å²	116	121.4 Å²	121.4	75%	0.753	72%	0.718	S	S	*	*			trans	-68.6	132.1	172.8	29.5	-34.5	0	0	0	110.4	Q275	Q275-P277 WeakPolarHBondContact O-CD 3.2Å
278	S	42.3	Very low	46.6	Very low	116 Å²	116	121.8 Å²	121.8	81%	0.811	73%	0.728	S	S	*	*			trans	-70.2	130.5	170.2	53.7	0	0	0	0	110.9
279	Q	35.5	Very low	45.3	Very low	174 Å²	174	120.8 Å²	120.8	81%	0.813	73%	0.728	S	S	*	*			trans	-128.7	123.1	161.6	-71.7	-161.6	-51	0	0	111.8
280	D	31.8	Very low	44.3	Very low	151 Å²	151	121.5 Å²	121.5	81%	0.807	73%	0.732	S	S	*	*			trans	48.8	87.5	150.2	-56.7	-11.3	0	0	0	119.3	S282	D280-S282 PolarHBondContact O-N 3.24Å
281	A	38	Very low	43.4	Very low	111 Å²	111	119.3 Å²	119.3	92%	0.917	73%	0.73	S	S	*	*			trans	-73	112.3	157.8	0	0	0	0	0	111.1
282	S	36.7	Very low	42.2	Very low	97 Å²	97	122.9 Å²	122.9	68%	0.678	74%	0.742	S	S	*	*			trans	-148.8	142.1	153.4	72.5	0	0	0	0	112	D280	D280-S282 PolarHBondContact O-N 3.24Å
283	Q	34.3	Very low	41.2	Very low	189 Å²	189	126.7 Å²	126.7	88%	0.883	75%	0.749	S	S	*	*	S	Bend	trans	77	148.2	177.8	-45.8	-173.1	24.9	0	0	117.2
284	A	29.3	Very low	40.5	Very low	101 Å²	101	125.7 Å²	125.7	84%	0.835	74%	0.741	S	S	*	*	S	Bend	trans	75.4	160.4	179.5	0	0	0	0	0	115.7
285	P	36.9	Very low	39.9	Very low	112 Å²	112	127.8 Å²	127.8	73%	0.727	74%	0.74	S	S	*	*				-109.9	169.6	-122.1	3.7	20.6	0	0	0	115.2	L287	P285-L287 PolarHBondContact O-N 2.68Å
286	P	38.8	Very low	39.4	Very low	130 Å²	130	124.4 Å²	124.4	84%	0.844	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-72.6	128.6	-172.7	29.3	-35.3	0	0	0	113.4
287	L	33.9	Very low	39.6	Very low	162 Å²	162	120.4 Å²	120.4	85%	0.848	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-101.5	154.6	163.8	-75.2	167.1	0	0	0	110.5	P285	P285-L287 PolarHBondContact O-N 2.68Å
288	S	50.3	Low	39.3	Very low	92 Å²	92	126 Å²	126	64%	0.643	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-68.6	140.9	-162.6	51.8	0	0	0	0	115.2	L290 Q291	S288-L290 PolarHBondContact O-N 2.77Å; S288-Q291 PolarHBondContact O-N 2.81Å
289	G	46.2	Very low	38.9	Very low	46 Å²	46	126 Å²	126	47%	0.474	73%	0.733	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.2	-10.2	-169	0	0	0	0	0	118.6	Q291 Q292	G289-Q291 PolarHBondContact O-N 2.84Å; G289-Q291 VanDerWaalsContact O-N 3.17Å; G289-Q292 WeakPolarHBondContact O-CB 3.4Å; G289-Q292 PolarHBondContact O-N 3.27Å
290	L	47.7	Very low	38.7	Very low	136 Å²	136	121.6 Å²	121.6	71%	0.712	73%	0.734	S	S	*	*	H	α-helix	trans	-60.7	-23.8	176.2	-77.1	169.3	0	0	0	113.5	S288 Q292	S288-L290 PolarHBondContact O-N 2.77Å; L290-Q292 VanDerWaalsContact C-N 3.27Å; L290-Q292 PolarHBondContact O-N 3.24Å
291	Q	45	Very low	38.6	Very low	147 Å²	147	120.4 Å²	120.4	69%	0.687	74%	0.738	S	S	*	*	H	α-helix	trans	-79.4	-10.2	176.5	-159.5	162.4	1.1	0	0	113.1	S288 G289	S288-Q291 PolarHBondContact O-N 2.81Å; G289-Q291 PolarHBondContact O-N 2.84Å; G289-Q291 VanDerWaalsContact O-N 3.17Å
292	Q	43	Very low	38.2	Very low	153 Å²	153	120.6 Å²	120.6	72%	0.715	73%	0.732	S	S	*	*	H	α-helix	trans	-91.8	-33.4	-177.7	-151	164.1	14	0	0	112.2	G289 L290 A296	G289-Q292 WeakPolarHBondContact O-CB 3.4Å; G289-Q292 PolarHBondContact O-N 3.27Å; L290-Q292 VanDerWaalsContact C-N 3.27Å; L290-Q292 PolarHBondContact O-N 3.24Å; Q292-A296 PolarHBondContact O-N 3.04Å
293	E	43.4	Very low	37.8	Very low	140 Å²	140	121.8 Å²	121.8	65%	0.654	74%	0.741	S	S	*	*	H	α-helix	trans	-69.2	-35.8	174.7	-63.9	-177.8	126.3	0	0	112.4	L295 A296	E293-L295 VanDerWaalsContact C-N 3.31Å; E293-L295 PolarHBondContact O-N 2.92Å; E293-A296 PolarHBondContact O-N 2.8Å
294	A	40.6	Very low	37.5	Very low	65 Å²	65	117.8 Å²	117.8	54%	0.537	73%	0.734	S	S	.	*	H	α-helix	trans	-62.8	-34.5	178.9	0	0	0	0	0	113.3
295	L	37.4	Very low	37.3	Very low	125 Å²	125	118.1 Å²	118.1	65%	0.654	73%	0.73	S	S	*	*	H	α-helix	trans	-77.2	-33.5	178.6	-76.3	165.1	0	0	0	112.5	E293 A297 W298	E293-L295 VanDerWaalsContact C-N 3.31Å; E293-L295 PolarHBondContact O-N 2.92Å; L295-A297 PolarHBondContact O-N 2.91Å; L295-W298 PolarHBondContact O-N 2.84Å
296	A	39.2	Very low	36.9	Very low	82 Å²	82	117.9 Å²	117.9	68%	0.678	73%	0.731	S	S	*	*	H	α-helix	trans	-64.3	-24.8	179.7	0	0	0	0	0	113.5	Q292 E293	Q292-A296 PolarHBondContact O-N 3.04Å; E293-A296 PolarHBondContact O-N 2.8Å
297	A	40.5	Very low	36.5	Very low	84 Å²	84	117.2 Å²	117.2	69%	0.694	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-12.4	-176.6	0	0	0	0	0	115.1	L295	L295-A297 PolarHBondContact O-N 2.91Å
298	W	35.2	Very low	36.4	Very low	233 Å²	233	114.7 Å²	114.7	88%	0.883	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	-14.8	-167.4	-86.9	52.1	0	0	0	115.8	L295	L295-W298 PolarHBondContact O-N 2.84Å
299	T	33	Very low	35.7	Very low	116 Å²	116	116.4 Å²	116.4	71%	0.712	74%	0.737	S	S	*	*			trans	-113	76.1	-175.3	56.8	0	0	0	0	113.4	S301	T299-S301 PolarHBondContact O-N 2.93Å
300	G	32.1	Very low	35.3	Very low	81 Å²	81	123.4 Å²	123.4	84%	0.835	76%	0.758	S	S	*	*			trans	-77.4	100.2	167.5	0	0	0	0	0	111.7
301	S	29.9	Very low	35.3	Very low	127 Å²	127	120.8 Å²	120.8	89%	0.888	75%	0.751	S	S	*	*			trans	-153.2	138.8	168.5	-82	0	0	0	0	112.2	T299	T299-S301 PolarHBondContact O-N 2.93Å
302	S	28	Very low	35.6	Very low	114 Å²	114	121.8 Å²	121.8	80%	0.797	75%	0.753	S	S	*	*			trans	-107.3	123.9	-163.3	55.1	0	0	0	0	114.1
303	S	28.9	Very low	37.1	Very low	122 Å²	122	118.3 Å²	118.3	85%	0.853	74%	0.736	S	S	*	*			trans	177	140.8	142.9	32.7	0	0	0	0	109.6
304	S	28	Very low	38	Very low	106 Å²	106	114.2 Å²	114.2	74%	0.741	72%	0.721	S	S	*	*			cis	-156.3	170.5	-3.2	59.7	0	0	0	0	112.3
305	S	26	Very low	39.7	Very low	107 Å²	107	115.2 Å²	115.2	75%	0.748	71%	0.714	S	S	*	*			trans	82	126.1	164.1	74.8	0	0	0	0	120.8
306	S	28.1	Very low	41.3	Very low	108 Å²	108	115.6 Å²	115.6	76%	0.755	71%	0.712	S	S	*	*			trans	63	107.4	154.9	48.4	0	0	0	0	122.6
307	S	31.2	Very low	42.7	Very low	116 Å²	116	121.8 Å²	121.8	81%	0.811	72%	0.724	S	S	*	*			trans	83	155.7	143.2	78.9	0	0	0	0	120.2
308	S	30.5	Very low	44.3	Very low	109 Å²	109	120.7 Å²	120.7	76%	0.762	71%	0.709	S	S	*	*			trans	58.1	91.1	-177.9	66.1	0	0	0	0	118.3	Q310	S308-Q310 PolarHBondContact O-N 2.87Å
309	S	35.4	Very low	46.4	Very low	128 Å²	128	114.6 Å²	114.6	90%	0.895	70%	0.699	S	S	*	*			trans	-69	112.8	168	-47.9	0	0	0	0	111.5	S311	S309-S311 PolarHBondContact O-N 3.13Å
310	Q	38.4	Very low	48.7	Very low	193 Å²	193	111.3 Å²	111.3	90%	0.902	69%	0.688	S	S	*	*			trans	-75.1	114.2	167.1	-68.3	-169.6	-2.4	0	0	109.8	S308 F312	S308-Q310 PolarHBondContact O-N 2.87Å; Q310-F312 PolarHBondContact O-N 3.31Å
311	S	48.1	Very low	50.8	Low	81 Å²	81	110.5 Å²	110.5	57%	0.566	66%	0.662	S	S	*	*			trans	-76.4	116.8	-176.6	59.1	0	0	0	0	111.7	S309 K313	S309-S311 PolarHBondContact O-N 3.13Å; S311-K313 PolarHBondContact O-N 3.49Å; S311-K313 WeakPolarHBondContact OG-CE 3.29Å
312	F	51.3	Low	53.5	Low	167 Å²	167	105.1 Å²	105.1	73%	0.732	62%	0.623	S	S	*	*			trans	-69.1	111.5	170.3	-175.3	-104.7	0	0	0	110.3	Q310 P314	Q310-F312 PolarHBondContact O-N 3.31Å; F312-P314 HydrophobicContact CD1-CG 4.22Å; F312-P314 HydrophobicContact CE1-CB 3.86Å; F312-P314 HydrophobicContact CE1-CG 3.96Å; F312-P314 HydrophobicContact CZ-CB 4.31Å; F312-P314 VanDerWaalsContact O-CD 3.3Å; F312-P314 WeakPolarHBondContact O-CD 3.38Å
313	K	74.1	Confident	55.9	Low	80 Å²	80	101.7 Å²	101.7	35%	0.348	60%	0.601	S	S	.	*			trans	-116.7	79.6	-176	-69.6	-179.6	170.6	177.4	0	111.7	S311 F315 E316	S311-K313 PolarHBondContact O-N 3.49Å; S311-K313 WeakPolarHBondContact OG-CE 3.29Å; K313-F315 PolarHBondContact O-N 2.73Å; K313-E316 HydrophobicContact CB-CB 4.06Å; K313-E316 WeakPolarHBondContact CD-OE1 3.43Å; K313-E316 IonicContact NZ-OE1 3.66Å; K313-E316 PolarHBondContact O-N 2.75Å
314	P	62.3	Low	58.1	Low	55 Å²	55	103 Å²	103	36%	0.357	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65	-14.8	-172.1	25.3	-33.4	0	0	0	114.4	F312 Y325	F312-P314 HydrophobicContact CD1-CG 4.22Å; F312-P314 HydrophobicContact CE1-CB 3.86Å; F312-P314 HydrophobicContact CE1-CG 3.96Å; F312-P314 HydrophobicContact CZ-CB 4.31Å; F312-P314 VanDerWaalsContact O-CD 3.3Å; F312-P314 WeakPolarHBondContact O-CD 3.38Å; P314-Y325 HydrophobicContact CG-CD1 4Å; P314-Y325 HydrophobicContact CG-CE1 3.57Å; P314-Y325 HydrophobicContact CG-CE2 4.35Å
315	F	75.6	Confident	60.6	Low	86 Å²	86	101.2 Å²	101.2	38%	0.377	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-119.4	24.9	-178.7	-56.2	-67.9	0	0	0	113.4	K313 K317 T318 K321 Q322 Y325	K313-F315 PolarHBondContact O-N 2.73Å; F315-K317 PolarHBondContact O-N 3.44Å; F315-K317 VanDerWaalsContact O-N 3.08Å; F315-T318 CarbonylContact O-C 3.56Å; F315-T318 WeakPolarHBondContact O-CA 3.41Å; F315-T318 PolarHBondContact O-N 3.15Å; F315-T318 VanDerWaalsContact O-O 3.07Å; F315-T318 PolarHBondContact O-OG1 2.77Å; F315-T318 VanDerWaalsContact O-OG1 3.08Å; F315-K321 HydrophobicContact CB-CB 3.87Å; F315-K321 HydrophobicContact CD1-CB 4.44Å; F315-K321 HydrophobicContact CG-CB 4.07Å; F315-Q322 HydrophobicContact CB-CB 4.14Å; F315-Y325 HydrophobicContact CD2-CD2 4.45Å; F315-Y325 HydrophobicContact CD2-CG 4.11Å; F315-Y325 HydrophobicContact CE2-CD2 4.02Å; F315-Y325 HydrophobicContact CE2-CG 4.14Å
316	E	71.4	Confident	63.3	Low	132 Å²	132	100.2 Å²	100.2	62%	0.617	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-28.4	-174.2	-168.5	154.6	-121.4	0	0	114.5	K313 T318	K313-E316 HydrophobicContact CB-CB 4.06Å; K313-E316 WeakPolarHBondContact CD-OE1 3.43Å; K313-E316 IonicContact NZ-OE1 3.66Å; K313-E316 PolarHBondContact O-N 2.75Å; E316-T318 PolarHBondContact O-N 3.45Å
317	K	68.1	Low	65.6	Low	213 Å²	213	103.4 Å²	103.4	93%	0.926	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-5.4	172.8	-63.5	-175.1	178.9	-178.5	0	114.6	F315	F315-K317 PolarHBondContact O-N 3.44Å; F315-K317 VanDerWaalsContact O-N 3.08Å
318	T	75.2	Confident	67.6	Low	61 Å²	61	104.6 Å²	104.6	37%	0.374	53%	0.532	S	S	.	.			trans	-143.5	86.6	-176.7	44.9	0	0	0	0	110.4	F315 E316 G320 K321 Q322	F315-T318 CarbonylContact O-C 3.56Å; F315-T318 WeakPolarHBondContact O-CA 3.41Å; F315-T318 PolarHBondContact O-N 3.15Å; F315-T318 VanDerWaalsContact O-O 3.07Å; F315-T318 PolarHBondContact O-OG1 2.77Å; F315-T318 VanDerWaalsContact O-OG1 3.08Å; E316-T318 PolarHBondContact O-N 3.45Å; T318-G320 VanDerWaalsContact C-N 3.27Å; T318-G320 PolarHBondContact O-N 2.86Å; T318-G320 VanDerWaalsContact O-N 3.15Å; T318-K321 PolarHBondContact O-N 3.46Å; T318-Q322 PolarHBondContact O-N 3.32Å; T318-Q322 VanDerWaalsContact O-N 3.11Å
319	P	79.3	Confident	69.8	Low	104 Å²	104	102.3 Å²	102.3	68%	0.675	51%	0.51	S	S	*	.	H	α-helix	trans	-59.8	-33.2	-170.4	21.1	-32.6	0	0	0	113.6	K321 Q322 A323	P319-K321 PolarHBondContact O-N 2.76Å; P319-Q322 PolarHBondContact O-N 2.92Å; P319-A323 WeakPolarHBondContact O-CB 3.46Å; P319-A323 PolarHBondContact O-N 2.84Å
320	G	80.5	Confident	71.6	Confident	48 Å²	48	98.6 Å²	98.6	50%	0.495	49%	0.485	S	S	.	.	H	α-helix	trans	-68.8	-14	175.2	0	0	0	0	0	115.6	T318 R324	T318-G320 VanDerWaalsContact C-N 3.27Å; T318-G320 PolarHBondContact O-N 2.86Å; T318-G320 VanDerWaalsContact O-N 3.15Å; G320-R324 PolarHBondContact O-NE 2.79Å
321	K	77.5	Confident	72.9	Confident	63 Å²	63	96.8 Å²	96.8	27%	0.274	47%	0.47	S	S	.	.	H	α-helix	trans	-93.4	-42.8	168.1	-68.6	-170.3	179.5	-172.7	0	111	E25 F315 T318 P319 A323 R324 Y325	E25-K321 VanDerWaalsContact CD-CE 3.48Å; E25-K321 VanDerWaalsContact CD-NZ 3.28Å; E25-K321 VanDerWaalsContact OE1-CE 3.25Å; E25-K321 WeakPolarHBondContact OE1-CE 3.35Å; E25-K321 IonicContact OE1-NZ 2.92Å; E25-K321 PolarHBondContact OE1-NZ 2.72Å; E25-K321 WeakPolarHBondContact OE2-CE 3.49Å; E25-K321 IonicContact OE2-NZ 2.68Å; E25-K321 PolarHBondContact OE2-NZ 2.78Å; F315-K321 HydrophobicContact CB-CB 3.87Å; F315-K321 HydrophobicContact CD1-CB 4.44Å; F315-K321 HydrophobicContact CG-CB 4.07Å; T318-K321 PolarHBondContact O-N 3.46Å; P319-K321 PolarHBondContact O-N 2.76Å; K321-A323 VanDerWaalsContact C-N 3.34Å; K321-A323 PolarHBondContact O-N 3.25Å; K321-R324 WeakPolarHBondContact O-CB 3.31Å; K321-R324 PolarHBondContact O-N 3.43Å; K321-Y325 PolarHBondContact O-N 3Å
322	Q	85.4	Confident	73.5	Confident	14 Å²	14	98 Å²	98	7%	0.065	47%	0.469	C	S	.	.	H	α-helix	trans	-58	-44.5	176.4	-172	57.3	37.6	0	0	111.8	F315 T318 P319 R324 Y325 E326	F315-Q322 HydrophobicContact CB-CB 4.14Å; T318-Q322 PolarHBondContact O-N 3.32Å; T318-Q322 VanDerWaalsContact O-N 3.11Å; P319-Q322 PolarHBondContact O-N 2.92Å; Q322-R324 VanDerWaalsContact C-N 3.3Å; Q322-R324 PolarHBondContact O-N 3.13Å; Q322-Y325 WeakPolarHBondContact O-CB 3.47Å; Q322-Y325 PolarHBondContact O-N 3.23Å; Q322-E326 WeakPolarHBondContact CG-OE1 3Å; Q322-E326 PolarHBondContact NE2-OE1 3.35Å; Q322-E326 WeakPolarHBondContact O-CG 3.21Å; Q322-E326 PolarHBondContact O-N 3.48Å
323	A	78.6	Confident	73.9	Confident	42 Å²	42	98.1 Å²	98.1	35%	0.347	47%	0.472	S	S	.	.	H	α-helix	trans	-68.6	-23.2	175.7	0	0	0	0	0	114.1	P319 K321 R327	P319-A323 WeakPolarHBondContact O-CB 3.46Å; P319-A323 PolarHBondContact O-N 2.84Å; K321-A323 VanDerWaalsContact C-N 3.34Å; K321-A323 PolarHBondContact O-N 3.25Å; A323-R327 WeakPolarHBondContact O-CB 3.49Å; A323-R327 WeakPolarHBondContact O-CG 3.35Å; A323-R327 PolarHBondContact O-N 2.97Å
324	R	76.4	Confident	73.4	Confident	150 Å²	150	101.6 Å²	101.6	57%	0.566	49%	0.49	S	S	*	.	H	α-helix	trans	-75.9	-41.4	170.1	-85.8	-174	-84.5	172.1	-6.2	111	G320 K321 Q322 R327 Y328	G320-R324 PolarHBondContact O-NE 2.79Å; K321-R324 WeakPolarHBondContact O-CB 3.31Å; K321-R324 PolarHBondContact O-N 3.43Å; Q322-R324 VanDerWaalsContact C-N 3.3Å; Q322-R324 PolarHBondContact O-N 3.13Å; R324-R327 PolarHBondContact O-N 3.21Å; R324-Y328 WeakPolarHBondContact O-CB 3.19Å; R324-Y328 PolarHBondContact O-N 2.65Å
325	Y	78.4	Confident	73.2	Confident	68 Å²	68	101.6 Å²	101.6	27%	0.267	50%	0.5	S	S	.	.	H	α-helix	trans	-63.2	-44.9	175.6	179.8	-109.4	0	0	0	112	P314 F315 K321 Q322 R327 Y328 L329	P314-Y325 HydrophobicContact CG-CD1 4Å; P314-Y325 HydrophobicContact CG-CE1 3.57Å; P314-Y325 HydrophobicContact CG-CE2 4.35Å; F315-Y325 HydrophobicContact CD2-CD2 4.45Å; F315-Y325 HydrophobicContact CD2-CG 4.11Å; F315-Y325 HydrophobicContact CE2-CD2 4.02Å; F315-Y325 HydrophobicContact CE2-CG 4.14Å; K321-Y325 PolarHBondContact O-N 3Å; Q322-Y325 WeakPolarHBondContact O-CB 3.47Å; Q322-Y325 PolarHBondContact O-N 3.23Å; Y325-R327 PolarHBondContact O-N 3.38Å; Y325-Y328 WeakPolarHBondContact O-CB 3.18Å; Y325-Y328 PolarHBondContact O-N 2.99Å; Y325-Y328 VanDerWaalsContact O-N 3.13Å; Y325-L329 HydrophobicContact CD1-CD1 4.04Å; Y325-L329 HydrophobicContact CE1-CD1 3.61Å; Y325-L329 HydrophobicContact CE1-CG 4.45Å; Y325-L329 WeakPolarHBondContact O-CG 3.36Å; Y325-L329 PolarHBondContact O-N 3.14Å
326	E	83.4	Confident	71.9	Confident	87 Å²	87	102.9 Å²	102.9	41%	0.407	51%	0.51	S	S	.	.	H	α-helix	trans	-64.6	-39.7	176.4	-72	165.4	-177.8	0	0	112.3	Q322 Y328 L329 S330	Q322-E326 WeakPolarHBondContact CG-OE1 3Å; Q322-E326 PolarHBondContact NE2-OE1 3.35Å; Q322-E326 WeakPolarHBondContact O-CG 3.21Å; Q322-E326 PolarHBondContact O-N 3.48Å; E326-Y328 VanDerWaalsContact C-N 3.3Å; E326-Y328 PolarHBondContact O-N 3.22Å; E326-L329 PolarHBondContact O-N 2.91Å; E326-S330 PolarHBondContact O-N 2.9Å
327	R	76.4	Confident	71.3	Confident	174 Å²	174	103.7 Å²	103.7	66%	0.657	52%	0.524	S	S	*	.	H	α-helix	trans	-70.4	-20.2	172.2	-79	176.8	170.7	159.3	-1.3	114.6	A323 R324 Y325 S330 R331	A323-R327 WeakPolarHBondContact O-CB 3.49Å; A323-R327 WeakPolarHBondContact O-CG 3.35Å; A323-R327 PolarHBondContact O-N 2.97Å; R324-R327 PolarHBondContact O-N 3.21Å; Y325-R327 PolarHBondContact O-N 3.38Å; R327-S330 PolarHBondContact O-OG 2.81Å; R327-R331 WeakPolarHBondContact O-CG 3.5Å
328	Y	72.8	Confident	70.5	Confident	141 Å²	141	96.5 Å²	96.5	55%	0.553	51%	0.511	S	S	*	.	H	α-helix	trans	-78.1	-48.8	171.9	170.1	-104.8	0	0	0	109.9	R324 Y325 E326 S330 R331 L332	R324-Y328 WeakPolarHBondContact O-CB 3.19Å; R324-Y328 PolarHBondContact O-N 2.65Å; Y325-Y328 WeakPolarHBondContact O-CB 3.18Å; Y325-Y328 PolarHBondContact O-N 2.99Å; Y325-Y328 VanDerWaalsContact O-N 3.13Å; E326-Y328 VanDerWaalsContact C-N 3.3Å; E326-Y328 PolarHBondContact O-N 3.22Å; Y328-S330 VanDerWaalsContact C-N 3.31Å; Y328-S330 PolarHBondContact O-N 2.76Å; Y328-R331 PolarHBondContact O-N 2.63Å; Y328-R331 VanDerWaalsContact O-N 3.13Å; Y328-L332 HydrophobicContact CE1-CD1 4.08Å; Y328-L332 HydrophobicContact CE2-CD1 4.18Å; Y328-L332 PolarHBondContact O-N 2.78Å
329	L	78.1	Confident	68.9	Low	61 Å²	61	96.3 Å²	96.3	32%	0.319	52%	0.516	S	S	.	.	H	α-helix	trans	-56.9	-41.4	174.2	-68.8	175.3	0	0	0	112.3	Y325 E326 R331 L332 Q333	Y325-L329 HydrophobicContact CD1-CD1 4.04Å; Y325-L329 HydrophobicContact CE1-CD1 3.61Å; Y325-L329 HydrophobicContact CE1-CG 4.45Å; Y325-L329 WeakPolarHBondContact O-CG 3.36Å; Y325-L329 PolarHBondContact O-N 3.14Å; E326-L329 PolarHBondContact O-N 2.91Å; L329-R331 VanDerWaalsContact C-N 3.28Å; L329-R331 PolarHBondContact O-N 2.98Å; L329-L332 PolarHBondContact O-N 2.84Å; L329-Q333 WeakPolarHBondContact O-CG 3.18Å; L329-Q333 PolarHBondContact O-N 3.34Å
330	S	72.3	Confident	67.1	Low	51 Å²	51	96.6 Å²	96.6	36%	0.357	53%	0.527	S	S	.	.	H	α-helix	trans	-65.1	-28.3	179.2	74	0	0	0	0	113.8	E326 R327 Y328 Q334	E326-S330 PolarHBondContact O-N 2.9Å; R327-S330 PolarHBondContact O-OG 2.81Å; Y328-S330 VanDerWaalsContact C-N 3.31Å; Y328-S330 PolarHBondContact O-N 2.76Å; S330-Q334 VanDerWaalsContact O-CD 3.31Å; S330-Q334 VanDerWaalsContact O-CG 3.28Å; S330-Q334 WeakPolarHBondContact O-CG 3.46Å
331	R	65.5	Low	65.2	Low	155 Å²	155	98.8 Å²	98.8	59%	0.585	54%	0.54	S	S	*	.	H	α-helix	trans	-81.9	-36.5	173.3	-66.1	180	-158.8	-169.1	2.3	111.9	R327 Y328 L329 Q333 Q334 G335	R327-R331 WeakPolarHBondContact O-CG 3.5Å; Y328-R331 PolarHBondContact O-N 2.63Å; Y328-R331 VanDerWaalsContact O-N 3.13Å; L329-R331 VanDerWaalsContact C-N 3.28Å; L329-R331 PolarHBondContact O-N 2.98Å; R331-Q333 PolarHBondContact O-N 2.84Å; R331-Q334 WeakPolarHBondContact O-CA 3.11Å; R331-Q334 WeakPolarHBondContact O-CB 3.16Å; R331-Q334 PolarHBondContact O-N 3.3Å; R331-G335 PolarHBondContact O-N 2.5Å
332	L	61.3	Low	63.1	Low	107 Å²	107	101 Å²	101	56%	0.56	56%	0.564	S	S	*	*	H	α-helix	trans	-61.6	-37.2	175.6	-149.6	110.9	0	0	0	111.1	Y328 L329 Q334 G335	Y328-L332 HydrophobicContact CE1-CD1 4.08Å; Y328-L332 HydrophobicContact CE2-CD1 4.18Å; Y328-L332 PolarHBondContact O-N 2.78Å; L329-L332 PolarHBondContact O-N 2.84Å; L332-Q334 PolarHBondContact O-N 2.76Å; L332-G335 PolarHBondContact O-N 3.23Å
333	Q	59.5	Low	60.6	Low	169 Å²	169	105.3 Å²	105.3	79%	0.79	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-13.9	171.3	-72.1	176.9	-7.9	0	0	114.3	L329 R331	L329-Q333 WeakPolarHBondContact O-CG 3.18Å; L329-Q333 PolarHBondContact O-N 3.34Å; R331-Q333 PolarHBondContact O-N 2.84Å
334	Q	64.1	Low	58.3	Low	153 Å²	153	115.1 Å²	115.1	72%	0.715	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	1.6	175.7	-72.1	169	-15.2	0	0	112.9	S330 R331 L332	S330-Q334 VanDerWaalsContact O-CD 3.31Å; S330-Q334 VanDerWaalsContact O-CG 3.28Å; S330-Q334 WeakPolarHBondContact O-CG 3.46Å; R331-Q334 WeakPolarHBondContact O-CA 3.11Å; R331-Q334 WeakPolarHBondContact O-CB 3.16Å; R331-Q334 PolarHBondContact O-N 3.3Å; L332-Q334 PolarHBondContact O-N 2.76Å
335	G	58.1	Low	56	Low	55 Å²	55	113.6 Å²	113.6	57%	0.567	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	84.6	5.3	171.3	0	0	0	0	0	115.9	R331 L332 T337	R331-G335 PolarHBondContact O-N 2.5Å; L332-G335 PolarHBondContact O-N 3.23Å; G335-T337 PolarHBondContact O-N 2.77Å
336	D	48.4	Very low	53.5	Low	113 Å²	113	115.5 Å²	115.5	60%	0.604	67%	0.665	S	S	*	*			trans	-81.5	78.8	-171.1	-134.6	-7	0	0	0	112
337	T	58.2	Low	50.9	Low	148 Å²	148	117.8 Å²	117.8	91%	0.908	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-15.8	-173.5	53.2	0	0	0	0	114.9	G335	G335-T337 PolarHBondContact O-N 2.77Å
338	G	50.5	Low	48.6	Very low	63 Å²	63	112.8 Å²	112.8	65%	0.649	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-7.5	-176.1	0	0	0	0	0	116.2	A340	G338-A340 VanDerWaalsContact C-N 3.31Å; G338-A340 PolarHBondContact O-N 2.9Å
339	A	41.3	Very low	47.3	Very low	57 Å²	57	112 Å²	112	47%	0.471	71%	0.705	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.8	24.3	-158.4	0	0	0	0	0	116.8
340	A	42.9	Very low	45.8	Very low	109 Å²	109	113.9 Å²	113.9	90%	0.901	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-19.2	173.7	0	0	0	0	0	113.7	G338	G338-A340 VanDerWaalsContact C-N 3.31Å; G338-A340 PolarHBondContact O-N 2.9Å
341	A	39.9	Very low	43.6	Very low	95 Å²	95	116.7 Å²	116.7	79%	0.785	74%	0.741	S	S	*	*	S	Bend	trans	-123.3	11.1	-165.5	0	0	0	0	0	115.8
342	S	33.6	Very low	41.7	Very low	110 Å²	110	114.4 Å²	114.4	77%	0.769	75%	0.748	S	S	*	*			trans	-152.1	102.5	166	-167.8	0	0	0	0	113.1
343	A	32.2	Very low	40.2	Very low	104 Å²	104	116.8 Å²	116.8	86%	0.86	76%	0.76	S	S	*	*			trans	-143.2	51.4	167.4	0	0	0	0	0	109.7
344	R	31	Very low	38.6	Very low	248 Å²	248	112 Å²	112	94%	0.936	76%	0.756	S	S	*	*			trans	-147.4	67.4	-172.9	-149.6	175.5	-168	178	4.2	116.3
345	S	28.4	Very low	36.8	Very low	117 Å²	117	116.9 Å²	116.9	82%	0.818	77%	0.767	S	S	*	*			trans	-157.8	161.6	144.4	77.3	0	0	0	0	107.7
346	S	26.5	Very low	35.2	Very low	109 Å²	109	122.2 Å²	122.2	76%	0.762	78%	0.782	S	S	*	*			cis	-148.7	135.8	19.2	49	0	0	0	0	113.3
347	S	28.1	Very low	35.4	Very low	134 Å²	134	122.1 Å²	122.1	94%	0.937	79%	0.788	S	S	*	*			trans	-162.7	139.3	145.5	55.3	0	0	0	0	110.9
348	G	29.2	Very low	34.5	Very low	70 Å²	70	120.5 Å²	120.5	72%	0.722	78%	0.78	S	S	*	*			trans	-174.4	179.7	175.7	0	0	0	0	0	106.9
349	P	43.8	Very low	33.2	Very low	123 Å²	123	128.4 Å²	128.4	80%	0.799	79%	0.79	S	S	*	*			cis	-129.6	-145.3	11.3	46.6	-29.8	0	0	0	109.3
350	P	47.4	Very low	32.3	Very low	102 Å²	102	131 Å²	131	66%	0.662	80%	0.804	S	S	*	*			cis	-128.8	168.1	-25.8	38.1	-23.2	0	0	0	114.6
351	S	26.6	Very low	31.4	Very low	109 Å²	109	137.6 Å²	137.6	76%	0.762	81%	0.805	S	S	*	*			trans	72.7	147.1	150.8	85.6	0	0	0	0	117.4
352	C	25.6	Very low	31.7	Very low	107 Å²	107	138.7 Å²	138.7	72%	0.723	80%	0.804	S	S	*	*			cis	-160.1	158.8	-9.6	-125.2	0	0	0	0	113.3
353	I	28.9	Very low	31.3	Very low	158 Å²	158	138.2 Å²	138.2	81%	0.81	81%	0.807	S	S	*	*			trans	56.5	96.1	152.4	-54.8	158.5	0	0	0	117.7
354	G	25.2	Very low	31.2	Very low	69 Å²	69	138.8 Å²	138.8	71%	0.711	81%	0.805	S	S	*	*				94.9	142.7	90.2	0	0	0	0	0	121
355	R	26.8	Very low	31.7	Very low	254 Å²	254	133.1 Å²	133.1	96%	0.958	80%	0.8	S	S	*	*			trans	81.5	130.4	160.2	-63	-170.9	177.2	-140.3	-1.7	120.5
356	L	24.1	Very low	31.8	Very low	167 Å²	167	131.8 Å²	131.8	87%	0.874	80%	0.796	S	S	*	*			trans	-49.5	169	165.5	-76.1	163.9	0	0	0	115.6
357	P	52.5	Low	32.4	Very low	111 Å²	111	131.8 Å²	131.8	72%	0.721	79%	0.794	S	S	*	*			trans	-93.3	-177.3	-158.2	42.9	-40.6	0	0	0	113
358	P	39.6	Very low	32.3	Very low	115 Å²	115	130.8 Å²	130.8	75%	0.747	79%	0.786	S	S	*	*				-152.6	-178.2	87.2	41.5	-22.7	0	0	0	116.5
359	R	23.7	Very low	32.3	Very low	229 Å²	229	132.5 Å²	132.5	86%	0.864	79%	0.787	S	S	*	*			trans	-8.9	139.2	154.3	-53.3	168.5	166.1	-174.5	-4.4	117.9
360	C	21.7	Very low	31.5	Very low	112 Å²	112	136.3 Å²	136.3	76%	0.757	79%	0.786	S	S	*	*				166.6	122.1	98.2	-101	0	0	0	0	116.1
361	R	25.7	Very low	30.5	Very low	246 Å²	246	136.9 Å²	136.9	93%	0.928	79%	0.787	S	S	*	*			trans	57.1	174.4	134.4	-92.5	-160	167.8	-179	-2.7	120
362	P	45.4	Very low	31.2	Very low	119 Å²	119	135.7 Å²	135.7	77%	0.773	78%	0.777	S	S	*	*			trans	-115.2	167.4	-149.4	42.8	-36	0	0	0	116.1
363	A	24.1	Very low	31.1	Very low	99 Å²	99	142.4 Å²	142.4	82%	0.818	79%	0.787	S	S	*	*			trans	-151.8	141.2	150.7	0	0	0	0	0	111.4
364	S	31.9	Very low	30.9	Very low	116 Å²	116	141 Å²	141	81%	0.811	79%	0.787	S	S	*	*			trans	-88.8	173.6	158.1	-31.6	0	0	0	0	108.3
365	P	41.6	Very low	31.6	Very low	130 Å²	130	143.8 Å²	143.8	84%	0.844	79%	0.792	S	S	*	*			cis	-142.5	-173	44.4	39.1	-17	0	0	0	116.3
366	A	28.6	Very low	31.5	Very low	89 Å²	89	135.4 Å²	135.4	74%	0.736	79%	0.785	S	S	*	*			trans	-78.9	-171.3	169.1	0	0	0	0	0	111.2
367	P	39.7	Very low	31.7	Very low	109 Å²	109	134.1 Å²	134.1	71%	0.708	78%	0.784	S	S	*	*				-151.4	169.1	53.1	42.1	-21.8	0	0	0	118.9
368	S	26.3	Very low	31.1	Very low	112 Å²	112	134.4 Å²	134.4	78%	0.783	79%	0.786	S	S	*	*			trans	64.2	150.4	151	69.4	0	0	0	0	118.7
369	S	28.4	Very low	30.4	Very low	106 Å²	106	133.4 Å²	133.4	74%	0.741	79%	0.787	S	S	*	*			cis	-162.3	-163.2	-14.3	51.2	0	0	0	0	107.2
370	R	28.1	Very low	30.6	Very low	204 Å²	204	126.8 Å²	126.8	77%	0.77	78%	0.782	S	S	*	*			cis	-162.6	165	12.8	-151.1	-171.4	178.2	-84.7	6.6	111
371	T	26.5	Very low	30.8	Very low	113 Å²	113	127.3 Å²	127.3	69%	0.693	78%	0.782	S	S	*	*			trans	-93.2	176.6	163.1	51.2	0	0	0	0	110
372	P	40.5	Very low	30.8	Very low	85 Å²	85	121.2 Å²	121.2	55%	0.552	78%	0.777	S	S	*	*			cis	-154	-173.5	23.9	48.2	-27	0	0	0	120.4
373	W	24.5	Very low	30	Very low	247 Å²	247	120.1 Å²	120.1	94%	0.936	77%	0.772	S	S	*	*			trans	94	141.7	147.2	-72.7	-4.8	0	0	0	122.1
374	T	24.7	Very low	30.2	Very low	130 Å²	130	124 Å²	124	80%	0.798	77%	0.773	S	S	*	*			trans	-102.1	-167.6	174.8	54.4	0	0	0	0	108.4
375	P	38.6	Very low	30	Very low	126 Å²	126	122.1 Å²	122.1	82%	0.818	77%	0.772	S	S	*	*			cis	-134.4	-175.5	-2.9	43.2	-26.2	0	0	0	115.2
376	G	25.3	Very low	29.3	Very low	79 Å²	79	123.5 Å²	123.5	81%	0.814	77%	0.772	S	S	*	*			trans	148.2	103.7	154.5	0	0	0	0	0	118.2
377	T	28.7	Very low	29.2	Very low	139 Å²	139	123 Å²	123	85%	0.853	78%	0.775	S	S	*	*			trans	-88.9	160.4	153	6.9	0	0	0	0	109.1
378	P	39.6	Very low	28.8	Very low	118 Å²	118	126.3 Å²	126.3	77%	0.766	78%	0.782	S	S	*	*				-155.7	165	57	42.9	-21.8	0	0	0	120.3
379	A	25.5	Very low	29	Very low	93 Å²	93	128.9 Å²	128.9	77%	0.769	78%	0.781	S	S	*	*			trans	59.5	148.9	138.3	0	0	0	0	0	125
380	A	27.3	Very low	29	Very low	91 Å²	91	128.3 Å²	128.3	75%	0.752	78%	0.783	S	S	*	*			trans	74.7	152.7	155.1	0	0	0	0	0	117.6
381	T	25.7	Very low	28.9	Very low	123 Å²	123	123 Å²	123	76%	0.755	78%	0.783	S	S	*	*			cis	-160.2	154.3	1.1	-11.7	0	0	0	0	111.9
382	S	25.6	Very low	28.9	Very low	117 Å²	117	121.7 Å²	121.7	82%	0.818	78%	0.778	S	S	*	*			trans	63.1	166.5	155.8	73.4	0	0	0	0	117.6
383	S	29.3	Very low	28.5	Very low	97 Å²	97	128.7 Å²	128.7	68%	0.678	79%	0.793	S	S	*	*			cis	-147.5	130.1	2	57.5	0	0	0	0	109.9
384	Q	28.1	Very low	28.9	Very low	181 Å²	181	122.7 Å²	122.7	85%	0.846	78%	0.784	S	S	*	*				68.7	124.7	104.8	-163.9	176.1	8.3	0	0	117.3
385	G	27.6	Very low	28.9	Very low	76 Å²	76	126.1 Å²	126.1	78%	0.784	79%	0.788	S	S	*	*			trans	177	107.1	171.6	0	0	0	0	0	111.8
386	D	25.9	Very low	28.3	Very low	158 Å²	158	123.5 Å²	123.5	85%	0.845	78%	0.784	S	S	*	*			trans	-82.9	151.3	-170.1	-68	-83	0	0	0	114.9
387	G	27.9	Very low	28.6	Very low	78 Å²	78	129.3 Å²	129.3	80%	0.804	79%	0.787	S	S	*	*			trans	-169.7	85.6	179.5	0	0	0	0	0	115
388	Q	31.1	Very low	28.6	Very low	180 Å²	180	130.1 Å²	130.1	84%	0.841	79%	0.786	S	S	*	*			trans	-49.2	151.9	171.1	-69.3	170.1	-1.4	0	0	113.3
389	Q	30.1	Very low	28.1	Very low	165 Å²	165	131 Å²	131	77%	0.771	79%	0.789	S	S	*	*			cis	-144.4	149.1	25.7	-107	139	41.7	0	0	109.8
390	A	27.9	Very low	28.4	Very low	94 Å²	94	138 Å²	138	78%	0.777	80%	0.795	S	S	*	*				46.4	138.5	88.6	0	0	0	0	0	115.2
391	A	27.1	Very low	28.6	Very low	93 Å²	93	142 Å²	142	77%	0.769	80%	0.799	S	S	*	*			cis	-175.3	167.8	-0.3	0	0	0	0	0	107.9
392	S	27.1	Very low	28.7	Very low	85 Å²	85	143.2 Å²	143.2	59%	0.594	81%	0.806	S	S	*	*			cis	-177.8	160	-19.6	62.7	0	0	0	0	110.1
393	R	31.3	Very low	29	Very low	232 Å²	232	145.8 Å²	145.8	88%	0.875	81%	0.81	S	S	*	*			trans	67.1	158.9	158.2	-61.7	160.7	174.8	171	-2.5	116.3
394	T	32.4	Very low	28.9	Very low	121 Å²	121	149 Å²	149	74%	0.742	81%	0.814	S	S	*	*			cis	-119.9	151.1	-3.3	49.2	0	0	0	0	109.8
395	F	25.7	Very low	28.8	Very low	202 Å²	202	151.3 Å²	151.3	89%	0.886	82%	0.815	S	S	*	*				43.6	135.3	77.4	-76.6	-94	0	0	0	114.8
396	G	25.5	Very low	29	Very low	71 Å²	71	154.6 Å²	154.6	73%	0.732	81%	0.81	S	S	*	*			cis	-162.1	-167.3	6	0	0	0	0	0	114.2
397	K	32.3	Very low	29.4	Very low	201 Å²	201	151.7 Å²	151.7	87%	0.874	80%	0.799	S	S	*	*			trans	-93.7	179.8	-169.6	-58.4	177.7	179.7	177.9	0	113.9
398	L	27.6	Very low	29.8	Very low	157 Å²	157	154.6 Å²	154.6	82%	0.822	80%	0.796	S	S	*	*			trans	83	147.4	176.5	-75.8	64.2	0	0	0	114.3
399	T	28.9	Very low	29.9	Very low	136 Å²	136	157 Å²	157	83%	0.834	80%	0.798	S	S	*	*			cis	-136.6	176.6	7.8	-16.5	0	0	0	0	112.2
400	R	32.7	Very low	30.1	Very low	239 Å²	239	157 Å²	157	90%	0.902	80%	0.802	S	S	*	*			trans	-116.9	109.5	-179.2	168.7	-159.1	175.6	173.9	-0.3	110.4
401	E	30.2	Very low	30.3	Very low	176 Å²	176	160.8 Å²	160.8	82%	0.822	81%	0.808	S	S	*	*			trans	-146.5	154.5	163.9	-71.6	-161.1	171.2	0	0	112.5
402	T	28.6	Very low	30.7	Very low	148 Å²	148	162.6 Å²	162.6	91%	0.908	81%	0.814	S	S	*	*			trans	63	154.4	175.4	36.2	0	0	0	0	119.2
403	L	31.6	Very low	31.2	Very low	171 Å²	171	168.3 Å²	168.3	90%	0.895	83%	0.828	S	S	*	*			trans	-113.2	143.7	-176.5	-70.3	155.8	0	0	0	109.4
404	E	27.1	Very low	31.3	Very low	165 Å²	165	168.6 Å²	168.6	77%	0.771	83%	0.829	S	S	*	*			trans	-156.3	148.7	144.9	-120	171.3	-126.9	0	0	110.7	H406	E404-H406 IonicContact OE2-CE1 2.65Å; E404-H406 PolarHBondContact OE2-CE1 2.92Å
405	W	25.6	Very low	31.3	Very low	230 Å²	230	172.1 Å²	172.1	87%	0.871	84%	0.835	S	S	*	*			trans	-112.8	101.7	-172.9	-142.1	88.6	0	0	0	109	P407	W405-P407 HydrophobicContact CZ3-CB 4.48Å; W405-P407 WeakPolarHBondContact O-CD 3.26Å
406	H	32.9	Very low	31.7	Very low	145 Å²	145	170.8 Å²	170.8	67%	0.671	84%	0.837	S	S	*	*			trans	-100.1	110.9	-178.3	-57.4	-48.4	0	0	0	110.7	E404 D408	E404-H406 IonicContact OE2-CE1 2.65Å; E404-H406 PolarHBondContact OE2-CE1 2.92Å; H406-D408 VanDerWaalsContact C-N 3.31Å; H406-D408 PolarHBondContact O-N 2.94Å
407	P	34.3	Very low	32.1	Very low	96 Å²	96	173.3 Å²	173.3	62%	0.623	84%	0.838	S	S	*	*			trans	-78.8	-8.4	-177.5	31.7	-35.6	0	0	0	114.4	W405	W405-P407 HydrophobicContact CZ3-CB 4.48Å; W405-P407 WeakPolarHBondContact O-CD 3.26Å
408	D	35.8	Very low	32.1	Very low	139 Å²	139	169.2 Å²	169.2	74%	0.743	83%	0.832	S	S	*	*	S	Bend	trans	-105.5	32.2	-162.8	-62.9	-44.1	0	0	0	115.4	H406	H406-D408 VanDerWaalsContact C-N 3.31Å; H406-D408 PolarHBondContact O-N 2.94Å
409	R	33.4	Very low	32.4	Very low	231 Å²	231	168.1 Å²	168.1	87%	0.872	83%	0.827	S	S	*	*	S	Bend	trans	-155.2	145.1	167.4	-99.7	119.1	-158.5	-108.3	2.5	113.9
410	L	33.3	Very low	33.1	Very low	164 Å²	164	166.5 Å²	166.5	86%	0.859	82%	0.819	S	S	*	*			trans	71.9	81.4	169.4	-54.9	176.8	0	0	0	118.1
411	L	33.8	Very low	33.3	Very low	174 Å²	174	164 Å²	164	91%	0.911	81%	0.81	S	S	*	*				-161.4	45.2	125.4	-111.4	174.4	0	0	0	115.5
412	C	33.8	Very low	33.3	Very low	132 Å²	132	161.9 Å²	161.9	89%	0.892	81%	0.812	S	S	*	*			trans	-118.6	71.6	169.9	-66	0	0	0	0	111.6
413	K	39.5	Very low	34	Very low	205 Å²	205	158.5 Å²	158.5	89%	0.891	81%	0.806	S	S	*	*			trans	-140.8	56.2	171.6	-91.9	-162	172.4	-173.2	0	112.6
414	R	32.9	Very low	34.5	Very low	237 Å²	237	155.5 Å²	155.5	89%	0.894	80%	0.8	S	S	*	*	S	Bend	trans	-153.6	13.9	161.1	-123.3	175	-172.4	-161.8	-0.2	116.9
415	F	32.3	Very low	34.9	Very low	196 Å²	196	152.2 Å²	152.2	86%	0.86	80%	0.801	S	S	*	*			trans	-130.9	121.4	165.7	-75.3	-79.9	0	0	0	109.2	V417	F415-V417 PolarHBondContact O-N 3.29Å
416	N	33	Very low	35.3	Very low	174 Å²	174	149.3 Å²	149.3	93%	0.93	80%	0.801	S	S	*	*			trans	-82.8	93	173.7	-77.4	-4.6	0	0	0	108.9
417	V	34.3	Very low	35.2	Very low	124 Å²	124	149.4 Å²	149.4	75%	0.752	81%	0.812	S	S	*	*			trans	-106.5	120.7	164.7	-177.2	0	0	0	0	107.1	F415	F415-V417 PolarHBondContact O-N 3.29Å
418	P	32.8	Very low	35	Very low	115 Å²	115	148.4 Å²	148.4	75%	0.747	82%	0.819	S	S	*	*			trans	-62.5	142.2	175.3	-23.4	34.7	0	0	0	112.3
419	D	34.2	Very low	34.6	Very low	133 Å²	133	149.7 Å²	149.7	71%	0.711	83%	0.825	S	S	*	*			trans	-76.4	127.5	178.4	-166.6	-8	0	0	0	110.5	Y421	D419-Y421 VanDerWaalsContact C-N 3.27Å; D419-Y421 PolarHBondContact O-N 2.84Å
420	P	43.7	Very low	35.3	Very low	102 Å²	102	143.4 Å²	143.4	66%	0.662	81%	0.814	S	S	*	*	S	Bend	trans	-66.6	-15.7	-172.1	-24.8	35.6	0	0	0	116.7
421	Y	36.3	Very low	35	Very low	187 Å²	187	144.4 Å²	144.4	73%	0.733	81%	0.811	S	S	*	*			trans	-138.9	82.8	-172.8	-68.3	-74.3	0	0	0	114.3	D419 G423	D419-Y421 VanDerWaalsContact C-N 3.27Å; D419-Y421 PolarHBondContact O-N 2.84Å; Y421-G423 PolarHBondContact O-N 2.79Å
422	P	29.9	Very low	34.8	Very low	132 Å²	132	141.9 Å²	141.9	86%	0.857	80%	0.803	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	92.7	173.8	30.6	-34.4	0	0	0	111.6
423	G	43.8	Very low	34.5	Very low	76 Å²	76	145.1 Å²	145.1	78%	0.784	80%	0.802	S	S	*	*	T	Hydrogen-bonded Turn	trans	168.6	-13.9	169.1	0	0	0	0	0	119.3	Y421 A425	Y421-G423 PolarHBondContact O-N 2.79Å; G423-A425 PolarHBondContact O-N 2.86Å
424	S	41.1	Very low	34.1	Very low	108 Å²	108	146.2 Å²	146.2	76%	0.755	80%	0.801	S	S	*	*			trans	-89.8	90.6	-171.9	45.1	0	0	0	0	114.2	L426	S424-L426 PolarHBondContact O-N 2.96Å
425	A	35.9	Very low	34.1	Very low	96 Å²	96	140.6 Å²	140.6	79%	0.793	79%	0.788	S	S	*	*			trans	-93	81.6	174.9	0	0	0	0	0	113.2	G423	G423-A425 PolarHBondContact O-N 2.86Å
426	L	33.6	Very low	34.2	Very low	170 Å²	170	138.8 Å²	138.8	89%	0.89	78%	0.78	S	S	*	*			trans	-161.8	139.7	154.3	-137.9	75.6	0	0	0	112.1	S424	S424-L426 PolarHBondContact O-N 2.96Å
427	V	30.7	Very low	34.1	Very low	147 Å²	147	139.9 Å²	139.9	89%	0.891	78%	0.777	S	S	*	*			trans	-117.5	123.1	172.1	174.8	0	0	0	0	108.9
428	G	30.1	Very low	34.1	Very low	75 Å²	75	139.1 Å²	139.1	77%	0.773	78%	0.777	S	S	*	*			trans	-161.7	114.7	-179.1	0	0	0	0	0	112.9
429	L	28.7	Very low	33.8	Very low	166 Å²	166	138.6 Å²	138.6	87%	0.869	77%	0.771	S	S	*	*			trans	-91.8	173.1	175.9	-70.6	168.3	0	0	0	110.6
430	P	47.5	Very low	33.5	Very low	98 Å²	98	140.8 Å²	140.8	64%	0.636	78%	0.775	S	S	*	*			cis	-137.3	-173.8	-40.8	33.6	-14.9	0	0	0	113.1
431	K	26.8	Very low	32.9	Very low	186 Å²	186	142 Å²	142	81%	0.809	78%	0.776	S	S	*	*			trans	108.4	124.6	152.8	-66.6	168.1	179.2	172.4	0	120.3
432	V	30.3	Very low	32.5	Very low	121 Å²	121	140 Å²	140	73%	0.733	77%	0.771	S	S	*	*			trans	68.5	117.7	137.4	178.6	0	0	0	0	120.5
433	K	27.7	Very low	32.5	Very low	200 Å²	200	142.2 Å²	142.2	87%	0.87	78%	0.775	S	S	*	*			trans	-160.7	139.3	137.7	-92.7	146.8	-176.6	-177.3	0	105.5
434	R	30.5	Very low	31.8	Very low	228 Å²	228	143.2 Å²	143.2	86%	0.86	77%	0.766	S	S	*	*			cis	77.9	102.6	19.3	-146.5	177.4	-166.8	110.7	5.9	114.4
435	D	33.3	Very low	31.2	Very low	118 Å²	118	144.1 Å²	144.1	63%	0.631	77%	0.766	S	S	*	*			trans	-2.3	134.3	171.1	-74.1	42.9	0	0	0	121.8
436	K	34.5	Very low	30.8	Very low	158 Å²	158	143.7 Å²	143.7	69%	0.687	76%	0.758	S	S	*	*			trans	61.6	135.3	140.7	-57.1	164.1	-178.9	135.3	0	116.2
437	F	30	Very low	30.5	Very low	197 Å²	197	141.7 Å²	141.7	86%	0.864	74%	0.744	S	S	*	*			cis	-154.9	-172.3	46.5	-92.2	-80.6	0	0	0	112.9
438	S	35.2	Very low	30.2	Very low	108 Å²	108	144.2 Å²	144.2	76%	0.755	74%	0.737	S	S	*	*			trans	-73.3	-178	173.4	-170.6	0	0	0	0	114.5
439	V	26.9	Very low	29.9	Very low	104 Å²	104	148.5 Å²	148.5	63%	0.63	74%	0.737	S	S	*	*			trans	124.3	141.6	141.3	-167	0	0	0	0	114.7
440	F	27	Very low	29.7	Very low	180 Å²	180	149.3 Å²	149.3	79%	0.789	74%	0.736	S	S	*	*			trans	77.5	114.4	179.2	-54.7	-66.3	0	0	0	115.4
441	D	30.5	Very low	28.7	Very low	127 Å²	127	151 Å²	151	68%	0.679	74%	0.744	S	S	*	*			cis	72.4	145.9	8.1	-149.7	5.9	0	0	0	117.3
442	F	28.6	Very low	28.5	Very low	145 Å²	145	146.1 Å²	146.1	64%	0.636	74%	0.739	S	S	*	*			trans	68.3	104	-178	-60.2	-78.5	0	0	0	119.7
443	L	29.3	Very low	28.2	Very low	178 Å²	178	149.4 Å²	149.4	93%	0.932	75%	0.747	S	S	*	*				-136.1	95.6	119.1	-99.8	178	0	0	0	110.4
444	T	29.8	Very low	27.8	Very low	97 Å²	97	145.8 Å²	145.8	60%	0.595	75%	0.745	S	S	*	*			trans	-74.8	179.1	148.3	46.3	0	0	0	0	108.3
445	V	28.9	Very low	27.5	Very low	127 Å²	127	144 Å²	144	77%	0.77	75%	0.746	S	S	*	*			cis	-138.7	179.1	15.8	-144.9	0	0	0	0	106.6
446	S	27.8	Very low	27	Very low	87 Å²	87	145.1 Å²	145.1	61%	0.608	76%	0.757	S	S	*	*			cis	-172.9	166.2	49	-90.1	0	0	0	0	106.4
447	E	26	Very low	26.4	Very low	129 Å²	129	145.5 Å²	145.5	60%	0.603	76%	0.759	S	S	*	*			cis	-165.2	147.5	-1.6	-117.9	158.5	-114.5	0	0	105.1
448	R	24.5	Very low	26	Very low	200 Å²	200	141.7 Å²	141.7	76%	0.755	74%	0.744	S	S	*	*				155.3	158.3	84.1	-116.9	162.2	-136.9	-163.5	4.1	105.8
449	Q	24.9	Very low	25.5	Very low	164 Å²	164	138.3 Å²	138.3	77%	0.766	72%	0.721	S	S	*	*			cis	-151.9	156.7	1.2	-162.8	163.4	-46.2	0	0	110.1
450	E	23.9	Very low	25.6	Very low	183 Å²	183	137.9 Å²	137.9	86%	0.855	72%	0.718	S	S	*	*			trans	-100.1	141.3	-179.5	-49.7	159.7	123.5	0	0	112.2
451	V	25.7	Very low	25.4	Very low	133 Å²	133	138 Å²	138	81%	0.806	72%	0.719	S	S	*	*			trans	-161.4	115.6	146.8	-159.8	0	0	0	0	104.5
452	A	23.6	Very low	25.5	Very low	85 Å²	85	137.4 Å²	137.4	70%	0.702	72%	0.722	S	S	*	*			cis	78.6	102.7	47.3	0	0	0	0	0	114.7
453	E	22.7	Very low	25.3	Very low	189 Å²	189	137.7 Å²	137.7	88%	0.883	73%	0.725	S	S	*	*			trans	164.6	162.5	157.3	-98.7	173.8	-155.7	0	0	107.1
454	C	21	Very low	25.1	Very low	124 Å²	124	137 Å²	137	84%	0.838	72%	0.717	S	S	*	*			cis	-180	-175.8	-33.6	-105.9	0	0	0	0	105.1
455	Q	23.3	Very low	24.8	Very low	190 Å²	190	139.1 Å²	139.1	89%	0.888	72%	0.724	S	S	*	*			trans	-78.7	156.9	-176.3	-60.7	162.1	-27.4	0	0	113.7
456	V	22.2	Very low	24.6	Very low	142 Å²	142	138 Å²	138	86%	0.861	73%	0.728	S	S	*	*			trans	-175.8	163.3	137.6	140.2	0	0	0	0	111
457	F	21.8	Very low	24.5	Very low	167 Å²	167	138.4 Å²	138.4	73%	0.732	74%	0.737	S	S	*	*			trans	-118.5	-179	-165.4	-112.4	-82.8	0	0	0	114.3	R607	F457-R607 PolarHBondContact O-NH2 2.8Å
458	E	23.5	Very low	24.5	Very low	116 Å²	116	141.3 Å²	141.3	54%	0.542	75%	0.748	S	S	.	*			trans	61.9	144.6	161.2	-91.3	46.7	-77.9	0	0	120.8	R607	E458-R607 PolarHBondContact O-NE 3.06Å; E458-R607 PolarHBondContact O-NH2 3.04Å
459	S	23.9	Very low	24.5	Very low	38 Å²	38	139.7 Å²	139.7	27%	0.266	75%	0.749	S	S	.	*			cis	-156.8	-179.4	-2.9	65.6	0	0	0	0	109.3	D610	S459-D610 WeakPolarHBondContact CB-OD1 3.47Å; S459-D610 PolarHBondContact OG-OD1 2.6Å
460	V	27.8	Very low	24.3	Very low	94 Å²	94	139 Å²	139	57%	0.57	75%	0.748	S	S	*	*			cis	-154.3	-178.4	6.1	70.1	0	0	0	0	110.7
461	F	24.8	Very low	24.4	Very low	183 Å²	183	136 Å²	136	80%	0.803	75%	0.746	S	S	*	*			trans	-90.9	175.3	173.5	-79.1	-92.9	0	0	0	113.7
462	P	30.8	Very low	24.2	Very low	115 Å²	115	135.2 Å²	135.2	75%	0.747	75%	0.747	S	S	*	*				-125.8	139.1	86.9	2.2	20.7	0	0	0	113.3
463	Q	25.3	Very low	24.2	Very low	150 Å²	150	142.9 Å²	142.9	70%	0.701	76%	0.758	S	S	*	*				69	145.5	84.8	-71.9	-175.2	-18.2	0	0	115.4
464	H	25.7	Very low	24.7	Very low	164 Å²	164	139.7 Å²	139.7	76%	0.759	75%	0.753	S	S	*	*			cis	-149.3	151.4	32.7	-150.4	-74.5	0	0	0	115.5
465	D	22.2	Very low	24.8	Very low	142 Å²	142	136.9 Å²	136.9	76%	0.759	75%	0.746	S	S	*	*			trans	-81	167.6	178	-63.3	-90.7	0	0	0	115.8
466	A	25.5	Very low	25.6	Very low	102 Å²	102	133.8 Å²	133.8	84%	0.843	74%	0.742	S	S	*	*			trans	-144.1	139.3	150.2	0	0	0	0	0	113.7
467	A	25.4	Very low	25.7	Very low	96 Å²	96	132.7 Å²	132.7	79%	0.793	74%	0.741	S	S	*	*			trans	-65	150.2	-178.3	0	0	0	0	0	114.2
468	K	27	Very low	26	Very low	191 Å²	191	129 Å²	129	83%	0.83	74%	0.736	S	S	*	*				82.4	99.1	53.8	-126.8	-178.3	-167.4	176.7	0	115.4
469	Q	23.6	Very low	26.2	Very low	166 Å²	166	132.9 Å²	132.9	78%	0.776	75%	0.754	S	S	*	*			trans	68.3	145	137	-103.4	-171	-12.4	0	0	125.1
470	I	21.6	Very low	26.3	Very low	148 Å²	148	134.3 Å²	134.3	76%	0.759	78%	0.775	S	S	*	*			trans	84.9	150.1	148.6	-69.3	164.1	0	0	0	118.8
471	C	24.5	Very low	26.3	Very low	120 Å²	120	134.3 Å²	134.3	81%	0.811	78%	0.784	S	S	*	*			trans	-109.2	145.7	-164.3	-40.1	0	0	0	0	113.2
472	S	21.9	Very low	26.4	Very low	118 Å²	118	132.1 Å²	132.1	83%	0.825	78%	0.781	S	S	*	*			trans	-166.4	144.5	149.8	53.6	0	0	0	0	113.6
473	W	25	Very low	26.4	Very low	246 Å²	246	132 Å²	132	93%	0.932	78%	0.779	S	S	*	*			trans	-99	163.7	154.5	-77.2	78	0	0	0	107.4
474	P	31.7	Very low	26.5	Very low	121 Å²	121	132.1 Å²	132.1	79%	0.786	78%	0.783	S	S	*	*			cis	-135.4	-171	23.8	38.5	-17	0	0	0	116.2
475	G	24	Very low	26.6	Very low	66 Å²	66	129.6 Å²	129.6	68%	0.68	78%	0.784	S	S	*	*			trans	-85.6	-148.9	-179.1	0	0	0	0	0	115.6
476	P	40	Very low	26.7	Very low	124 Å²	124	132 Å²	132	81%	0.805	79%	0.788	S	S	*	*			cis	-142.9	-168.2	18.6	44.9	-25.9	0	0	0	117.3
477	S	23.6	Very low	26.8	Very low	119 Å²	119	132 Å²	132	83%	0.832	78%	0.781	S	S	*	*			trans	78	155.2	165.5	83.7	0	0	0	0	117.5
478	S	28.3	Very low	26.8	Very low	90 Å²	90	130.7 Å²	130.7	63%	0.629	78%	0.776	S	S	*	*			cis	-157	152.3	9.1	66.3	0	0	0	0	115
479	Q	27.5	Very low	26.9	Very low	197 Å²	197	127.9 Å²	127.9	92%	0.921	78%	0.781	S	S	*	*			trans	67.1	143.3	160.7	-60.6	170.5	13.1	0	0	118.3
480	G	25.6	Very low	27.1	Very low	69 Å²	69	124.1 Å²	124.1	71%	0.711	78%	0.778	S	S	*	*			cis	-151.4	153.5	-5.4	0	0	0	0	0	111.5
481	A	28.1	Very low	27.5	Very low	93 Å²	93	121.7 Å²	121.7	77%	0.769	78%	0.78	S	S	*	*				68.5	127.7	109.7	0	0	0	0	0	115.1
482	D	26.6	Very low	27.9	Very low	138 Å²	138	122 Å²	122	74%	0.738	78%	0.78	S	S	*	*			cis	-130.7	140.7	15.8	-78.4	-51.7	0	0	0	111.8
483	T	30.9	Very low	28.7	Very low	113 Å²	113	122.1 Å²	122.1	69%	0.693	78%	0.779	S	S	*	*				55	134.1	82.2	84.1	0	0	0	0	115.2
484	L	28.8	Very low	29	Very low	151 Å²	151	120 Å²	120	79%	0.791	78%	0.776	S	S	*	*			cis	-149.5	142	26.9	-76.2	166.3	0	0	0	115.6
485	S	27.9	Very low	30.1	Very low	111 Å²	111	119.6 Å²	119.6	78%	0.776	77%	0.773	S	S	*	*			trans	62.7	151	134.3	82	0	0	0	0	122
486	F	23.2	Very low	30	Very low	194 Å²	194	124 Å²	124	85%	0.851	78%	0.781	S	S	*	*			cis	-151.9	175.1	0.9	-171.4	-114.3	0	0	0	112.6
487	C	27.6	Very low	29.5	Very low	102 Å²	102	126.2 Å²	126.2	69%	0.689	78%	0.78	S	S	*	*			trans	-69.6	169.4	-178.5	-65	0	0	0	0	115.7
488	G	25.7	Very low	29.6	Very low	68 Å²	68	126.8 Å²	126.8	70%	0.701	77%	0.77	S	S	*	*			cis	155.8	-167.6	-3.4	0	0	0	0	0	114
489	S	28	Very low	29.3	Very low	131 Å²	131	132.1 Å²	132.1	92%	0.916	78%	0.782	S	S	*	*			trans	70.7	150.6	177.4	-70	0	0	0	0	118.7
490	A	28	Very low	29.3	Very low	88 Å²	88	130.6 Å²	130.6	73%	0.727	77%	0.772	S	S	*	*			cis	-169.6	140.9	-22.7	0	0	0	0	0	112.2
491	A	30.2	Very low	29.6	Very low	96 Å²	96	132.4 Å²	132.4	79%	0.793	77%	0.774	S	S	*	*			trans	57.9	147.5	160.3	0	0	0	0	0	119.2
492	P	32.6	Very low	29.5	Very low	126 Å²	126	136.4 Å²	136.4	82%	0.818	77%	0.769	S	S	*	*				-151.2	165.3	80.3	40.7	-22.9	0	0	0	117.4
493	P	39.1	Very low	29.4	Very low	122 Å²	122	139.4 Å²	139.4	79%	0.792	77%	0.77	S	S	*	*			trans	-100.6	177.1	161.9	38.1	-31.8	0	0	0	113.8
494	K	31.6	Very low	29.2	Very low	201 Å²	201	140.3 Å²	140.3	87%	0.874	77%	0.77	S	S	*	*			trans	-97.4	-172.9	179.6	-55	175.1	-177.6	176.6	0	111.3
495	P	54.2	Low	29	Very low	113 Å²	113	140.7 Å²	140.7	73%	0.734	77%	0.772	S	S	*	*				-126.9	-176.5	-61.1	38	-22.3	0	0	0	113.1
496	L	23.5	Very low	28.8	Very low	159 Å²	159	140 Å²	140	83%	0.832	77%	0.767	S	S	*	*			trans	167.5	-166.9	141.2	-88.1	165.4	0	0	0	114
497	E	28	Very low	29.1	Very low	170 Å²	170	138.5 Å²	138.5	79%	0.794	76%	0.76	S	S	*	*			trans	-109	178.3	-143.2	-60	175.5	94.6	0	0	120.8
498	E	26.7	Very low	29	Very low	131 Å²	131	139.8 Å²	139.8	61%	0.612	76%	0.756	S	S	*	*			trans	85.9	120.5	146.9	-90.1	-131.7	131.5	0	0	124.2	K500	E498-K500 IonicContact OE1-NZ 3.54Å; E498-K500 PolarHBondContact OE1-NZ 2.74Å
499	K	21.8	Very low	29.1	Very low	202 Å²	202	143.3 Å²	143.3	88%	0.878	76%	0.764	S	S	*	*				-175.5	173.3	116.2	-99.7	160.1	-174.5	167.8	0	114.5
500	K	27.8	Very low	29	Very low	164 Å²	164	140.2 Å²	140.2	71%	0.713	75%	0.753	S	S	*	*			trans	-135.7	159.2	-159.8	-63.8	-174.5	175.7	84.7	0	117.8	E498	E498-K500 IonicContact OE1-NZ 3.54Å; E498-K500 PolarHBondContact OE1-NZ 2.74Å
501	S	30.9	Very low	28.9	Very low	108 Å²	108	144.7 Å²	144.7	76%	0.755	76%	0.758	S	S	*	*			trans	79.6	169.3	148.2	76.9	0	0	0	0	118.8
502	R	25.8	Very low	28.7	Very low	176 Å²	176	146.1 Å²	146.1	66%	0.664	76%	0.757	S	S	*	*			cis	-166.2	145.6	17.7	-152.3	-170.3	178.7	108.3	0.6	114.8
503	W	24.3	Very low	28.4	Very low	201 Å²	201	147.6 Å²	147.6	76%	0.761	75%	0.753	S	S	*	*			trans	57.7	156.6	145.9	-78.2	-8.1	0	0	0	123.1
504	D	28.1	Very low	27.7	Very low	132 Å²	132	147.3 Å²	147.3	71%	0.706	75%	0.745	S	S	*	*			cis	-172.9	-173.1	-28.8	-139.7	-50.8	0	0	0	111.3
505	I	24	Very low	27.6	Very low	160 Å²	160	145.2 Å²	145.2	82%	0.821	74%	0.739	S	S	*	*			trans	100.6	140.2	161.5	-53.6	-173.6	0	0	0	119.7
506	S	24.6	Very low	26.1	Very low	95 Å²	95	144.4 Å²	144.4	66%	0.664	74%	0.741	S	S	*	*			trans	-103.4	170.3	-163.1	55.9	0	0	0	0	117.4
507	K	27.9	Very low	26.2	Very low	164 Å²	164	140.3 Å²	140.3	71%	0.713	74%	0.738	S	S	*	*			trans	160.7	159	131.7	-89.3	-156.1	-179.8	-69.2	0	112.4
508	E	26.1	Very low	26.2	Very low	129 Å²	129	137.7 Å²	137.7	60%	0.603	74%	0.738	S	S	*	*			cis	-170.8	157.3	-33.4	-149.1	156.2	-100.6	0	0	111.4
509	T	27.8	Very low	26.3	Very low	141 Å²	141	140.8 Å²	140.8	87%	0.865	75%	0.75	S	S	*	*			trans	64.3	154.3	171.7	68.5	0	0	0	0	118.4
510	G	26.3	Very low	27.2	Very low	67 Å²	67	136.5 Å²	136.5	69%	0.691	74%	0.742	S	S	*	*			cis	177.4	161.4	-8.7	0	0	0	0	0	114.5
511	H	26.4	Very low	27.1	Very low	182 Å²	182	134.2 Å²	134.2	84%	0.843	75%	0.747	S	S	*	*			trans	55.1	111.6	165.9	-84.5	-74.6	0	0	0	122.4
512	T	24.7	Very low	26.9	Very low	126 Å²	126	132.3 Å²	132.3	77%	0.773	74%	0.744	S	S	*	*			trans	-66.4	149.9	138.3	47.7	0	0	0	0	111.3
513	Q	26.4	Very low	27.5	Very low	156 Å²	156	130.2 Å²	130.2	73%	0.729	75%	0.753	S	S	*	*			trans	-178.7	139	132.8	-107.1	-177.6	20.3	0	0	113.6
514	N	25.2	Very low	27.6	Very low	117 Å²	117	124.7 Å²	124.7	63%	0.626	75%	0.75	S	S	*	*			trans	64	155	143.8	-62.2	-24.1	0	0	0	118.8
515	Q	28.1	Very low	28.4	Very low	157 Å²	157	123.5 Å²	123.5	73%	0.734	75%	0.75	S	S	*	*			cis	-151	140.5	-10.3	-117.2	161.8	38.4	0	0	107.5
516	A	23.3	Very low	28.4	Very low	95 Å²	95	122.3 Å²	122.3	79%	0.785	75%	0.745	S	S	*	*				61	128.8	102	0	0	0	0	0	117.5
517	G	25.8	Very low	28.8	Very low	74 Å²	74	126 Å²	126	76%	0.763	75%	0.752	S	S	*	*			trans	83.1	153.9	176.7	0	0	0	0	0	114.2
518	S	28.3	Very low	28.6	Very low	115 Å²	115	129 Å²	129	80%	0.804	76%	0.759	S	S	*	*			cis	174.7	143.7	-21.3	37.7	0	0	0	0	106.1
519	K	27.7	Very low	29.2	Very low	196 Å²	196	128 Å²	128	85%	0.852	76%	0.763	S	S	*	*			trans	-3.7	156	155.2	-69.1	179.4	176.4	180	0	119.2
520	P	42.7	Very low	29.1	Very low	111 Å²	111	126.2 Å²	126.2	72%	0.721	76%	0.756	S	S	*	*			cis	-144	-148.6	-29.2	41.9	-21.7	0	0	0	111.6
521	S	25.2	Very low	30.6	Very low	117 Å²	117	128.5 Å²	128.5	82%	0.818	76%	0.759	S	S	*	*			trans	78.4	149.1	165.4	71.5	0	0	0	0	118.4
522	G	25.5	Very low	31.5	Very low	67 Å²	67	124.8 Å²	124.8	69%	0.691	75%	0.751	S	S	*	*			trans	-101.4	-157.4	169.8	0	0	0	0	0	111.3
523	P	39.4	Very low	31.8	Very low	132 Å²	132	126.5 Å²	126.5	86%	0.857	75%	0.75	S	S	*	*			cis	-128.5	-157.4	18.1	38.5	-18.7	0	0	0	113.5
524	A	25.3	Very low	32.2	Very low	85 Å²	85	127.3 Å²	127.3	70%	0.702	75%	0.754	S	S	*	*			trans	-70	175.6	163.8	0	0	0	0	0	111.2
525	P	45.5	Very low	32.3	Very low	108 Å²	108	131.4 Å²	131.4	70%	0.701	77%	0.769	S	S	*	*			cis	-147.2	-149	24.3	40.1	-14.6	0	0	0	116.4
526	D	25.1	Very low	32.2	Very low	134 Å²	134	135 Å²	135	72%	0.717	78%	0.776	S	S	*	*			trans	90.4	84	156.1	-63.5	-19.5	0	0	0	123.7
527	H	31.6	Very low	33.4	Very low	172 Å²	172	136 Å²	136	80%	0.796	78%	0.775	S	S	*	*				48.2	136.7	115.9	-82.5	-55	0	0	0	126
528	R	24	Very low	34.9	Very low	229 Å²	229	137.5 Å²	137.5	86%	0.864	77%	0.771	S	S	*	*			trans	77.9	162.6	145.7	-86	-167.3	176.5	-143.4	-1.2	118
529	P	39.6	Very low	35.2	Very low	107 Å²	107	139.7 Å²	139.7	70%	0.695	77%	0.771	S	S	*	*			cis	-133.6	-179.7	11.5	37.1	-17.1	0	0	0	118.6
530	S	25.5	Very low	35.9	Very low	103 Å²	103	136.6 Å²	136.6	72%	0.72	76%	0.764	S	S	*	*			trans	90.8	141.4	150.3	-10.3	0	0	0	0	122.4
531	P	57.6	Low	35.8	Very low	116 Å²	116	137.6 Å²	137.6	75%	0.753	76%	0.762	S	S	*	*			trans	-106.3	-154.2	166.4	46.5	-37.2	0	0	0	110.4
532	P	45.9	Very low	36.1	Very low	103 Å²	103	140.4 Å²	140.4	67%	0.669	76%	0.76	S	S	*	*			cis	-140.3	176.9	-4.4	42.9	-23.4	0	0	0	118.5
533	Q	31	Very low	36.6	Very low	163 Å²	163	147.9 Å²	147.9	76%	0.762	77%	0.767	S	S	*	*			trans	45.7	119.5	144.1	-71.2	178.5	-71.6	0	0	125.1
534	E	33	Very low	36.5	Very low	172 Å²	172	145.4 Å²	145.4	80%	0.804	76%	0.758	S	S	*	*				36.2	134.9	123.9	-57.8	-178.3	120.7	0	0	123.9
535	E	29.3	Very low	36.6	Very low	203 Å²	203	148.6 Å²	148.6	95%	0.949	76%	0.762	S	S	*	*			trans	-154	177	136.9	-130.6	174.3	-152.9	0	0	113.5
536	R	24.3	Very low	36	Very low	232 Å²	232	152.1 Å²	152.1	88%	0.875	77%	0.766	S	S	*	*			trans	-120.3	-160.5	-166.3	-125.1	179.2	179.6	175.7	-0.3	110.9
537	P	49.6	Very low	36.4	Very low	116 Å²	116	152.5 Å²	152.5	75%	0.753	77%	0.767	S	S	*	*			cis	-136.8	-131	19	35.7	-6.7	0	0	0	115.7
538	P	57.8	Low	36.3	Very low	106 Å²	106	148.6 Å²	148.6	69%	0.688	76%	0.759	S	S	*	*				-140.5	-176.1	-115.3	46	-25.4	0	0	0	120.7
539	M	33.6	Very low	36.5	Very low	162 Å²	162	142.4 Å²	142.4	80%	0.798	75%	0.751	S	S	*	*			trans	78.6	144.8	163.9	-66.1	-178.8	63.4	0	0	118.9
540	D	42.9	Very low	36.1	Very low	131 Å²	131	141.6 Å²	141.6	70%	0.701	75%	0.748	S	S	*	*			cis	86.6	143	8.7	-141.5	16.5	0	0	0	115.8
541	L	39.4	Very low	36.4	Very low	132 Å²	132	144 Å²	144	69%	0.691	75%	0.748	S	S	*	*			cis	-151.1	149.7	24.4	-75.5	152.2	0	0	0	113.2
542	F	31.6	Very low	35.1	Very low	175 Å²	175	145.3 Å²	145.3	77%	0.768	74%	0.744	S	S	*	*				177.7	122.1	126.3	-119.1	-95.3	0	0	0	115.2
543	R	36.9	Very low	34.1	Very low	224 Å²	224	147.1 Å²	147.1	85%	0.845	74%	0.741	S	S	*	*			trans	35.8	134.6	156.5	-61.7	-176.8	-177.8	-152.2	-2	120.5
544	A	36.2	Very low	33.9	Very low	81 Å²	81	144.5 Å²	144.5	67%	0.669	74%	0.741	S	S	*	*			cis	-162.1	153.1	37	0	0	0	0	0	115.6
545	I	28.3	Very low	33.6	Very low	152 Å²	152	141.6 Å²	141.6	78%	0.779	74%	0.739	S	S	*	*			trans	53.9	100.8	149.7	-58.5	161.1	0	0	0	117.2
546	F	33.2	Very low	33.3	Very low	182 Å²	182	137.1 Å²	137.1	80%	0.798	73%	0.73	S	S	*	*				63.3	139.6	72.5	-81.3	-119.5	0	0	0	115.5
547	I	33.2	Very low	33.5	Very low	142 Å²	142	130.4 Å²	130.4	73%	0.728	72%	0.719	S	S	*	*			cis	-170.6	174.6	-13.4	-158.8	147.6	0	0	0	106.2
548	S	28.5	Very low	32.6	Very low	90 Å²	90	127.8 Å²	127.8	63%	0.629	70%	0.704	S	S	*	*			cis	-163.5	169.9	18.9	-166.5	0	0	0	0	112.2
549	S	28.6	Very low	31.2	Very low	98 Å²	98	127.3 Å²	127.3	69%	0.685	69%	0.692	S	S	*	*			trans	71.8	131.2	152.1	-50.8	0	0	0	0	119.2
550	S	31.8	Very low	31.1	Very low	91 Å²	91	125.9 Å²	125.9	64%	0.636	68%	0.684	S	S	*	*			cis	90.7	109.7	34.6	-66.7	0	0	0	0	113.1
551	E	31.1	Very low	30.3	Very low	154 Å²	154	126.8 Å²	126.8	72%	0.72	69%	0.688	S	S	*	*				99.4	166.6	81.8	-80.6	165.9	105.9	0	0	111.7	K553	E551-K553 IonicContact OE1-NZ 2.9Å
552	E	30.4	Very low	29.7	Very low	143 Å²	143	123.5 Å²	123.5	67%	0.668	69%	0.686	S	S	*	*			cis	-142.6	-173.5	27.1	-115.6	-55.7	-148	0	0	115.8
553	K	26.1	Very low	29.5	Very low	141 Å²	141	122.7 Å²	122.7	61%	0.613	69%	0.69	S	S	*	*			trans	-80.3	158.8	-172.6	-64	150.9	-164.6	79.1	0	118.7	E551	E551-K553 IonicContact OE1-NZ 2.9Å
554	S	25.6	Very low	29.1	Very low	108 Å²	108	120.5 Å²	120.5	76%	0.755	69%	0.689	S	S	*	*			trans	65.5	129.2	134.8	-66.8	0	0	0	0	126.5
555	S	26.3	Very low	28.7	Very low	111 Å²	111	123.7 Å²	123.7	78%	0.776	70%	0.695	S	S	*	*				68.1	112.5	129	-57.5	0	0	0	0	125.4
556	S	24.7	Very low	28.8	Very low	108 Å²	108	124 Å²	124	76%	0.755	69%	0.693	S	S	*	*				49.2	120	129.9	-159.6	0	0	0	0	123.6
557	S	26.9	Very low	28.4	Very low	91 Å²	91	123.1 Å²	123.1	64%	0.636	69%	0.691	S	S	*	*			trans	59	145	141.9	59.4	0	0	0	0	119.4
558	S	30.6	Very low	28	Very low	62 Å²	62	120 Å²	120	43%	0.434	69%	0.687	S	S	.	*			cis	-175.2	176.2	19.1	31	0	0	0	0	111.1
559	E	30	Very low	27.8	Very low	96 Å²	96	125.3 Å²	125.3	45%	0.449	70%	0.699	S	S	.	*			trans	76.5	149.2	162.8	-30.7	-176	116.8	0	0	114	L59 P60 G61	L59-E559 HydrophobicContact CB-CG 4.48Å; L59-E559 VanDerWaalsContact O-CA 3.31Å; L59-E559 WeakPolarHBondContact O-CA 3.17Å; L59-E559 PolarHBondContact O-N 2.87Å; P60-E559 HydrophobicContact CB-CB 4.49Å; P60-E559 HydrophobicContact CG-CB 4.48Å; G61-E559 WeakPolarHBondContact CA-OE1 3.27Å
560	E	30.1	Very low	27.5	Very low	132 Å²	132	123.6 Å²	123.6	62%	0.617	70%	0.697	S	S	*	*			cis	-160.5	142.9	5	-161.7	141.8	-100.2	0	0	114.1	P60	P60-E560 HydrophobicContact CB-CG 4.38Å; P60-E560 WeakPolarHBondContact CB-OE1 3.09Å; P60-E560 HydrophobicContact CG-CB 4.18Å; P60-E560 HydrophobicContact CG-CG 3.76Å
561	D	27.6	Very low	27.1	Very low	150 Å²	150	126.1 Å²	126.1	80%	0.802	70%	0.703	S	S	*	*			trans	48.5	171.1	165.4	-66.5	-14.3	0	0	0	121.2
562	G	26.5	Very low	26.8	Very low	63 Å²	63	127.3 Å²	127.3	65%	0.649	71%	0.709	S	S	*	*			cis	179.3	170	-5.1	0	0	0	0	0	112.8
563	D	27.5	Very low	26.5	Very low	157 Å²	157	128.6 Å²	128.6	84%	0.84	72%	0.715	S	S	*	*			trans	56.9	108.3	162.6	-55.8	-15.6	0	0	0	123.5
564	E	28.4	Very low	27.5	Very low	178 Å²	178	126 Å²	126	83%	0.832	71%	0.712	S	S	*	*				42.9	167.4	123.6	-54.8	-166	145	0	0	124.9
565	D	27.5	Very low	27.4	Very low	148 Å²	148	126.1 Å²	126.1	79%	0.791	71%	0.713	S	S	*	*			trans	67.5	148.7	171	-63.6	-9	0	0	0	119.9
566	E	29.2	Very low	27.3	Very low	158 Å²	158	125.1 Å²	125.1	74%	0.738	71%	0.706	S	S	*	*			cis	-159.3	179.2	-19.8	-114.4	-69.6	-143.3	0	0	110.8
567	E	24.9	Very low	27.6	Very low	164 Å²	164	123.6 Å²	123.6	77%	0.766	70%	0.695	S	S	*	*			trans	-6.6	125.4	167.2	-85.3	-157.8	144.2	0	0	122.6
568	A	26.2	Very low	27.5	Very low	77 Å²	77	129.3 Å²	129.3	64%	0.636	70%	0.703	S	S	*	*				66.1	147.6	114.4	0	0	0	0	0	124.3
569	K	23.3	Very low	27.5	Very low	201 Å²	201	134.1 Å²	134.1	87%	0.874	72%	0.723	S	S	*	*			trans	65	159.3	162.1	-68.3	173.6	-178.3	171.6	0	116.7
570	G	23.3	Very low	27.2	Very low	62 Å²	62	133.8 Å²	133.8	64%	0.639	74%	0.736	S	S	*	*			cis	169.3	178.4	-6.4	0	0	0	0	0	112.5
571	D	23.8	Very low	26.9	Very low	145 Å²	145	130.5 Å²	130.5	78%	0.775	74%	0.738	S	S	*	*			trans	69.2	110.5	152.7	-47.4	-24.6	0	0	0	121.1
572	E	23.8	Very low	27.8	Very low	179 Å²	179	129.2 Å²	129.2	84%	0.836	74%	0.738	S	S	*	*				62.7	122.5	126.8	-60.8	-155.8	145.7	0	0	123.9
573	E	23.9	Very low	27.9	Very low	170 Å²	170	132.2 Å²	132.2	79%	0.794	74%	0.744	S	S	*	*				46.4	167.8	118.7	-69.9	-100.8	113.3	0	0	121.9
574	P	47.2	Very low	28	Very low	87 Å²	87	132.3 Å²	132.3	57%	0.565	74%	0.743	S	S	*	*			cis	-138.2	-171.6	-45.4	38	-21.4	0	0	0	113.7
575	S	24.1	Very low	27.9	Very low	109 Å²	109	129.2 Å²	129.2	76%	0.762	74%	0.741	S	S	*	*			trans	77.4	159.8	151.8	99.2	0	0	0	0	117.1
576	S	24.6	Very low	28	Very low	91 Å²	91	127.5 Å²	127.5	64%	0.636	74%	0.741	S	S	*	*			cis	-160.9	136.7	-14.1	36.4	0	0	0	0	115.1
577	S	29.1	Very low	29.3	Very low	75 Å²	75	125.2 Å²	125.2	52%	0.524	74%	0.74	S	S	.	*			trans	73.5	149.7	131	80.2	0	0	0	0	124.5
578	R	26.5	Very low	29.4	Very low	211 Å²	211	123.7 Å²	123.7	80%	0.796	74%	0.741	S	S	*	*			trans	74.3	150.9	155.6	-65.8	154.4	-176.9	115.5	-3.7	114.6
579	L	28.8	Very low	29.4	Very low	164 Å²	164	126.1 Å²	126.1	86%	0.859	74%	0.744	S	S	*	*			cis	-157.3	171.4	-6.3	-111.3	168.5	0	0	0	106.2
580	A	24.8	Very low	29.4	Very low	88 Å²	88	125.7 Å²	125.7	73%	0.727	74%	0.742	S	S	*	*			cis	-149.8	-168.1	10.7	0	0	0	0	0	112
581	G	23.2	Very low	30.6	Very low	64 Å²	64	127.9 Å²	127.9	66%	0.66	75%	0.745	S	S	*	*			trans	-119.8	-157.7	164.3	0	0	0	0	0	111.3
582	P	46.5	Very low	30.8	Very low	123 Å²	123	126.7 Å²	126.7	80%	0.799	75%	0.748	S	S	*	*			cis	-113.6	154.4	18.2	12.9	11.7	0	0	0	114.1
583	V	29.8	Very low	30.9	Very low	126 Å²	126	126.6 Å²	126.6	76%	0.764	75%	0.75	S	S	*	*				70.2	133.3	52.2	178.7	0	0	0	0	111.3
584	L	29	Very low	31.9	Very low	159 Å²	159	123.6 Å²	123.6	83%	0.832	75%	0.745	S	S	*	*			cis	-99.9	-152.3	25	-65.3	162.4	0	0	0	113.5
585	S	27	Very low	31	Very low	112 Å²	112	127.5 Å²	127.5	78%	0.783	76%	0.76	S	S	*	*			cis	-157.8	159.4	12.4	-59.6	0	0	0	0	113.6
586	S	28.6	Very low	31	Very low	113 Å²	113	126 Å²	126	79%	0.79	75%	0.754	S	S	*	*			trans	-172.8	-162.6	172.2	68.4	0	0	0	0	109.5
587	P	57.1	Low	31.1	Very low	110 Å²	110	129.7 Å²	129.7	71%	0.714	77%	0.766	S	S	*	*			cis	-110.7	-129.2	-15	38.8	-23.5	0	0	0	113.6
588	V	26.7	Very low	31	Very low	131 Å²	131	130.6 Å²	130.6	79%	0.794	77%	0.773	S	S	*	*			cis	-149.8	175.2	30.6	-149.2	0	0	0	0	111.3
589	D	25.5	Very low	31	Very low	129 Å²	129	125.3 Å²	125.3	69%	0.69	77%	0.768	S	S	*	*			trans	-135.8	154.1	-167.9	-89.2	-62.3	0	0	0	116.7
590	F	24.7	Very low	30.8	Very low	191 Å²	191	122.8 Å²	122.8	84%	0.838	76%	0.764	S	S	*	*			trans	57.4	175.4	146.7	-79.4	-54.5	0	0	0	122
591	P	47.8	Very low	30.8	Very low	108 Å²	108	123.6 Å²	123.6	70%	0.701	76%	0.764	S	S	*	*			cis	-138.7	-170.6	-30.6	33	-11.1	0	0	0	116.3
592	S	27.4	Very low	30.8	Very low	121 Å²	121	124.7 Å²	124.7	85%	0.846	76%	0.762	S	S	*	*			trans	105.2	155.6	141.5	-65.5	0	0	0	0	123.6
593	M	27.4	Very low	29.6	Very low	177 Å²	177	127.9 Å²	127.9	87%	0.872	77%	0.766	S	S	*	*			trans	-122.9	158.7	-173.6	-105	-88	179.4	0	0	110.8
594	P	43.7	Very low	29.4	Very low	106 Å²	106	130.3 Å²	130.3	69%	0.688	77%	0.771	S	S	*	*				-160.8	157.9	104.9	39.8	-20.5	0	0	0	119.2
595	L	28.4	Very low	29.7	Very low	169 Å²	169	128 Å²	128	89%	0.885	77%	0.766	S	S	*	*			trans	48.7	168.4	143.1	-59.9	169.4	0	0	0	121.8
596	A	25	Very low	29.5	Very low	78 Å²	78	127.5 Å²	127.5	65%	0.645	76%	0.763	S	S	*	*			cis	-175.6	145	-48.1	0	0	0	0	0	109.5
597	L	26.5	Very low	29.5	Very low	168 Å²	168	128.7 Å²	128.7	88%	0.88	75%	0.75	S	S	*	*			trans	152.4	137.8	144.6	-84.5	165.7	0	0	0	117.7
598	S	25.8	Very low	28.1	Very low	95 Å²	95	129.5 Å²	129.5	66%	0.664	74%	0.744	S	S	*	*			trans	52.7	125	140.8	68.5	0	0	0	0	126.7
599	S	26.3	Very low	28.2	Very low	99 Å²	99	131.6 Å²	131.6	69%	0.692	75%	0.745	S	S	*	*				76.5	104	124.1	68.8	0	0	0	0	124.7
600	S	25.3	Very low	28.5	Very low	111 Å²	111	129 Å²	129	78%	0.776	73%	0.731	S	S	*	*				60	127.1	121.9	68.4	0	0	0	0	124.9
601	S	24.3	Very low	28.8	Very low	105 Å²	105	128.6 Å²	128.6	73%	0.734	73%	0.732	S	S	*	*			trans	91.2	143.5	131.9	-163	0	0	0	0	122.2
602	S	23.6	Very low	28.1	Very low	87 Å²	87	130.5 Å²	130.5	61%	0.608	73%	0.731	S	S	*	*			trans	67.7	110.9	146.9	39	0	0	0	0	122.6
603	Q	22.1	Very low	28.1	Very low	190 Å²	190	133.2 Å²	133.2	89%	0.888	73%	0.728	S	S	*	*				71.3	134.6	129.7	-67.9	174.4	-57.7	0	0	122.2
604	M	26.3	Very low	28.1	Very low	177 Å²	177	127.7 Å²	127.7	87%	0.872	72%	0.716	S	S	*	*			trans	-65.4	166.2	156.4	-60.2	-74.7	-145.1	0	0	110.8
605	P	33.4	Very low	28.3	Very low	110 Å²	110	127.5 Å²	127.5	71%	0.714	72%	0.715	S	S	*	*				-154.1	160.8	100.4	40	-23.4	0	0	0	117.5
606	S	23.9	Very low	28.3	Very low	103 Å²	103	128.3 Å²	128.3	72%	0.72	71%	0.712	S	S	*	*			trans	65	150.5	136	67.9	0	0	0	0	121.3
607	R	28.4	Very low	28.6	Very low	138 Å²	138	132.2 Å²	132.2	52%	0.521	72%	0.721	S	S	.	*			cis	-171.7	-176.4	-6.8	-121.4	-167.3	179.3	180	-7.4	112.4	F457 E458	F457-R607 PolarHBondContact O-NH2 2.8Å; E458-R607 PolarHBondContact O-NE 3.06Å; E458-R607 PolarHBondContact O-NH2 3.04Å
608	E	27.5	Very low	29.6	Very low	126 Å²	126	129.5 Å²	129.5	59%	0.589	71%	0.713	S	S	*	*			trans	77.1	144.3	147	-81.8	141.8	-142.5	0	0	117.7
609	E	28.7	Very low	30.5	Very low	175 Å²	175	130.7 Å²	130.7	82%	0.818	72%	0.719	S	S	*	*			cis	-167.5	145.2	-5.3	-178.7	-178.8	-119.3	0	0	110.5
610	D	31.1	Very low	31.4	Very low	75 Å²	75	131.1 Å²	131.1	40%	0.401	72%	0.719	S	S	.	*			cis	-125.8	-85	-48.4	-125.7	72.6	0	0	0	115.5	S459	S459-D610 WeakPolarHBondContact CB-OD1 3.47Å; S459-D610 PolarHBondContact OG-OD1 2.6Å
611	E	32.2	Very low	31.6	Very low	182 Å²	182	131.1 Å²	131.1	85%	0.85	72%	0.719	S	S	*	*			cis	-164.3	172.8	-7.3	-101.7	-159.2	112.3	0	0	105.8
612	E	33	Very low	31.8	Very low	148 Å²	148	130.5 Å²	130.5	69%	0.692	72%	0.72	S	S	*	*			cis	-163.7	179.8	-44.1	-141.6	-71.2	88.4	0	0	108.1
613	F	28.1	Very low	32	Very low	179 Å²	179	130.3 Å²	130.3	79%	0.785	72%	0.724	S	S	*	*			trans	82.9	108.7	165.6	-104.8	-90.6	0	0	0	121.2
614	G	26.8	Very low	32.1	Very low	60 Å²	60	129.3 Å²	129.3	62%	0.619	73%	0.725	S	S	*	*			trans	-93.1	-134.3	161.4	0	0	0	0	0	112.8
615	P	48	Very low	32	Very low	102 Å²	102	124.9 Å²	124.9	66%	0.662	73%	0.725	S	S	*	*			cis	-145.1	-170.9	1.8	42.9	-23.2	0	0	0	116.4
616	K	29.2	Very low	31.6	Very low	187 Å²	187	124.6 Å²	124.6	81%	0.813	73%	0.731	S	S	*	*			trans	80.8	146.5	159.4	-63.7	161.1	-175.5	170.5	0	119.5
617	L	30.7	Very low	31.7	Very low	159 Å²	159	124.7 Å²	124.7	83%	0.832	74%	0.739	S	S	*	*			cis	-172.5	149.5	-42.2	-112.2	172.2	0	0	0	108.8
618	P	47.7	Very low	31.6	Very low	111 Å²	111	122.5 Å²	122.5	72%	0.721	75%	0.75	S	S	*	*			trans	-119.9	157.4	178.4	40.1	-30	0	0	0	115.9
619	P	44.8	Very low	31.6	Very low	121 Å²	121	125.3 Å²	125.3	79%	0.786	76%	0.763	S	S	*	*			trans	-118.3	-170	171.7	49.4	-37.1	0	0	0	110.5
620	P	45.1	Very low	31.5	Very low	107 Å²	107	122.2 Å²	122.2	70%	0.695	76%	0.761	S	S	*	*				-147.2	-176.7	-108.5	37.1	-12.4	0	0	0	118.4
621	S	28.1	Very low	31.1	Very low	111 Å²	111	125 Å²	125	78%	0.776	79%	0.785	S	S	*	*			trans	67.1	162.9	141	64.6	0	0	0	0	121.4
622	A	29	Very low	30.8	Very low	92 Å²	92	121.6 Å²	121.6	76%	0.76	79%	0.788	S	S	*	*			cis	-173.8	168.2	-31.8	0	0	0	0	0	110.8
623	A	27.4	Very low	30.4	Very low	84 Å²	84	117.9 Å²	117.9	69%	0.694	79%	0.789	S	S	*	*			trans	67.1	145	147.3	0	0	0	0	0	123.1
624	D	26	Very low	30.3	Very low	169 Å²	169	119 Å²	119	90%	0.904	79%	0.794	S	S	*	*			trans	50.1	151.7	144.8	-57.8	-26.1	0	0	0	124
625	G	23.6	Very low	30.3	Very low	84 Å²	84	124.6 Å²	124.6	87%	0.866	80%	0.801	S	S	*	*			trans	145.2	136.8	156	0	0	0	0	0	116
626	A	24.2	Very low	29.2	Very low	103 Å²	103	129.4 Å²	129.4	85%	0.851	81%	0.806	S	S	*	*			trans	-119	148.9	-178.9	0	0	0	0	0	114.5
627	A	26.3	Very low	29.1	Very low	106 Å²	106	127.4 Å²	127.4	88%	0.876	80%	0.799	S	S	*	*			trans	13.1	124.6	157.3	0	0	0	0	0	122.6
628	A	25.3	Very low	29	Very low	92 Å²	92	129.2 Å²	129.2	76%	0.76	80%	0.795	S	S	*	*			trans	-164.2	122.2	149.9	0	0	0	0	0	108.9
629	Q	28.2	Very low	27.9	Very low	184 Å²	184	135.2 Å²	135.2	86%	0.86	80%	0.803	S	S	*	*				92	149.5	68.7	-83.5	-163.2	16.4	0	0	116
630	S	26	Very low	27	Very low	111 Å²	111	139.9 Å²	139.9	78%	0.776	81%	0.805	S	S	*	*			trans	70.4	132.6	171.4	76.1	0	0	0	0	116.9
631	C	24.3	Very low	26.2	Very low	134 Å²	134	142.6 Å²	142.6	91%	0.905	81%	0.808	S	S	*	*			cis	98.7	94.6	25.4	-66.8	0	0	0	0	115.2
632	A	24.2	Very low	26.1	Very low	110 Å²	110	148 Å²	148	91%	0.909	81%	0.812	S	S	*	*			trans	-149.5	138.9	153.9	0	0	0	0	0	110.5
633	G	25.9	Very low	25.9	Very low	70 Å²	70	155.4 Å²	155.4	72%	0.722	82%	0.82	S	S	*	*			trans	-153.3	148.9	-179.8	0	0	0	0	0	114.2
634	K	26.5	Very low	25.8	Very low	202 Å²	202	158.8 Å²	158.8	88%	0.878	83%	0.825	S	S	*	*			trans	-173.1	156.4	175.7	-94.5	144.8	-178	177	0	107.8
635	K	25.4	Very low	27.2	Very low	178 Å²	178	155.1 Å²	155.1	77%	0.774	81%	0.811	S	S	*	*			cis	-179.1	128.3	-34.7	-124	177.3	179.6	174.4	0	107.4
636	R	26.4	Very low	27.2	Very low	202 Å²	202	159.1 Å²	159.1	76%	0.762	81%	0.807	S	S	*	*			trans	71.5	165.3	163.1	-45.3	165.7	85.3	169.7	8.7	114.4
637	H	27.1	Very low	27.4	Very low	145 Å²	145	161.8 Å²	161.8	67%	0.671	80%	0.802	S	S	*	*			cis	-157.2	134.1	3.2	-130.7	-13.1	0	0	0	114.1
638	R	26.6	Very low	27.7	Very low	197 Å²	197	163.5 Å²	163.5	74%	0.743	79%	0.792	S	S	*	*				50.3	119.6	125	-171.2	-165.3	-159.4	-173.2	6.7	121.5
639	R	26	Very low	28.1	Very low	238 Å²	238	166 Å²	166	90%	0.898	79%	0.788	S	S	*	*				-168.6	-177.8	118.5	-107.7	174.6	177.1	178.9	-1.2	114.7
640	R	26.3	Very low	28.3	Very low	218 Å²	218	165 Å²	165	82%	0.823	78%	0.783	S	S	*	*			trans	-145.7	173.6	-164.5	-100.2	-171.9	170.8	-165.9	-1.4	111.5
641	H	26.6	Very low	28.7	Very low	164 Å²	164	167 Å²	167	76%	0.759	78%	0.78	S	S	*	*			trans	87.4	134.7	168.5	-55.6	-90.5	0	0	0	115.3
642	R	26.3	Very low	29.2	Very low	226 Å²	226	168.8 Å²	168.8	85%	0.853	77%	0.772	S	S	*	*			cis	116.8	106.1	4.5	-177.4	-166.2	-173.1	-161.9	3.6	112.8
643	R	24.6	Very low	29.9	Very low	246 Å²	246	172.7 Å²	172.7	93%	0.928	77%	0.769	S	S	*	*			trans	-169.4	170.9	137.1	-105.4	165.5	-165.5	-137.9	2.1	112.8
644	L	26.5	Very low	30.3	Very low	155 Å²	155	176.9 Å²	176.9	81%	0.812	77%	0.767	S	S	*	*			trans	-139.5	-175.4	-167.5	-102.8	175.1	0	0	0	107.1
645	P	54.1	Low	30.5	Very low	92 Å²	92	175.5 Å²	175.5	60%	0.597	76%	0.764	S	S	*	*			cis	-97.7	-151.9	12	22	2	0	0	0	111.4
646	E	24.5	Very low	30.7	Very low	169 Å²	169	177.1 Å²	177.1	79%	0.79	77%	0.765	S	S	*	*			cis	-140.3	157.4	12.5	-68.7	157.6	-155.2	0	0	108.5
647	E	29.5	Very low	30.8	Very low	159 Å²	159	173.8 Å²	173.8	74%	0.743	76%	0.756	S	S	*	*			cis	84.9	120.4	34.7	-88.8	-164.5	-129.4	0	0	115
648	Q	30.6	Very low	30.8	Very low	141 Å²	141	175.3 Å²	175.3	66%	0.659	76%	0.763	S	S	*	*			cis	-141	153	12.1	-65.7	-175.2	-19.9	0	0	115
649	Q	33.8	Very low	30.9	Very low	146 Å²	146	175.4 Å²	175.4	68%	0.682	77%	0.769	S	S	*	*			trans	61.7	148.3	137.5	-75.6	-179.3	-39.1	0	0	122.4
650	E	33.2	Very low	30.8	Very low	161 Å²	161	168.7 Å²	168.7	75%	0.752	76%	0.764	S	S	*	*			cis	-153.2	-168.5	-12.5	-138.2	163.2	-137.6	0	0	115.2
651	E	33.6	Very low	30.9	Very low	154 Å²	154	168.1 Å²	168.1	72%	0.72	77%	0.768	S	S	*	*			trans	-87.9	159.5	-158.7	-70.5	-139.4	105.5	0	0	115.3
652	K	35.7	Very low	30.9	Very low	171 Å²	171	169 Å²	169	74%	0.743	77%	0.772	S	S	*	*			cis	79.2	109.7	42.7	-86.6	178.3	-170.9	160.9	0	116.8
653	K	38.1	Very low	30.9	Very low	192 Å²	192	165.3 Å²	165.3	84%	0.835	77%	0.765	S	S	*	*				43.5	131	124.6	-85.9	177.1	177.3	169.5	0	121
654	K	35.2	Very low	31	Very low	159 Å²	159	162.5 Å²	162.5	69%	0.691	76%	0.759	S	S	*	*				119.7	141.5	121.5	-92.4	170.6	163.4	-169.3	0	120.6
655	H	31.1	Very low	31	Very low	173 Å²	173	163.5 Å²	163.5	80%	0.801	76%	0.757	S	S	*	*			trans	73.8	105.5	139.2	-68.9	-30.2	0	0	0	123.7
656	R	28.9	Very low	29.5	Very low	211 Å²	211	163.6 Å²	163.6	80%	0.796	76%	0.76	S	S	*	*				61.4	126.1	103.5	-145.1	-160.1	-174.7	-178.1	4.2	120.3
657	K	29.5	Very low	29.6	Very low	132 Å²	132	164.7 Å²	164.7	57%	0.574	76%	0.757	S	S	*	*			trans	89	108.8	136.5	-132.1	-175.7	173	-162	0	120.2
658	H	26.5	Very low	29.3	Very low	178 Å²	178	164.4 Å²	164.4	82%	0.824	76%	0.755	S	S	*	*				166.8	112.2	101.8	-97.6	-71	0	0	0	117.6
659	K	29	Very low	28.9	Very low	198 Å²	198	164.9 Å²	164.9	86%	0.861	76%	0.758	S	S	*	*			trans	26.5	105.5	130.8	-166	-178	-174.5	179.3	0	122.7
660	A	24.4	Very low	28.4	Very low	98 Å²	98	167 Å²	167	81%	0.81	77%	0.768	S	S	*	*			trans	-169.1	137.6	137.5	0	0	0	0	0	107.9
661	K	26.8	Very low	28	Very low	205 Å²	205	165.2 Å²	165.2	89%	0.891	77%	0.773	S	S	*	*			cis	96	73.5	31.5	-161.3	-162.9	178.1	-176.9	0	115
662	Q	27.4	Very low	27.4	Very low	184 Å²	184	163.3 Å²	163.3	86%	0.86	78%	0.777	S	S	*	*			trans	-175.3	160.5	157.1	-99.4	177.5	16.3	0	0	106.6
663	Q	26.1	Very low	26.7	Very low	148 Å²	148	159.8 Å²	159.8	69%	0.692	77%	0.774	S	S	*	*			cis	-169.5	163.9	-31.5	-146.2	-174.1	27.7	0	0	106.6
664	K	27	Very low	26.1	Very low	186 Å²	186	154.2 Å²	154.2	81%	0.809	76%	0.759	S	S	*	*			trans	67.7	148.5	166.2	-77.1	174	-176.4	173.3	0	115.8
665	K	25.3	Very low	25.5	Very low	176 Å²	176	155.9 Å²	155.9	77%	0.765	77%	0.769	S	S	*	*			cis	-167.5	148.8	-14.1	-168	-163.2	178.8	-161.1	0	108.2
666	S	24.5	Very low	25.3	Very low	95 Å²	95	153.6 Å²	153.6	66%	0.664	76%	0.763	S	S	*	*			trans	58.4	143.3	152.3	42.9	0	0	0	0	119.5
667	R	24.6	Very low	25.2	Very low	191 Å²	191	148.3 Å²	148.3	72%	0.721	76%	0.758	S	S	*	*			cis	-168.2	162.1	-13.6	-165.1	-166.8	179	-169.4	-0.7	107	E669	R667-E669 IonicContact CZ-OE1 3.22Å; R667-E669 IonicContact NH1-OE1 3.72Å; R667-E669 PolarHBondContact NH1-OE1 3.44Å
668	E	23.5	Very low	24.9	Very low	153 Å²	153	151.4 Å²	151.4	72%	0.715	78%	0.775	S	S	*	*			trans	-63.1	135	155.1	-36.8	91.8	139.3	0	0	110.3
669	E	23.4	Very low	24.9	Very low	152 Å²	152	145.9 Å²	145.9	71%	0.71	77%	0.766	S	S	*	*			trans	-142.3	116.5	134	-59.4	-167.7	174	0	0	103.2	R667	R667-E669 IonicContact CZ-OE1 3.22Å; R667-E669 IonicContact NH1-OE1 3.72Å; R667-E669 PolarHBondContact NH1-OE1 3.44Å
670	E	23.1	Very low	24.9	Very low	189 Å²	189	143.2 Å²	143.2	88%	0.883	77%	0.766	S	S	*	*				63.9	138.9	74.1	-71.1	-160.1	141	0	0	114.2	S672	E670-S672 PolarHBondContact O-N 3.14Å
671	S	24.1	Very low	25.1	Very low	125 Å²	125	147 Å²	147	87%	0.874	77%	0.767	S	S	*	*			trans	-76.3	114.9	-166.8	53	0	0	0	0	113.6
672	S	20.6	Very low	25.7	Very low	114 Å²	114	142.6 Å²	142.6	80%	0.797	76%	0.759	S	S	*	*			trans	-160.1	161.4	151.9	71.2	0	0	0	0	108.6	E670	E670-S672 PolarHBondContact O-N 3.14Å
673	S	22	Very low	25.7	Very low	96 Å²	96	138.9 Å²	138.9	67%	0.671	75%	0.754	S	S	*	*			cis	-152.5	173	12.1	60.6	0	0	0	0	112.3
674	S	25.3	Very low	25.9	Very low	75 Å²	75	137.5 Å²	137.5	52%	0.524	76%	0.756	S	S	.	*			trans	45.8	113.9	141.2	63.3	0	0	0	0	120.2
675	E	22.2	Very low	26.1	Very low	194 Å²	194	136 Å²	136	91%	0.907	76%	0.756	S	S	*	*				-107.1	124.9	84.1	-62.3	-178.6	151.1	0	0	105.1
676	D	26.3	Very low	26.3	Very low	125 Å²	125	134.6 Å²	134.6	67%	0.668	76%	0.757	S	S	*	*				59.7	127.3	68.2	-74.9	-48.2	0	0	0	113.3
677	S	27.5	Very low	26.5	Very low	101 Å²	101	136.3 Å²	136.3	71%	0.706	76%	0.758	S	S	*	*			cis	-159.2	164.5	-9.9	-126.8	0	0	0	0	110.4
678	E	23.3	Very low	26.8	Very low	196 Å²	196	134.4 Å²	134.4	92%	0.916	76%	0.761	S	S	*	*			trans	152.8	149.5	143.4	-90.1	-168.5	-167.3	0	0	110.3
679	G	27.1	Very low	27.1	Very low	62 Å²	62	138.5 Å²	138.5	64%	0.639	77%	0.771	S	S	*	*			cis	157.7	56.1	10.4	0	0	0	0	0	111
680	V	29.1	Very low	27.2	Very low	143 Å²	143	142 Å²	142	87%	0.867	78%	0.777	S	S	*	*			trans	14.1	111.8	156.8	-178.2	0	0	0	0	116.9
681	Q	27.6	Very low	27.4	Very low	177 Å²	177	137 Å²	137	83%	0.827	76%	0.763	S	S	*	*			trans	-68.1	158.2	161.8	-69.8	-171.4	-12.9	0	0	111.8
682	P	39.4	Very low	27.5	Very low	112 Å²	112	140 Å²	140	73%	0.727	76%	0.763	S	S	*	*			cis	-132	-174.8	-1.4	35.7	-16.7	0	0	0	115.2
683	S	27.2	Very low	27.8	Very low	106 Å²	106	139.4 Å²	139.4	74%	0.741	77%	0.765	S	S	*	*			trans	96.2	128	154.5	73.1	0	0	0	0	120.6
684	T	31.2	Very low	27.9	Very low	120 Å²	120	144.2 Å²	144.2	74%	0.736	78%	0.777	S	S	*	*			trans	56.7	102.4	160.3	53.7	0	0	0	0	120.5
685	D	31.5	Very low	27.9	Very low	154 Å²	154	149.7 Å²	149.7	82%	0.824	79%	0.794	S	S	*	*			trans	52.9	125.1	134	-55.9	-50.2	0	0	0	123.3
686	D	29	Very low	28	Very low	146 Å²	146	149.3 Å²	149.3	78%	0.781	79%	0.792	S	S	*	*				115.7	142.9	126.6	-130.6	-14.8	0	0	0	121.3
687	L	28.1	Very low	28.8	Very low	131 Å²	131	148.3 Å²	148.3	69%	0.686	79%	0.793	S	S	*	*			trans	69.4	97.5	162	-55.4	-179.6	0	0	0	123.5
688	L	31.1	Very low	28.4	Very low	151 Å²	151	150.6 Å²	150.6	79%	0.791	80%	0.797	S	S	*	*				36.3	139.2	119.1	-55.1	173.7	0	0	0	119.8
689	R	29.8	Very low	29.4	Very low	240 Å²	240	146.4 Å²	146.4	91%	0.906	79%	0.787	S	S	*	*			cis	-170.9	-166.7	42.9	-146.6	173.7	-179.9	158.5	-0.4	112.5
690	R	26.2	Very low	29.3	Very low	226 Å²	226	151.3 Å²	151.3	85%	0.853	79%	0.793	S	S	*	*			trans	-121.1	164.5	-161.8	-127.3	-176.1	-171.7	175	0.7	113.9
691	S	26.2	Very low	29.2	Very low	84 Å²	84	151.8 Å²	151.8	59%	0.587	79%	0.785	S	S	*	*			trans	75.2	121.8	137.5	61.4	0	0	0	0	123.9
692	E	26.3	Very low	28.9	Very low	187 Å²	187	150.4 Å²	150.4	87%	0.874	78%	0.783	S	S	*	*				65.1	124.3	123	-59.8	166.8	145.5	0	0	121.5
693	A	27.2	Very low	28.2	Very low	101 Å²	101	150.6 Å²	150.6	84%	0.835	78%	0.782	S	S	*	*				161	153	108.6	0	0	0	0	0	113.2
694	E	24.2	Very low	28.1	Very low	197 Å²	197	150.9 Å²	150.9	92%	0.921	78%	0.779	S	S	*	*			trans	-134.3	159.6	160.3	-108.4	-156	156.3	0	0	110.6
695	E	25.2	Very low	27.7	Very low	191 Å²	191	156 Å²	156	89%	0.893	79%	0.785	S	S	*	*			trans	-122.6	172	-172.1	-65.5	-169.1	110	0	0	114
696	H	24.2	Very low	27.4	Very low	185 Å²	185	159.8 Å²	159.8	86%	0.856	79%	0.788	S	S	*	*			trans	-73.9	176.8	168.8	-76.2	-62.3	0	0	0	112.8
697	P	42.6	Very low	27.2	Very low	105 Å²	105	157.1 Å²	157.1	68%	0.682	79%	0.786	S	S	*	*			cis	-138.3	-167.1	-25.5	33.9	-11.5	0	0	0	114.1
698	D	20.4	Very low	27	Very low	149 Å²	149	160.7 Å²	160.7	80%	0.797	79%	0.792	S	S	*	*			trans	-3.3	159.4	142.3	-70.7	-21.4	0	0	0	121.2
699	P	43.5	Very low	26.8	Very low	108 Å²	108	159.6 Å²	159.6	70%	0.701	79%	0.785	S	S	*	*			cis	-143.1	-167.6	-7.5	37.1	-14.4	0	0	0	116.7
700	E	25.4	Very low	26.5	Very low	165 Å²	165	154.4 Å²	154.4	77%	0.771	78%	0.775	S	S	*	*			trans	80.8	121.2	145.4	-87.4	-177	-152.4	0	0	124.6
701	H	26.3	Very low	26.5	Very low	152 Å²	152	151.2 Å²	151.2	70%	0.704	77%	0.774	S	S	*	*			trans	79.1	123.2	136.6	-85.2	-56.3	0	0	0	125.5
702	L	22.8	Very low	26.5	Very low	149 Å²	149	154.1 Å²	154.1	78%	0.78	78%	0.782	S	S	*	*			trans	90.4	127.9	135	-71	164.8	0	0	0	123.1
703	V	24.2	Very low	26.6	Very low	115 Å²	115	148.5 Å²	148.5	70%	0.697	76%	0.763	S	S	*	*			trans	94.4	92.3	134.6	167.4	0	0	0	0	121.4
704	T	24.2	Very low	26.4	Very low	113 Å²	113	150.4 Å²	150.4	69%	0.693	76%	0.759	S	S	*	*			trans	89.4	129	131.5	60.2	0	0	0	0	125.5
705	R	23.3	Very low	26.4	Very low	228 Å²	228	150.3 Å²	150.3	86%	0.86	76%	0.756	S	S	*	*			trans	91.4	136.5	131.2	-84.1	168.3	174.2	-168.1	-1.5	121.3
706	R	26.3	Very low	26.4	Very low	233 Å²	233	148.9 Å²	148.9	88%	0.879	75%	0.749	S	S	*	*			trans	66.9	109.5	168.3	-64.3	170.9	172.4	162.4	-4.7	114.2
707	A	23.1	Very low	26.3	Very low	89 Å²	89	147.2 Å²	147.2	74%	0.736	75%	0.745	S	S	*	*			cis	79.6	92.9	20.3	0	0	0	0	0	116.7
708	Y	24.9	Very low	25.3	Very low	207 Å²	207	149.5 Å²	149.5	81%	0.812	75%	0.752	S	S	*	*			trans	-138.5	130.4	153.7	-96.8	-102.3	0	0	0	105.9
709	I	26.1	Very low	25.5	Very low	127 Å²	127	151.1 Å²	151.1	65%	0.651	75%	0.754	S	S	*	*				79.9	123.2	63.3	-75.1	165	0	0	0	110.9
710	L	23.5	Very low	24.6	Very low	131 Å²	131	154.6 Å²	154.6	69%	0.686	77%	0.766	S	S	*	*			cis	-151.9	149.5	1.4	-112.4	171.2	0	0	0	113.3
711	L	25.9	Very low	24.5	Very low	160 Å²	160	152.4 Å²	152.4	84%	0.838	77%	0.769	S	S	*	*			trans	-66.5	132.7	145.2	-89.8	157.7	0	0	0	109.7
712	L	27.8	Very low	24.4	Very low	144 Å²	144	149 Å²	149	75%	0.754	78%	0.775	S	S	*	*			trans	-132.1	115.8	151.7	-74.5	175.6	0	0	0	108.5
713	S	28.4	Very low	24.3	Very low	69 Å²	69	145.9 Å²	145.9	48%	0.483	78%	0.779	S	S	.	*				90.4	130.6	60.8	-164.9	0	0	0	0	109.2
714	N	23.2	Very low	24.2	Very low	141 Å²	141	144.3 Å²	144.3	75%	0.754	79%	0.786	S	S	*	*				-136	121.6	59.2	-71.4	-50	0	0	0	117.7
715	K	24.1	Very low	24.2	Very low	196 Å²	196	143.1 Å²	143.1	85%	0.852	79%	0.787	S	S	*	*				-90.7	126.4	129.4	-78.3	-175.7	176.9	-179.6	0	108.5
716	H	24.3	Very low	24.2	Very low	161 Å²	161	141 Å²	141	75%	0.745	79%	0.785	S	S	*	*			trans	-147.9	140.5	145	-87.9	-83.7	0	0	0	105.8
717	L	22.6	Very low	24.1	Very low	149 Å²	149	138 Å²	138	78%	0.78	78%	0.783	S	S	*	*			cis	-117.9	151.7	10.7	-61.4	81.8	0	0	0	111.9
718	N	21.6	Very low	24	Very low	153 Å²	153	137.7 Å²	137.7	82%	0.818	79%	0.788	S	S	*	*				-179.3	112.9	118.8	-95.1	-9.9	0	0	0	110.5
719	H	23.7	Very low	24	Very low	183 Å²	183	133.6 Å²	133.6	85%	0.847	79%	0.79	S	S	*	*			trans	-168.7	115.3	156	-111.5	-72.6	0	0	0	109.6
720	L	24.8	Very low	24	Very low	182 Å²	182	131 Å²	131	95%	0.953	80%	0.795	S	S	*	*			trans	-168.8	79.6	149.5	-112.3	171.9	0	0	0	110.5
721	S	24.2	Very low	24.8	Very low	118 Å²	118	130.8 Å²	130.8	83%	0.825	80%	0.801	S	S	*	*			trans	-148.3	154.4	152.8	67.9	0	0	0	0	108.2
722	G	22.6	Very low	24.7	Very low	80 Å²	80	132.4 Å²	132.4	83%	0.825	80%	0.804	S	S	*	*			trans	-178.4	154.6	177.5	0	0	0	0	0	112.3
723	G	22.1	Very low	24.7	Very low	85 Å²	85	134.5 Å²	134.5	88%	0.876	81%	0.81	S	S	*	*			trans	96.6	78.4	164.4	0	0	0	0	0	117.3
724	G	21.9	Very low	24.5	Very low	81 Å²	81	137.1 Å²	137.1	84%	0.835	83%	0.828	S	S	*	*			trans	91.9	149.8	154.8	0	0	0	0	0	117.1
725	A	23.7	Very low	24.5	Very low	88 Å²	88	134.8 Å²	134.8	73%	0.727	82%	0.823	S	S	*	*			cis	-161.1	174.3	-6.5	0	0	0	0	0	112.4
726	F	23.4	Very low	24.6	Very low	185 Å²	185	132 Å²	132	81%	0.811	83%	0.827	S	S	*	*			trans	77	92.6	165.6	-77.7	-83.3	0	0	0	121.9
727	M	23.4	Very low	24.4	Very low	170 Å²	170	131.2 Å²	131.2	84%	0.837	83%	0.828	S	S	*	*			trans	25.3	133.6	132.3	-66.6	-170.2	-74.4	0	0	123.8
728	G	22.8	Very low	24.6	Very low	82 Å²	82	130.5 Å²	130.5	85%	0.845	83%	0.83	S	S	*	*			trans	99.3	135.1	147.5	0	0	0	0	0	115.6
729	S	25	Very low	24.8	Very low	121 Å²	121	130.8 Å²	130.8	85%	0.846	83%	0.83	S	S	*	*			cis	-156.8	147.5	-9.9	49	0	0	0	0	109.3
730	G	24.6	Very low	24.7	Very low	73 Å²	73	134.1 Å²	134.1	75%	0.753	84%	0.836	S	S	*	*			trans	-89.6	-155.7	174.3	0	0	0	0	0	112.9
731	P	40.4	Very low	24.6	Very low	125 Å²	125	130.3 Å²	130.3	81%	0.812	82%	0.824	S	S	*	*			cis	-131.4	-174.9	-4.1	43.2	-28.3	0	0	0	113.6
732	E	24.5	Very low	24.6	Very low	194 Å²	194	130.8 Å²	130.8	91%	0.907	83%	0.827	S	S	*	*			trans	-165.4	154.5	134.3	-117.3	172.1	-154.8	0	0	112.5
733	E	27	Very low	24.6	Very low	188 Å²	188	131.8 Å²	131.8	88%	0.879	82%	0.822	S	S	*	*			trans	-125.3	149.9	178.2	-67.3	-174.3	122.5	0	0	110.8
734	S	24.7	Very low	24.7	Very low	124 Å²	124	136.8 Å²	136.8	87%	0.867	82%	0.82	S	S	*	*			trans	147.7	153.3	154.7	54.2	0	0	0	0	110.7
735	S	23.2	Very low	24.8	Very low	93 Å²	93	139.8 Å²	139.8	65%	0.65	82%	0.816	S	S	*	*			cis	-146.4	159	-25.2	179.6	0	0	0	0	107.8
736	C	25.4	Very low	25	Very low	136 Å²	136	144.7 Å²	144.7	92%	0.919	82%	0.824	S	S	*	*			trans	-137.2	62.6	178.8	-83.7	0	0	0	0	112
737	D	21.3	Very low	25.2	Very low	146 Å²	146	139.2 Å²	139.2	78%	0.781	82%	0.82	S	S	*	*			trans	-110	114.6	167.4	-91.3	-53.6	0	0	0	110.5
738	V	25.7	Very low	25.7	Very low	134 Å²	134	135.1 Å²	135.1	81%	0.812	82%	0.821	S	S	*	*				-175.1	116.1	127.7	171.2	0	0	0	0	107.2
739	L	26.2	Very low	26.1	Very low	158 Å²	158	139.5 Å²	139.5	83%	0.827	81%	0.812	S	S	*	*			trans	161.7	73.8	139.8	-87.5	-178.2	0	0	0	110.5
740	R	22.6	Very low	26.5	Very low	254 Å²	254	137.2 Å²	137.2	96%	0.958	80%	0.8	S	S	*	*			trans	-119	83.2	165.4	-93.9	-173.8	168	178.1	-1.7	110.1
741	S	22.7	Very low	26.9	Very low	101 Å²	101	140.8 Å²	140.8	71%	0.706	80%	0.798	S	S	*	*			trans	-165.5	97.3	171.1	42.7	0	0	0	0	113.3
742	S	23.1	Very low	26.3	Very low	129 Å²	129	136.7 Å²	136.7	90%	0.902	78%	0.778	S	S	*	*			trans	178.1	108.1	145	29.1	0	0	0	0	110.8
743	S	23.3	Very low	26.4	Very low	101 Å²	101	134.4 Å²	134.4	71%	0.706	76%	0.761	S	S	*	*			trans	-124.7	154.4	166.2	51.8	0	0	0	0	109
744	F	24	Very low	26.7	Very low	189 Å²	189	132.1 Å²	132.1	83%	0.829	75%	0.749	S	S	*	*			trans	65.3	139.3	-167.7	-58.3	-90.6	0	0	0	113.3
745	L	24.4	Very low	27.2	Very low	144 Å²	144	131.5 Å²	131.5	75%	0.754	74%	0.735	S	S	*	*			cis	-124.9	155.9	20.3	-81.9	155.7	0	0	0	114.1
746	E	27.2	Very low	27.5	Very low	191 Å²	191	131.5 Å²	131.5	89%	0.893	73%	0.728	S	S	*	*			trans	-81	158.3	163.7	-65	177.6	105.5	0	0	111.5
747	G	27	Very low	27.8	Very low	71 Å²	71	130.9 Å²	130.9	73%	0.732	71%	0.714	S	S	*	*	S	Bend	trans	120.6	120.1	173.9	0	0	0	0	0	114.2
748	G	34.5	Very low	28.6	Very low	84 Å²	84	125.8 Å²	125.8	87%	0.866	69%	0.687	S	S	*	*			trans	62.7	74.9	161.4	0	0	0	0	0	117.5
749	R	31.5	Very low	28.9	Very low	173 Å²	173	121.9 Å²	121.9	65%	0.653	67%	0.668	S	S	*	*			trans	-126.7	97.7	169.6	-63.4	-169.1	-168.9	-172.9	6.7	113.4	W753	R749-W753 VanDerWaalsContact O-CD1 3.3Å
750	A	32.6	Very low	29.2	Very low	73 Å²	73	121.6 Å²	121.6	60%	0.603	66%	0.657	S	S	*	*	S	Bend	trans	-120.7	-44.8	155.6	0	0	0	0	0	110.5
751	E	33.2	Very low	29.8	Very low	149 Å²	149	110.6 Å²	110.6	70%	0.696	62%	0.624	S	S	*	*	H	α-helix	trans	-73.8	-36.1	176.7	-56.8	-169.4	135.9	0	0	112.6	W753 K754 N755	E751-W753 PolarHBondContact O-N 3.17Å; E751-K754 WeakPolarHBondContact O-CB 3.21Å; E751-K754 PolarHBondContact O-N 3.47Å; E751-N755 PolarHBondContact O-N 3.32Å
752	G	27.8	Very low	30.8	Very low	39 Å²	39	106.2 Å²	106.2	40%	0.402	59%	0.592	S	S	.	*	H	α-helix	trans	-55.7	-34.2	173.9	0	0	0	0	0	113.2	L756	G752-L756 WeakPolarHBondContact O-CB 3.28Å; G752-L756 PolarHBondContact O-N 3.27Å
753	W	28.1	Very low	31.6	Very low	145 Å²	145	105.4 Å²	105.4	55%	0.549	57%	0.572	S	S	.	*	H	α-helix	trans	-72.7	-35.3	173.8	-70.5	102.6	0	0	0	112.8	R749 E751 L756 L757	R749-W753 VanDerWaalsContact O-CD1 3.3Å; E751-W753 PolarHBondContact O-N 3.17Å; W753-L756 HydrophobicContact CE3-CD2 4.19Å; W753-L756 HydrophobicContact CZ3-CD2 4.31Å; W753-L756 PolarHBondContact O-N 3.29Å; W753-L757 WeakPolarHBondContact O-CB 3.3Å; W753-L757 WeakPolarHBondContact O-CD1 3.2Å; W753-L757 PolarHBondContact O-N 3.15Å
754	K	32.3	Very low	32.2	Very low	141 Å²	141	103.3 Å²	103.3	61%	0.613	55%	0.553	S	S	*	*	H	α-helix	trans	-65.5	-45.6	174.4	-66.3	178.9	-177.9	174.1	0	110.9	E751 L756 L757 I758	E751-K754 WeakPolarHBondContact O-CB 3.21Å; E751-K754 PolarHBondContact O-N 3.47Å; K754-L756 VanDerWaalsContact C-N 3.34Å; K754-L757 PolarHBondContact O-N 2.68Å; K754-I758 WeakPolarHBondContact O-CB 3.33Å; K754-I758 VanDerWaalsContact O-CG1 3.25Å; K754-I758 WeakPolarHBondContact O-CG1 3.46Å; K754-I758 PolarHBondContact O-N 3.03Å
755	N	34.6	Very low	33.2	Very low	110 Å²	110	95.5 Å²	95.5	59%	0.588	52%	0.518	S	S	*	.	H	α-helix	trans	-68.3	-34.5	175.9	-70.7	-2.2	0	0	0	111.7	E751 A759	E751-N755 PolarHBondContact O-N 3.32Å; N755-A759 WeakPolarHBondContact O-CB 3.42Å; N755-A759 PolarHBondContact O-N 3.19Å
756	L	30.5	Very low	34	Very low	94 Å²	94	89.8 Å²	89.8	49%	0.492	49%	0.488	S	S	.	.	H	α-helix	trans	-66.7	-40.9	172.4	-169.6	70.4	0	0	0	111.9	G752 W753 K754 A759 Y760	G752-L756 WeakPolarHBondContact O-CB 3.28Å; G752-L756 PolarHBondContact O-N 3.27Å; W753-L756 HydrophobicContact CE3-CD2 4.19Å; W753-L756 HydrophobicContact CZ3-CD2 4.31Å; W753-L756 PolarHBondContact O-N 3.29Å; K754-L756 VanDerWaalsContact C-N 3.34Å; L756-A759 CarbonylContact O-C 3.59Å; L756-A759 PolarHBondContact O-N 3.42Å; L756-Y760 VanDerWaalsContact O-CB 3.27Å; L756-Y760 WeakPolarHBondContact O-CB 3.35Å; L756-Y760 PolarHBondContact O-N 3.5Å
757	L	31.1	Very low	34.4	Very low	122 Å²	122	87.3 Å²	87.3	64%	0.639	47%	0.471	S	S	*	.	H	α-helix	trans	-72.9	-30.6	175.7	-94.1	138.9	0	0	0	113.1	W753 K754 G761	W753-L757 WeakPolarHBondContact O-CB 3.3Å; W753-L757 WeakPolarHBondContact O-CD1 3.2Å; W753-L757 PolarHBondContact O-N 3.15Å; K754-L757 PolarHBondContact O-N 2.68Å; L757-G761 PolarHBondContact O-N 3.01Å
758	I	38.6	Very low	34.9	Very low	40 Å²	40	87.4 Å²	87.4	21%	0.205	45%	0.452	C	S	.	.	H	α-helix	trans	-68.6	-47.6	169.7	-73.4	165.2	0	0	0	109.3	K754 Y760 G761 I762 V959	K754-I758 WeakPolarHBondContact O-CB 3.33Å; K754-I758 VanDerWaalsContact O-CG1 3.25Å; K754-I758 WeakPolarHBondContact O-CG1 3.46Å; K754-I758 PolarHBondContact O-N 3.03Å; I758-Y760 VanDerWaalsContact C-N 3.33Å; I758-Y760 PolarHBondContact O-N 2.72Å; I758-G761 PolarHBondContact O-N 2.98Å; I758-I762 HydrophobicContact CG2-CD1 3.59Å; I758-I762 HydrophobicContact CG2-CG1 4.35Å; I758-I762 VanDerWaalsContact O-CB 3.29Å; I758-I762 WeakPolarHBondContact O-CB 3.37Å; I758-I762 WeakPolarHBondContact O-CG1 3.37Å; I758-I762 PolarHBondContact O-N 3.36Å; I758-V959 HydrophobicContact CG2-CG2 3.78Å
759	A	31.8	Very low	35.2	Very low	51 Å²	51	84.3 Å²	84.3	42%	0.421	41%	0.414	S	S	.	.	H	α-helix	trans	-60.9	-39.6	173	0	0	0	0	0	111.8	N755 L756 I762 F763	N755-A759 WeakPolarHBondContact O-CB 3.42Å; N755-A759 PolarHBondContact O-N 3.19Å; L756-A759 CarbonylContact O-C 3.59Å; L756-A759 PolarHBondContact O-N 3.42Å; A759-I762 PolarHBondContact O-N 3.22Å; A759-F763 WeakPolarHBondContact O-CB 3.44Å; A759-F763 PolarHBondContact O-N 3.07Å
760	Y	32.5	Very low	35.4	Very low	152 Å²	152	76.4 Å²	76.4	60%	0.596	39%	0.385	S	S	*	.	H	α-helix	trans	-68	-41.5	175.4	-137.3	-109.9	0	0	0	111.1	L756 I758 F763 L764	L756-Y760 VanDerWaalsContact O-CB 3.27Å; L756-Y760 WeakPolarHBondContact O-CB 3.35Å; L756-Y760 PolarHBondContact O-N 3.5Å; I758-Y760 VanDerWaalsContact C-N 3.33Å; I758-Y760 PolarHBondContact O-N 2.72Å; Y760-F763 CarbonylContact O-C 3.6Å; Y760-F763 PolarHBondContact O-N 2.86Å; Y760-L764 HydrophobicContact CD1-CD1 3.56Å; Y760-L764 HydrophobicContact CE1-CD1 3.83Å; Y760-L764 HydrophobicContact CG-CD1 4.28Å; Y760-L764 VanDerWaalsContact O-CB 3.28Å; Y760-L764 WeakPolarHBondContact O-CB 3.37Å; Y760-L764 WeakPolarHBondContact O-CD1 3.5Å; Y760-L764 PolarHBondContact O-N 2.75Å
761	G	34.9	Very low	35.3	Very low	24 Å²	24	80.9 Å²	80.9	25%	0.247	39%	0.391	C	S	.	.	H	α-helix	trans	-66	-37.1	175.1	0	0	0	0	0	112.8	L757 I758 L764 R765 W977	L757-G761 PolarHBondContact O-N 3.01Å; I758-G761 PolarHBondContact O-N 2.98Å; G761-L764 PolarHBondContact O-N 2.92Å; G761-R765 WeakPolarHBondContact O-CB 3.49Å; G761-R765 PolarHBondContact O-N 2.73Å; G761-W977 VanDerWaalsContact C-CH2 3.46Å; G761-W977 WeakPolarHBondContact O-CH2 3.4Å
762	I	43.8	Very low	35.1	Very low	8 Å²	8	80.5 Å²	80.5	4%	0.041	39%	0.388	C	S	.	.	H	α-helix	trans	-68.1	-51.1	174.6	-73.4	167.7	0	0	0	108.5	I758 A759 L764 R765 M766 T916 A934 V959 W977	I758-I762 HydrophobicContact CG2-CD1 3.59Å; I758-I762 HydrophobicContact CG2-CG1 4.35Å; I758-I762 VanDerWaalsContact O-CB 3.29Å; I758-I762 WeakPolarHBondContact O-CB 3.37Å; I758-I762 WeakPolarHBondContact O-CG1 3.37Å; I758-I762 PolarHBondContact O-N 3.36Å; A759-I762 PolarHBondContact O-N 3.22Å; I762-L764 VanDerWaalsContact C-N 3.28Å; I762-L764 PolarHBondContact O-N 3.22Å; I762-R765 PolarHBondContact O-N 2.71Å; I762-R765 VanDerWaalsContact O-N 3.13Å; I762-M766 HydrophobicContact CG2-CG 4.21Å; I762-M766 HydrophobicContact CG2-SD 3.41Å; I762-M766 WeakPolarHBondContact CG2-SD 3.48Å; I762-M766 WeakPolarHBondContact O-CB 2.85Å; I762-M766 WeakPolarHBondContact O-CG 3.42Å; I762-M766 PolarHBondContact O-N 3.5Å; I762-T916 HydrophobicContact CG2-CG2 4.19Å; I762-A934 HydrophobicContact CD1-CB 3.49Å; I762-A934 VanDerWaalsContact CD1-CB 3.49Å; I762-V959 HydrophobicContact CD1-CG2 4.41Å; I762-W977 HydrophobicContact CB-CH2 4.46Å; I762-W977 HydrophobicContact CG1-CH2 3.71Å; I762-W977 HydrophobicContact CG1-CZ3 4.19Å
763	F	40.1	Very low	35.4	Very low	112 Å²	112	79.4 Å²	79.4	49%	0.491	37%	0.374	S	S	.	.	H	α-helix	trans	-56.6	-38.8	173.7	-169.1	-91.1	0	0	0	111.7	A759 Y760 Y767	A759-F763 WeakPolarHBondContact O-CB 3.44Å; A759-F763 PolarHBondContact O-N 3.07Å; Y760-F763 CarbonylContact O-C 3.6Å; Y760-F763 PolarHBondContact O-N 2.86Å; F763-Y767 HydrophobicContact CE1-CD2 4.42Å; F763-Y767 WeakPolarHBondContact O-CA 3.3Å; F763-Y767 WeakPolarHBondContact O-CB 3.31Å; F763-Y767 PolarHBondContact O-N 3.41Å
764	L	36.5	Very low	35.8	Very low	58 Å²	58	73.2 Å²	73.2	30%	0.304	35%	0.35	S	S	.	.	H	α-helix	trans	-65.9	-49.7	172.8	-99.6	68.2	0	0	0	111.6	Y760 G761 I762 M766 Y767 F768	Y760-L764 HydrophobicContact CD1-CD1 3.56Å; Y760-L764 HydrophobicContact CE1-CD1 3.83Å; Y760-L764 HydrophobicContact CG-CD1 4.28Å; Y760-L764 VanDerWaalsContact O-CB 3.28Å; Y760-L764 WeakPolarHBondContact O-CB 3.37Å; Y760-L764 WeakPolarHBondContact O-CD1 3.5Å; Y760-L764 PolarHBondContact O-N 2.75Å; G761-L764 PolarHBondContact O-N 2.92Å; I762-L764 VanDerWaalsContact C-N 3.28Å; I762-L764 PolarHBondContact O-N 3.22Å; L764-M766 VanDerWaalsContact C-N 3.28Å; L764-M766 PolarHBondContact O-N 2.93Å; L764-Y767 PolarHBondContact O-N 2.76Å; L764-F768 HydrophobicContact CB-CD2 4.12Å; L764-F768 HydrophobicContact CB-CE2 3.98Å; L764-F768 HydrophobicContact CD2-CE2 3.92Å; L764-F768 HydrophobicContact CG-CD2 4.28Å; L764-F768 HydrophobicContact CG-CE2 3.64Å; L764-F768 HydrophobicContact CG-CZ 4.35Å; L764-F768 VanDerWaalsContact O-CB 3.28Å; L764-F768 WeakPolarHBondContact O-CB 3.46Å; L764-F768 WeakPolarHBondContact O-CD2 3.3Å; L764-F768 VanDerWaalsContact O-CG 3.27Å; L764-F768 WeakPolarHBondContact O-CG 3.18Å; L764-F768 PolarHBondContact O-N 3.19Å
765	R	44.4	Very low	35.8	Very low	25 Å²	25	67.7 Å²	67.7	9%	0.094	33%	0.329	C	S	.	.	H	α-helix	trans	-57.8	-45.4	175.8	174.3	173.8	-179.8	-128	3.7	110.8	G761 I762 F768 R769 S961 W977 S1008 Y1024	G761-R765 WeakPolarHBondContact O-CB 3.49Å; G761-R765 PolarHBondContact O-N 2.73Å; I762-R765 PolarHBondContact O-N 2.71Å; I762-R765 VanDerWaalsContact O-N 3.13Å; R765-F768 PolarHBondContact O-N 2.9Å; R765-R769 WeakPolarHBondContact O-CB 3.23Å; R765-R769 PolarHBondContact O-N 2.81Å; R765-S961 VanDerWaalsContact CZ-O 3.24Å; R765-S961 PolarHBondContact NH1-O 2.79Å; R765-S961 PolarHBondContact NH2-O 2.87Å; R765-W977 HydrophobicContact CB-CZ2 4Å; R765-W977 HydrophobicContact CG-CZ2 4.46Å; R765-S1008 PolarHBondContact NH2-O 2.89Å; R765-Y1024 WeakPolarHBondContact CB-OH 3.44Å; R765-Y1024 WeakPolarHBondContact CD-OH 3.28Å; R765-Y1024 VanDerWaalsContact CG-OH 3.29Å; R765-Y1024 WeakPolarHBondContact CG-OH 3.45Å
766	M	42.1	Very low	35.7	Very low	23 Å²	23	65.4 Å²	65.4	11%	0.113	32%	0.316	C	S	.	.	H	α-helix	trans	-63.9	-47.6	179.1	-74.1	-179.9	61.5	0	0	109.5	I762 L764 F768 R769 C770 W849 T874 E890 T916	I762-M766 HydrophobicContact CG2-CG 4.21Å; I762-M766 HydrophobicContact CG2-SD 3.41Å; I762-M766 WeakPolarHBondContact CG2-SD 3.48Å; I762-M766 WeakPolarHBondContact O-CB 2.85Å; I762-M766 WeakPolarHBondContact O-CG 3.42Å; I762-M766 PolarHBondContact O-N 3.5Å; L764-M766 VanDerWaalsContact C-N 3.28Å; L764-M766 PolarHBondContact O-N 2.93Å; M766-F768 VanDerWaalsContact C-N 3.34Å; M766-F768 PolarHBondContact O-N 2.91Å; M766-R769 PolarHBondContact O-N 3.14Å; M766-C770 VanDerWaalsContact O-CB 3.29Å; M766-C770 WeakPolarHBondContact O-CB 3.43Å; M766-C770 PolarHBondContact O-SG 2.77Å; M766-W849 HydrophobicContact CB-CH2 4.06Å; M766-W849 HydrophobicContact CB-CZ2 3.48Å; M766-W849 VanDerWaalsContact CB-CZ2 3.48Å; M766-W849 HydrophobicContact CE-CZ2 4.37Å; M766-W849 WeakPolarHBondContact O-CZ2 3.27Å; M766-T874 HydrophobicContact CE-CG2 3.8Å; M766-E890 WeakPolarHBondContact CE-OE2 3.33Å; M766-T916 HydrophobicContact SD-CG2 4.35Å
767	Y	33.8	Very low	36.2	Very low	139 Å²	139	61.1 Å²	61.1	55%	0.545	29%	0.293	S	S	.	.	H	α-helix	trans	-68.4	-28.1	179.1	-171.1	-94.2	0	0	0	113.3	F763 L764 C770 W849	F763-Y767 HydrophobicContact CE1-CD2 4.42Å; F763-Y767 WeakPolarHBondContact O-CA 3.3Å; F763-Y767 WeakPolarHBondContact O-CB 3.31Å; F763-Y767 PolarHBondContact O-N 3.41Å; L764-Y767 PolarHBondContact O-N 2.76Å; Y767-C770 WeakPolarHBondContact O-CB 3.44Å; Y767-W849 HydrophobicContact CD2-CH2 4.36Å; Y767-W849 HydrophobicContact CD2-CZ3 4.3Å
768	F	37.5	Very low	36.4	Very low	74 Å²	74	56.2 Å²	56.2	33%	0.325	27%	0.267	S	S	.	.	H	α-helix	trans	-94.1	-16.2	177.8	-62.2	-44	0	0	0	114.9	L764 R765 M766 C770 W1048 K1066	L764-F768 HydrophobicContact CB-CD2 4.12Å; L764-F768 HydrophobicContact CB-CE2 3.98Å; L764-F768 HydrophobicContact CD2-CE2 3.92Å; L764-F768 HydrophobicContact CG-CD2 4.28Å; L764-F768 HydrophobicContact CG-CE2 3.64Å; L764-F768 HydrophobicContact CG-CZ 4.35Å; L764-F768 VanDerWaalsContact O-CB 3.28Å; L764-F768 WeakPolarHBondContact O-CB 3.46Å; L764-F768 WeakPolarHBondContact O-CD2 3.3Å; L764-F768 VanDerWaalsContact O-CG 3.27Å; L764-F768 WeakPolarHBondContact O-CG 3.18Å; L764-F768 PolarHBondContact O-N 3.19Å; R765-F768 PolarHBondContact O-N 2.9Å; M766-F768 VanDerWaalsContact C-N 3.34Å; M766-F768 PolarHBondContact O-N 2.91Å; F768-C770 PolarHBondContact O-N 2.92Å; F768-W1048 HydrophobicContact CD2-CZ3 4.49Å; F768-K1066 HydrophobicContact CB-CD 4Å; F768-K1066 HydrophobicContact CB-CG 4.41Å; F768-K1066 HydrophobicContact CD1-CD 4.23Å; F768-K1066 HydrophobicContact CD2-CD 3.84Å; F768-K1066 HydrophobicContact CE2-CD 4.36Å; F768-K1066 HydrophobicContact CG-CD 3.78Å; F768-K1066 HydrophobicContact CG-CG 4.43Å
769	R	42	Very low	36.1	Very low	19 Å²	19	55.1 Å²	55.1	7%	0.072	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.9	163.2	-162.5	177.2	-163.2	-156	1	112	R765 M766 T832 E833 T874 R919 D1051	R765-R769 WeakPolarHBondContact O-CB 3.23Å; R765-R769 PolarHBondContact O-N 2.81Å; M766-R769 PolarHBondContact O-N 3.14Å; R769-T832 VanDerWaalsContact CD-O 3.24Å; R769-T832 WeakPolarHBondContact CD-O 3.49Å; R769-T832 VanDerWaalsContact CZ-O 3.28Å; R769-T832 PolarHBondContact NE-O 2.9Å; R769-T832 PolarHBondContact NH1-O 3.17Å; R769-E833 IonicContact CZ-OE1 3.95Å; R769-E833 IonicContact CZ-OE2 3.26Å; R769-E833 VanDerWaalsContact CZ-OE2 3.29Å; R769-E833 IonicContact NH1-OE2 3.92Å; R769-E833 PolarHBondContact NH1-OE2 3.32Å; R769-E833 IonicContact NH2-OE1 3.47Å; R769-E833 PolarHBondContact NH2-OE1 3.28Å; R769-E833 IonicContact NH2-OE2 3.46Å; R769-E833 PolarHBondContact NH2-OE2 2.73Å; R769-T874 PolarHBondContact NH1-O 2.67Å; R769-R919 VanDerWaalsContact NH2-NH2 3.13Å; R769-D1051 IonicContact CZ-OD2 3.74Å; R769-D1051 IonicContact NE-OD2 3.99Å; R769-D1051 IonicContact NH2-OD2 3.05Å; R769-D1051 PolarHBondContact NH2-OD2 3.22Å
770	C	35.1	Very low	36	Very low	6 Å²	6	55 Å²	55	4%	0.041	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	14	-153.2	-95.7	0	0	0	0	115.9	M766 Y767 F768 T830	M766-C770 VanDerWaalsContact O-CB 3.29Å; M766-C770 WeakPolarHBondContact O-CB 3.43Å; M766-C770 PolarHBondContact O-SG 2.77Å; Y767-C770 WeakPolarHBondContact O-CB 3.44Å; F768-C770 PolarHBondContact O-N 2.92Å; C770-T830 HydrophobicContact CB-CG2 3.91Å; C770-T830 WeakPolarHBondContact CB-OG1 3.43Å; C770-T830 WeakPolarHBondContact O-CB 3.29Å; C770-T830 WeakPolarHBondContact O-CG2 3.39Å; C770-T830 VanDerWaalsContact SG-CB 3.5Å; C770-T830 PolarHBondContact SG-OG1 3.34Å
771	K	29.8	Very low	36.2	Very low	168 Å²	168	49 Å²	49	73%	0.73	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.5	101.4	164.9	-80.5	-168.4	173.5	-174.1	0	110.5	L773	K771-L773 WeakPolarHBondContact O-CD1 3.47Å; K771-L773 PolarHBondContact O-N 2.93Å
772	H	28.8	Very low	36.1	Very low	140 Å²	140	49.8 Å²	49.8	65%	0.648	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	-28	164.2	-64.5	-80.6	0	0	0	121.1	V775 L776	H772-V775 PolarHBondContact O-N 3.04Å; H772-L776 PolarHBondContact O-N 3.46Å
773	L	34.7	Very low	35.4	Very low	17 Å²	17	52.9 Å²	52.9	9%	0.089	24%	0.244	C	C	.	.	H	α-helix	trans	-74.4	-37.1	-159.2	-86.6	73.9	0	0	0	115	K771 V775 L776 L777 S1065 S1069 V1070	K771-L773 WeakPolarHBondContact O-CD1 3.47Å; K771-L773 PolarHBondContact O-N 2.93Å; L773-V775 VanDerWaalsContact C-N 3.3Å; L773-V775 PolarHBondContact O-N 3.41Å; L773-L776 PolarHBondContact O-N 3.41Å; L773-L777 PolarHBondContact O-N 2.75Å; L773-L777 VanDerWaalsContact O-N 3.08Å; L773-S1065 VanDerWaalsContact CD2-O 3.24Å; L773-S1065 WeakPolarHBondContact CD2-O 3.24Å; L773-S1069 WeakPolarHBondContact CD2-O 3.44Å; L773-V1070 HydrophobicContact CB-CG2 4.1Å; L773-V1070 HydrophobicContact CD2-CG2 3.96Å; L773-V1070 HydrophobicContact CG-CG2 3.68Å
774	K	36.4	Very low	35	Very low	14 Å²	14	49.9 Å²	49.9	6%	0.061	23%	0.232	C	C	.	.	H	α-helix	trans	-65.3	-36.5	176.4	174.7	156.2	177.5	159.7	0	111.7	L776 L777 E778 E833 C834 D1051	K774-L776 PolarHBondContact O-N 2.64Å; K774-L777 WeakPolarHBondContact O-CB 3.48Å; K774-L777 PolarHBondContact O-N 3.3Å; K774-L777 VanDerWaalsContact O-N 3.09Å; K774-E778 WeakPolarHBondContact CE-OE1 3.17Å; K774-E778 IonicContact NZ-OE1 3.87Å; K774-E778 PolarHBondContact NZ-OE1 3.44Å; K774-E778 PolarHBondContact O-N 2.88Å; K774-E833 HydrophobicContact CD-CG 4.26Å; K774-E833 IonicContact NZ-OE1 2.82Å; K774-E833 PolarHBondContact NZ-OE1 3.31Å; K774-C834 VanDerWaalsContact CE-O 3.3Å; K774-C834 WeakPolarHBondContact CE-O 3.31Å; K774-C834 WeakPolarHBondContact CE-SG 3.24Å; K774-C834 PolarHBondContact NZ-O 2.88Å; K774-D1051 WeakPolarHBondContact CD-OD2 3.36Å
775	V	32.7	Very low	34.4	Very low	26 Å²	26	53.4 Å²	53.4	16%	0.158	25%	0.247	C	C	.	.	H	α-helix	trans	-61	-46.9	177.6	175.2	0	0	0	0	110.4	H772 L773 L777 I779 V831	H772-V775 PolarHBondContact O-N 3.04Å; L773-V775 VanDerWaalsContact C-N 3.3Å; L773-V775 PolarHBondContact O-N 3.41Å; V775-L777 VanDerWaalsContact C-N 3.28Å; V775-L777 PolarHBondContact O-N 2.81Å; V775-I779 HydrophobicContact CG1-CD1 3.51Å; V775-I779 WeakPolarHBondContact O-CB 3.38Å; V775-I779 VanDerWaalsContact O-CD1 3.23Å; V775-I779 WeakPolarHBondContact O-CD1 3.34Å; V775-I779 WeakPolarHBondContact O-CG1 3.49Å; V775-I779 PolarHBondContact O-N 2.81Å; V775-V831 HydrophobicContact CG2-CB 3.93Å; V775-V831 HydrophobicContact CG2-CG1 3.67Å; V775-V831 HydrophobicContact CG2-CG2 4.31Å
776	L	33.2	Very low	33.4	Very low	61 Å²	61	57.3 Å²	57.3	32%	0.319	28%	0.276	S	S	.	.	H	α-helix	trans	-58.3	-39.4	172.7	-77.1	164.8	0	0	0	112.6	H772 L773 K774 I779 T780 P819 V1070	H772-L776 PolarHBondContact O-N 3.46Å; L773-L776 PolarHBondContact O-N 3.41Å; K774-L776 PolarHBondContact O-N 2.64Å; L776-I779 PolarHBondContact O-N 2.94Å; L776-T780 WeakPolarHBondContact O-CG2 3.46Å; L776-T780 PolarHBondContact O-N 3.33Å; L776-T780 PolarHBondContact O-OG1 2.81Å; L776-P819 HydrophobicContact CD2-CB 4.25Å; L776-V1070 HydrophobicContact CB-CG2 4.33Å; L776-V1070 HydrophobicContact CD1-CG2 4.45Å
777	L	41.3	Very low	32.5	Very low	4 Å²	4	62.6 Å²	62.6	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-56.6	-57.7	-175.8	-122	146.6	0	0	0	112.9	L773 K774 V775 T780 W781 S1053 V1062 S1064	L773-L777 PolarHBondContact O-N 2.75Å; L773-L777 VanDerWaalsContact O-N 3.08Å; K774-L777 WeakPolarHBondContact O-CB 3.48Å; K774-L777 PolarHBondContact O-N 3.3Å; K774-L777 VanDerWaalsContact O-N 3.09Å; V775-L777 VanDerWaalsContact C-N 3.28Å; V775-L777 PolarHBondContact O-N 2.81Å; L777-T780 PolarHBondContact O-OG1 3.4Å; L777-W781 VanDerWaalsContact O-CD1 3.32Å; L777-S1053 VanDerWaalsContact CD2-CB 3.43Å; L777-V1062 HydrophobicContact CD1-CG1 4.5Å; L777-V1062 HydrophobicContact CD2-CB 3.59Å; L777-V1062 HydrophobicContact CD2-CG1 3.51Å; L777-V1062 HydrophobicContact CG-CB 4.29Å; L777-V1062 HydrophobicContact CG-CG1 3.63Å; L777-S1064 WeakPolarHBondContact CD1-OG 3.44Å
778	E	34.7	Very low	32	Very low	19 Å²	19	62 Å²	62	9%	0.089	32%	0.32	C	S	.	.	H	α-helix	trans	-75.7	-26.9	179.7	-69.4	178.6	-169	0	0	112.3	K774 W781 L782 C834 A835 L836	K774-E778 WeakPolarHBondContact CE-OE1 3.17Å; K774-E778 IonicContact NZ-OE1 3.87Å; K774-E778 PolarHBondContact NZ-OE1 3.44Å; K774-E778 PolarHBondContact O-N 2.88Å; E778-W781 WeakPolarHBondContact O-CB 3.28Å; E778-W781 PolarHBondContact O-N 2.86Å; E778-L782 WeakPolarHBondContact O-CD1 3.21Å; E778-C834 VanDerWaalsContact CD-SG 3.5Å; E778-C834 VanDerWaalsContact OE2-O 3.08Å; E778-C834 PolarHBondContact OE2-SG 3.01Å; E778-A835 VanDerWaalsContact OE2-CA 3.24Å; E778-A835 WeakPolarHBondContact OE2-CA 3.48Å; E778-A835 PolarHBondContact OE2-N 2.96Å; E778-L836 HydrophobicContact CB-CD1 4.43Å; E778-L836 HydrophobicContact CB-CD2 4.3Å; E778-L836 HydrophobicContact CB-CG 4.3Å
779	I	31.8	Very low	31.3	Very low	17 Å²	17	64.5 Å²	64.5	9%	0.087	34%	0.34	C	S	.	.	H	α-helix	trans	-63.1	-43.5	171.8	-69.7	167.4	0	0	0	111.5	V775 L776 W781 L782 F823 M844	V775-I779 HydrophobicContact CG1-CD1 3.51Å; V775-I779 WeakPolarHBondContact O-CB 3.38Å; V775-I779 VanDerWaalsContact O-CD1 3.23Å; V775-I779 WeakPolarHBondContact O-CD1 3.34Å; V775-I779 WeakPolarHBondContact O-CG1 3.49Å; V775-I779 PolarHBondContact O-N 2.81Å; L776-I779 PolarHBondContact O-N 2.94Å; I779-W781 PolarHBondContact O-N 2.94Å; I779-L782 PolarHBondContact O-N 2.68Å; I779-F823 HydrophobicContact CD1-CD2 3.4Å; I779-F823 HydrophobicContact CD1-CE2 3.51Å; I779-F823 HydrophobicContact CD1-CG 4.43Å; I779-F823 HydrophobicContact CG1-CD2 4.38Å; I779-F823 HydrophobicContact CG1-CE2 4.05Å; I779-F823 HydrophobicContact CG2-CE2 4.44Å; I779-M844 HydrophobicContact CD1-CE 4.21Å; I779-M844 HydrophobicContact CD1-SD 4.42Å; I779-M844 HydrophobicContact CG1-CE 4.2Å; I779-M844 HydrophobicContact CG1-SD 3.95Å
780	T	30.7	Very low	30.3	Very low	49 Å²	49	71.4 Å²	71.4	30%	0.301	37%	0.374	S	S	.	.	H	α-helix	trans	-68	-16	177.4	51.2	0	0	0	0	113.7	L776 L777	L776-T780 WeakPolarHBondContact O-CG2 3.46Å; L776-T780 PolarHBondContact O-N 3.33Å; L776-T780 PolarHBondContact O-OG1 2.81Å; L777-T780 PolarHBondContact O-OG1 3.4Å
781	W	35.6	Very low	29.8	Very low	27 Å²	27	79.8 Å²	79.8	10%	0.102	41%	0.412	C	S	.	.	H	α-helix	trans	-79.4	-22	-178.7	-99.9	104.4	0	0	0	114.4	L777 E778 I779 K783 L784 S1055 L1060 V1062	L777-W781 VanDerWaalsContact O-CD1 3.32Å; E778-W781 WeakPolarHBondContact O-CB 3.28Å; E778-W781 PolarHBondContact O-N 2.86Å; I779-W781 PolarHBondContact O-N 2.94Å; W781-K783 VanDerWaalsContact C-N 3.32Å; W781-K783 PolarHBondContact O-N 3.2Å; W781-L784 HydrophobicContact CE3-CB 4.12Å; W781-L784 HydrophobicContact CE3-CD1 4.3Å; W781-L784 HydrophobicContact CH2-CD1 3.52Å; W781-L784 HydrophobicContact CZ3-CB 3.62Å; W781-L784 HydrophobicContact CZ3-CD1 3.43Å; W781-L784 VanDerWaalsContact CZ3-CD1 3.43Å; W781-L784 HydrophobicContact CZ3-CG 4.17Å; W781-L784 PolarHBondContact O-N 2.82Å; W781-S1055 WeakPolarHBondContact CH2-OG 3.29Å; W781-S1055 WeakPolarHBondContact CZ3-OG 3.48Å; W781-L1060 HydrophobicContact CH2-CB 3.84Å; W781-L1060 HydrophobicContact CH2-CD1 4.23Å; W781-L1060 HydrophobicContact CZ2-CB 3.82Å; W781-V1062 HydrophobicContact CZ2-CG2 4.08Å; W781-V1062 VanDerWaalsContact NE1-CG2 3.35Å
782	L	32.7	Very low	29.6	Very low	39 Å²	39	77.3 Å²	77.3	20%	0.204	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-8.7	-169	-74.5	147.5	0	0	0	116.1	E778 I779 L784 L836 N841 L858	E778-L782 WeakPolarHBondContact O-CD1 3.21Å; I779-L782 PolarHBondContact O-N 2.68Å; L782-L784 VanDerWaalsContact C-N 3.3Å; L782-L836 HydrophobicContact CD1-CD1 4.36Å; L782-L836 HydrophobicContact CD1-CD2 3.82Å; L782-L836 HydrophobicContact CD2-CD1 3.81Å; L782-L836 HydrophobicContact CD2-CD2 4.18Å; L782-L836 HydrophobicContact CG-CD1 3.92Å; L782-L836 HydrophobicContact CG-CD2 4.24Å; L782-N841 HydrophobicContact CD2-CB 3.97Å; L782-N841 WeakPolarHBondContact CD2-O 3.48Å; L782-L858 HydrophobicContact CD1-CD1 3.35Å; L782-L858 HydrophobicContact CD1-CD2 3.55Å; L782-L858 HydrophobicContact CD1-CG 4Å; L782-L858 HydrophobicContact CD2-CD1 3.74Å; L782-L858 HydrophobicContact CG-CD1 4.15Å
783	K	29.5	Very low	29.7	Very low	74 Å²	74	77 Å²	77	32%	0.322	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	3.1	171.9	-101.2	-168.2	174.8	-176.3	0	113.5	W781 D813 V814 L820	W781-K783 VanDerWaalsContact C-N 3.32Å; W781-K783 PolarHBondContact O-N 3.2Å; K783-D813 WeakPolarHBondContact CD-O 3.27Å; K783-D813 VanDerWaalsContact NZ-N 3.12Å; K783-V814 HydrophobicContact CB-CG2 3.77Å; K783-V814 HydrophobicContact CD-CG2 4.43Å; K783-L820 HydrophobicContact CD-CD1 4.05Å; K783-L820 HydrophobicContact CG-CD1 4.35Å
784	L	32.2	Very low	29.2	Very low	48 Å²	48	80 Å²	80	25%	0.251	46%	0.459	S	S	.	.			trans	-127.3	66.4	-169.5	-69	-179.1	0	0	0	114.8	W781 L782 V814 L1060	W781-L784 HydrophobicContact CE3-CB 4.12Å; W781-L784 HydrophobicContact CE3-CD1 4.3Å; W781-L784 HydrophobicContact CH2-CD1 3.52Å; W781-L784 HydrophobicContact CZ3-CB 3.62Å; W781-L784 HydrophobicContact CZ3-CD1 3.43Å; W781-L784 VanDerWaalsContact CZ3-CD1 3.43Å; W781-L784 HydrophobicContact CZ3-CG 4.17Å; W781-L784 PolarHBondContact O-N 2.82Å; L782-L784 VanDerWaalsContact C-N 3.3Å; L784-V814 HydrophobicContact CD1-CG1 4.09Å; L784-V814 HydrophobicContact CD1-CG2 4.47Å; L784-V814 HydrophobicContact CD2-CG2 4.1Å; L784-V814 HydrophobicContact CG-CG2 4.06Å; L784-L1060 HydrophobicContact CD1-CD1 3.68Å
785	E	24.3	Very low	28.8	Very low	133 Å²	133	83.5 Å²	83.5	62%	0.621	50%	0.499	S	S	*	.	S	Bend	trans	-137.8	157.7	153	-89.5	-143.1	-160.7	0	0	110.9	A1056	E785-A1056 HydrophobicContact CG-CB 4.2Å; E785-A1056 VanDerWaalsContact OE1-CB 3.31Å; E785-A1056 WeakPolarHBondContact OE1-CB 3.32Å
786	P	23.6	Very low	28.4	Very low	106 Å²	106	86.3 Å²	86.3	69%	0.688	53%	0.533	S	S	*	.			trans	-93.4	126	-132.2	31.9	-36.3	0	0	0	116.3
787	V	22.4	Very low	28.1	Very low	134 Å²	134	87.3 Å²	87.3	81%	0.812	56%	0.558	S	S	*	*			trans	-83.4	118	158.2	175.2	0	0	0	0	109.2	V789	V787-V789 HydrophobicContact CG1-CG2 4.04Å; V787-V789 PolarHBondContact O-N 3.07Å
788	V	23.4	Very low	27.4	Very low	127 Å²	127	92.9 Å²	92.9	77%	0.77	60%	0.597	S	S	*	*			trans	-87.3	103.5	177.3	179.6	0	0	0	0	110
789	V	22.6	Very low	27.5	Very low	126 Å²	126	97.9 Å²	97.9	76%	0.764	63%	0.632	S	S	*	*			trans	-126.3	126.3	167.5	172	0	0	0	0	109.6	V787	V787-V789 HydrophobicContact CG1-CG2 4.04Å; V787-V789 PolarHBondContact O-N 3.07Å
790	Q	21.9	Very low	27.2	Very low	165 Å²	165	106 Å²	106	77%	0.771	67%	0.669	S	S	*	*			trans	-96	128.3	168.1	-61.6	179.2	-1.5	0	0	109.1
791	Q	23.3	Very low	27.2	Very low	182 Å²	182	112.3 Å²	112.3	85%	0.85	70%	0.695	S	S	*	*				160.8	160.7	127.1	-86.8	-172.2	28.6	0	0	113.2
792	P	25.5	Very low	26.8	Very low	116 Å²	116	118.8 Å²	118.8	75%	0.753	73%	0.732	S	S	*	*			trans	-91.4	173.5	-165	36.8	-36.5	0	0	0	115.2
793	P	31.6	Very low	26.8	Very low	132 Å²	132	126.7 Å²	126.7	86%	0.857	77%	0.768	S	S	*	*			trans	-111.4	170.5	-152.2	41.6	-37.1	0	0	0	117.7
794	G	24.8	Very low	26.5	Very low	82 Å²	82	126.9 Å²	126.9	85%	0.845	79%	0.791	S	S	*	*			trans	127.3	119.6	166.1	0	0	0	0	0	110.9
795	G	26.4	Very low	26.6	Very low	87 Å²	87	129.7 Å²	129.7	90%	0.897	82%	0.821	S	S	*	*			cis	129.5	153.8	21.6	0	0	0	0	0	107.5
796	G	25.3	Very low	26.5	Very low	84 Å²	84	132.3 Å²	132.3	87%	0.866	83%	0.833	S	S	*	*			cis	-175.3	153.9	-6.3	0	0	0	0	0	108.4
797	G	27	Very low	27	Very low	83 Å²	83	139.7 Å²	139.7	86%	0.856	85%	0.848	S	S	*	*			trans	-165.3	161.6	-174	0	0	0	0	0	112.1
798	S	25.2	Very low	27	Very low	120 Å²	120	138.3 Å²	138.3	84%	0.839	84%	0.844	S	S	*	*			trans	-126.4	173.2	-171.6	73.4	0	0	0	0	111.4
799	P	36.8	Very low	27.4	Very low	125 Å²	125	140.9 Å²	140.9	81%	0.812	85%	0.848	S	S	*	*				-91.8	160.8	-128.3	36.5	-40.8	0	0	0	115.4
800	Q	25.5	Very low	27.7	Very low	186 Å²	186	143.7 Å²	143.7	87%	0.869	85%	0.853	S	S	*	*			trans	-143.8	149.9	158.6	-162.9	168.2	-46.4	0	0	109.9
801	E	31.9	Very low	28.2	Very low	182 Å²	182	140.1 Å²	140.1	85%	0.85	85%	0.846	S	S	*	*			trans	-89.7	139.4	-178.4	-58.7	166.1	137.3	0	0	110.6
802	D	26	Very low	28.8	Very low	164 Å²	164	139.6 Å²	139.6	88%	0.877	84%	0.844	S	S	*	*			trans	-159	146.5	158	-104	-41.3	0	0	0	109.5
803	E	33.3	Very low	29.4	Very low	204 Å²	204	136.9 Å²	136.9	95%	0.953	82%	0.823	S	S	*	*			trans	-92.2	126.8	177.9	-69.2	-169.3	135	0	0	111.6
804	G	24.4	Very low	30.2	Very low	79 Å²	79	132.3 Å²	132.3	81%	0.814	79%	0.792	S	S	*	*			trans	-172.4	126.4	172.8	0	0	0	0	0	111.2
805	A	33.2	Very low	31.5	Very low	107 Å²	107	135.8 Å²	135.8	88%	0.884	79%	0.792	S	S	*	*			trans	-94.4	116.9	-173.2	0	0	0	0	0	112.3
806	E	23.1	Very low	33	Very low	187 Å²	187	134 Å²	134	87%	0.874	77%	0.765	S	S	*	*			trans	-146.8	140.6	160.7	-142.2	162.7	-149.5	0	0	110.4	S808	E806-S808 PolarHBondContact O-N 3.14Å
807	W	33.2	Very low	34.7	Very low	261 Å²	261	133 Å²	133	99%	0.989	76%	0.755	S	S	*	*			trans	-83	116.4	-168.8	-74.3	63.8	0	0	0	111.4
808	S	22.8	Very low	36.6	Very low	106 Å²	106	137.4 Å²	137.4	74%	0.741	75%	0.746	S	S	*	*			trans	-146.7	124	172.4	45.7	0	0	0	0	113.8	E806 E810	E806-S808 PolarHBondContact O-N 3.14Å; S808-E810 PolarHBondContact O-N 2.91Å
809	E	31.4	Very low	38.5	Very low	180 Å²	180	136.4 Å²	136.4	84%	0.841	74%	0.736	S	S	*	*			trans	42.8	60.7	152.9	-54.8	-166.7	112.2	0	0	120.7	S811	E809-S811 PolarHBondContact O-N 3.43Å
810	E	28.9	Very low	40.2	Very low	186 Å²	186	135.1 Å²	135.1	87%	0.869	72%	0.722	S	S	*	*			trans	-79.9	62.3	164.9	-161.5	179.8	-153.6	0	0	112.6	S808	S808-E810 PolarHBondContact O-N 2.91Å
811	S	33.1	Very low	42.5	Very low	90 Å²	90	131.4 Å²	131.4	63%	0.629	70%	0.7	S	S	*	*			trans	-99.3	9.1	-174.1	62.8	0	0	0	0	115.4	E809	E809-S811 PolarHBondContact O-N 3.43Å
812	Q	34.6	Very low	44.7	Very low	171 Å²	171	129.4 Å²	129.4	80%	0.799	69%	0.694	S	S	*	*			trans	-120.7	123.5	173.7	-69.1	-172.9	-11.7	0	0	111.2
813	D	38.8	Very low	47.4	Very low	58 Å²	58	122.9 Å²	122.9	31%	0.31	66%	0.658	S	S	.	*			trans	-172	106.4	137.1	-137.1	7.2	0	0	0	109	K783 S816	K783-D813 WeakPolarHBondContact CD-O 3.27Å; K783-D813 VanDerWaalsContact NZ-N 3.12Å; D813-S816 WeakPolarHBondContact OD1-CB 3.33Å; D813-S816 PolarHBondContact OD1-OG 3.28Å; D813-S816 VanDerWaalsContact OD1-OG 3.06Å; D813-S816 VanDerWaalsContact OD2-CB 3.31Å; D813-S816 WeakPolarHBondContact OD2-CB 3.08Å; D813-S816 PolarHBondContact OD2-OG 3.17Å
814	V	48.3	Very low	49.3	Very low	36 Å²	36	116.3 Å²	116.3	22%	0.218	64%	0.639	C	S	.	*	S	Bend	trans	-132	-44.4	171.9	179.3	0	0	0	0	109.2	K783 L784 S816 G817	K783-V814 HydrophobicContact CB-CG2 3.77Å; K783-V814 HydrophobicContact CD-CG2 4.43Å; L784-V814 HydrophobicContact CD1-CG1 4.09Å; L784-V814 HydrophobicContact CD1-CG2 4.47Å; L784-V814 HydrophobicContact CD2-CG2 4.1Å; L784-V814 HydrophobicContact CG-CG2 4.06Å; V814-S816 PolarHBondContact O-N 3.44Å; V814-S816 VanDerWaalsContact O-N 3.15Å; V814-G817 PolarHBondContact O-N 3.21Å
815	D	52.8	Low	51.5	Low	156 Å²	156	116.4 Å²	116.4	83%	0.834	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-23.8	177	-58.5	-41	0	0	0	113.7	G817	D815-G817 VanDerWaalsContact C-N 3.3Å; D815-G817 PolarHBondContact O-N 3Å
816	S	57.9	Low	53.8	Low	49 Å²	49	112.9 Å²	112.9	34%	0.343	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.4	-15.7	176.2	79.1	0	0	0	0	114.3	D813 V814 R818	D813-S816 WeakPolarHBondContact OD1-CB 3.33Å; D813-S816 PolarHBondContact OD1-OG 3.28Å; D813-S816 VanDerWaalsContact OD1-OG 3.06Å; D813-S816 VanDerWaalsContact OD2-CB 3.31Å; D813-S816 WeakPolarHBondContact OD2-CB 3.08Å; D813-S816 PolarHBondContact OD2-OG 3.17Å; V814-S816 PolarHBondContact O-N 3.44Å; V814-S816 VanDerWaalsContact O-N 3.15Å; S816-R818 PolarHBondContact O-N 2.95Å; S816-R818 VanDerWaalsContact O-N 3.16Å; S816-R818 WeakPolarHBondContact OG-CD 3.49Å; S816-R818 VanDerWaalsContact OG-CG 3.31Å; S816-R818 WeakPolarHBondContact OG-CG 3.28Å; S816-R818 PolarHBondContact OG-N 3.23Å
817	G	60.1	Low	56.7	Low	63 Å²	63	105.6 Å²	105.6	65%	0.649	57%	0.573	S	S	*	*			trans	61.5	16.8	-177.3	0	0	0	0	0	115.2	V814 D815	V814-G817 PolarHBondContact O-N 3.21Å; D815-G817 VanDerWaalsContact C-N 3.3Å; D815-G817 PolarHBondContact O-N 3Å
818	R	66.7	Low	59	Low	175 Å²	175	98 Å²	98	66%	0.66	56%	0.56	S	S	*	*			trans	-75.6	137.2	-174.8	-71.2	173.2	176.9	-178.9	-2.2	112.2	S816 L820	S816-R818 PolarHBondContact O-N 2.95Å; S816-R818 VanDerWaalsContact O-N 3.16Å; S816-R818 WeakPolarHBondContact OG-CD 3.49Å; S816-R818 VanDerWaalsContact OG-CG 3.31Å; S816-R818 WeakPolarHBondContact OG-CG 3.28Å; S816-R818 PolarHBondContact OG-N 3.23Å; R818-L820 PolarHBondContact O-N 2.97Å; R818-L820 VanDerWaalsContact O-N 3.13Å
819	P	66.3	Low	61.9	Low	99 Å²	99	99.7 Å²	99.7	64%	0.643	55%	0.55	S	S	*	.			trans	-72.5	106.3	175	29.5	-33.3	0	0	0	110.5	L776 R821	L776-P819 HydrophobicContact CD2-CB 4.25Å; P819-R821 PolarHBondContact O-N 2.82Å
820	L	71.5	Confident	64.2	Low	98 Å²	98	93.6 Å²	93.6	51%	0.513	53%	0.525	S	S	.	.			trans	-62.2	-38.7	-177.5	-60.9	174.7	0	0	0	113.3	K783 R818	K783-L820 HydrophobicContact CD-CD1 4.05Å; K783-L820 HydrophobicContact CG-CD1 4.35Å; R818-L820 PolarHBondContact O-N 2.97Å; R818-L820 VanDerWaalsContact O-N 3.13Å
821	R	74.9	Confident	66.9	Low	109 Å²	109	86.3 Å²	86.3	41%	0.411	49%	0.493	S	S	.	.			trans	-153.5	144.4	-176.8	-169.9	178.7	-73.9	-73.7	2.6	111	P819 F823 E859 T860	P819-R821 PolarHBondContact O-N 2.82Å; R821-F823 HydrophobicContact CB-CE2 3.91Å; R821-F823 HydrophobicContact CB-CZ 4.42Å; R821-F823 HydrophobicContact CG-CD2 4.39Å; R821-F823 HydrophobicContact CG-CE2 3.97Å; R821-F823 HydrophobicContact CG-CZ 4.22Å; R821-E859 PolarHBondContact NE-O 3.3Å; R821-E859 PolarHBondContact NH2-O 3.49Å; R821-T860 PolarHBondContact NH1-O 3Å
822	L	78.6	Confident	69.2	Low	139 Å²	139	82 Å²	82	73%	0.728	46%	0.463	S	S	*	.			trans	-104.6	118.5	171.9	-179.8	65.5	0	0	0	109.9	A824	L822-A824 HydrophobicContact CG-CB 4.23Å
823	F	80.8	Confident	71.6	Confident	28 Å²	28	73.9 Å²	73.9	12%	0.123	43%	0.425	C	S	.	.			trans	-94.8	114.8	174.4	-60.6	-104.6	0	0	0	108.2	I779 R821 M844 W856 L858	I779-F823 HydrophobicContact CD1-CD2 3.4Å; I779-F823 HydrophobicContact CD1-CE2 3.51Å; I779-F823 HydrophobicContact CD1-CG 4.43Å; I779-F823 HydrophobicContact CG1-CD2 4.38Å; I779-F823 HydrophobicContact CG1-CE2 4.05Å; I779-F823 HydrophobicContact CG2-CE2 4.44Å; R821-F823 HydrophobicContact CB-CE2 3.91Å; R821-F823 HydrophobicContact CB-CZ 4.42Å; R821-F823 HydrophobicContact CG-CD2 4.39Å; R821-F823 HydrophobicContact CG-CE2 3.97Å; R821-F823 HydrophobicContact CG-CZ 4.22Å; F823-M844 HydrophobicContact CD1-CE 3.99Å; F823-M844 HydrophobicContact CD2-CE 4.28Å; F823-M844 HydrophobicContact CE1-CE 4.05Å; F823-M844 HydrophobicContact CE2-CE 4.35Å; F823-M844 HydrophobicContact CG-CE 4.11Å; F823-M844 HydrophobicContact CZ-CE 4.24Å; F823-W856 HydrophobicContact CB-CE3 4.46Å; F823-W856 HydrophobicContact CB-CH2 4.37Å; F823-W856 HydrophobicContact CB-CZ2 4.47Å; F823-W856 HydrophobicContact CB-CZ3 4.38Å; F823-W856 HydrophobicContact CD1-CB 4.08Å; F823-W856 AromaticContact CD1-CD2 3.81Å; F823-W856 HydrophobicContact CD1-CD2 3.81Å; F823-W856 AromaticContact CD1-CE3 3.66Å; F823-W856 HydrophobicContact CD1-CE3 3.66Å; F823-W856 HydrophobicContact CD1-CG 4.02Å; F823-W856 HydrophobicContact CD1-CZ3 4.27Å; F823-W856 HydrophobicContact CE1-CB 4.07Å; F823-W856 HydrophobicContact CE1-CE3 4.5Å; F823-W856 HydrophobicContact CE1-CG 4.5Å; F823-L858 HydrophobicContact CE1-CD2 4.43Å; F823-L858 HydrophobicContact CZ-CD2 3.88Å
824	A	75	Confident	73.9	Confident	66 Å²	66	71.1 Å²	71.1	55%	0.545	41%	0.41	S	S	.	.			trans	-151.8	169.5	-170.1	0	0	0	0	0	112.3	L822 V826	L822-A824 HydrophobicContact CG-CB 4.23Å; A824-V826 PolarHBondContact O-N 2.84Å
825	G	70.3	Confident	75.6	Confident	81 Å²	81	69.6 Å²	69.6	84%	0.835	40%	0.402	S	S	*	.	S	Bend	trans	92.1	-23.5	170.5	0	0	0	0	0	116.3
826	V	81.3	Confident	77.1	Confident	32 Å²	32	64.4 Å²	64.4	19%	0.194	37%	0.374	C	S	.	.	S	Bend	trans	-90.2	-45.1	-178.8	-175	0	0	0	0	112.1	A824 S828 V854 W856 V863 E866	A824-V826 PolarHBondContact O-N 2.84Å; V826-S828 PolarHBondContact O-N 3.32Å; V826-V854 HydrophobicContact CG1-CG1 4.08Å; V826-V854 HydrophobicContact CG1-CG2 3.64Å; V826-W856 HydrophobicContact CB-CH2 3.95Å; V826-W856 HydrophobicContact CB-CZ2 4.04Å; V826-W856 HydrophobicContact CG2-CH2 3.41Å; V826-W856 VanDerWaalsContact CG2-CH2 3.41Å; V826-W856 HydrophobicContact CG2-CZ2 3.95Å; V826-W856 HydrophobicContact CG2-CZ3 4.12Å; V826-V863 HydrophobicContact CG2-CG2 3.5Å; V826-V863 VanDerWaalsContact CG2-CG2 3.5Å; V826-E866 WeakPolarHBondContact CG1-OE2 3.39Å
827	H	83.8	Confident	78.3	Confident	34 Å²	34	62.5 Å²	62.5	16%	0.157	36%	0.36	C	S	.	.			trans	-80	116	177.6	-73.3	-57	0	0	0	110.7	R829 V831 T846 S848 D850 V854	H827-R829 VanDerWaalsContact C-N 3.29Å; H827-V831 HydrophobicContact CB-CG2 4.26Å; H827-T846 PolarHBondContact CD2-OG1 3.11Å; H827-T846 PolarHBondContact NE2-OG1 3.36Å; H827-S848 VanDerWaalsContact CE1-CB 3.43Å; H827-S848 WeakPolarHBondContact CE1-CB 3.17Å; H827-S848 WeakPolarHBondContact ND1-CB 3.5Å; H827-D850 WeakPolarHBondContact CA-OD2 3.48Å; H827-D850 VanDerWaalsContact CB-OD2 3.31Å; H827-D850 WeakPolarHBondContact CB-OD2 3.31Å; H827-D850 IonicContact CG-OD2 2.84Å; H827-D850 IonicContact ND1-OD1 2.87Å; H827-D850 PolarHBondContact ND1-OD1 2.84Å; H827-D850 IonicContact ND1-OD2 2.79Å; H827-D850 PolarHBondContact ND1-OD2 3.32Å; H827-V854 VanDerWaalsContact CE1-CG2 3.46Å; H827-V854 WeakPolarHBondContact CE1-CG2 3.11Å
828	S	81.2	Confident	79.1	Confident	101 Å²	101	62.7 Å²	62.7	71%	0.706	35%	0.349	S	S	*	.	S	Bend	trans	-84.3	-8.4	175.8	63.4	0	0	0	0	112.9	V826 D850	V826-S828 PolarHBondContact O-N 3.32Å; S828-D850 PolarHBondContact N-OD2 2.83Å; S828-D850 WeakPolarHBondContact OG-CB 3.37Å
829	R	83.9	Confident	79	Confident	143 Å²	143	58.5 Å²	58.5	54%	0.54	34%	0.34	S	S	.	.	S	Bend	trans	-131	-174.6	174.3	-72.9	179	169.4	-177.7	-3.4	110.1	H827 S848 W849 D850	H827-R829 VanDerWaalsContact C-N 3.29Å; R829-S848 PolarHBondContact O-OG 3.04Å; R829-W849 HydrophobicContact CB-CB 4.16Å; R829-W849 VanDerWaalsContact CD-C 3.43Å; R829-W849 WeakPolarHBondContact CD-O 3.24Å; R829-W849 PolarHBondContact NH1-O 3.24Å; R829-D850 HydrophobicContact CB-CB 4.12Å; R829-D850 HydrophobicContact CG-CB 4.4Å
830	T	80.1	Confident	78.6	Confident	52 Å²	52	59 Å²	59	32%	0.319	34%	0.337	S	S	.	.			trans	-80.7	129	-172.6	51	0	0	0	0	112.7	C770 S848	C770-T830 HydrophobicContact CB-CG2 3.91Å; C770-T830 WeakPolarHBondContact CB-OG1 3.43Å; C770-T830 WeakPolarHBondContact O-CB 3.29Å; C770-T830 WeakPolarHBondContact O-CG2 3.39Å; C770-T830 VanDerWaalsContact SG-CB 3.5Å; C770-T830 PolarHBondContact SG-OG1 3.34Å; T830-S848 PolarHBondContact O-OG 2.95Å
831	V	85.3	Confident	78.2	Confident	32 Å²	32	58.6 Å²	58.6	19%	0.194	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	127.6	175.8	-174.1	0	0	0	0	110	V775 H827 V847	V775-V831 HydrophobicContact CG2-CB 3.93Å; V775-V831 HydrophobicContact CG2-CG1 3.67Å; V775-V831 HydrophobicContact CG2-CG2 4.31Å; H827-V831 HydrophobicContact CB-CG2 4.26Å; V831-V847 CarbonylContact C-O 3.56Å; V831-V847 WeakPolarHBondContact CA-O 3.48Å; V831-V847 VanDerWaalsContact CG1-O 3.31Å; V831-V847 WeakPolarHBondContact CG1-O 3.42Å
832	T	82.2	Confident	78.3	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.006	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-44.4	179.8	42.9	0	0	0	0	112.9	R769 V847 L873	R769-T832 VanDerWaalsContact CD-O 3.24Å; R769-T832 WeakPolarHBondContact CD-O 3.49Å; R769-T832 VanDerWaalsContact CZ-O 3.28Å; R769-T832 PolarHBondContact NE-O 2.9Å; R769-T832 PolarHBondContact NH1-O 3.17Å; T832-V847 PolarHBondContact N-O 2.81Å; T832-V847 PolarHBondContact OG1-O 2.79Å; T832-V847 VanDerWaalsContact OG1-O 3.04Å; T832-L873 WeakPolarHBondContact CG2-O 3.32Å; T832-L873 PolarHBondContact OG1-O 2.88Å
833	E	83.6	Confident	78.6	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	149.6	-175.8	-166.8	123.3	-138.8	0	0	109.5	R769 K774 V847 S875 R919	R769-E833 IonicContact CZ-OE1 3.95Å; R769-E833 IonicContact CZ-OE2 3.26Å; R769-E833 VanDerWaalsContact CZ-OE2 3.29Å; R769-E833 IonicContact NH1-OE2 3.92Å; R769-E833 PolarHBondContact NH1-OE2 3.32Å; R769-E833 IonicContact NH2-OE1 3.47Å; R769-E833 PolarHBondContact NH2-OE1 3.28Å; R769-E833 IonicContact NH2-OE2 3.46Å; R769-E833 PolarHBondContact NH2-OE2 2.73Å; K774-E833 HydrophobicContact CD-CG 4.26Å; K774-E833 IonicContact NZ-OE1 2.82Å; K774-E833 PolarHBondContact NZ-OE1 3.31Å; E833-V847 PolarHBondContact O-N 3.14Å; E833-S875 WeakPolarHBondContact OE2-CA 3.46Å; E833-S875 WeakPolarHBondContact OE2-CB 3.37Å; E833-R919 IonicContact OE1-CZ 2.63Å; E833-R919 IonicContact OE1-NE 3.13Å; E833-R919 PolarHBondContact OE1-NE 3.22Å; E833-R919 IonicContact OE1-NH2 3.85Å; E833-R919 PolarHBondContact OE1-NH2 3.2Å; E833-R919 IonicContact OE2-NE 2.88Å
834	C	86.6	Confident	79	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	160.9	163.5	58.4	0	0	0	0	108.5	K774 E778 M844 V845 T846	K774-C834 VanDerWaalsContact CE-O 3.3Å; K774-C834 WeakPolarHBondContact CE-O 3.31Å; K774-C834 WeakPolarHBondContact CE-SG 3.24Å; K774-C834 PolarHBondContact NZ-O 2.88Å; E778-C834 VanDerWaalsContact CD-SG 3.5Å; E778-C834 VanDerWaalsContact OE2-O 3.08Å; E778-C834 PolarHBondContact OE2-SG 3.01Å; C834-M844 HydrophobicContact CB-CG 4.38Å; C834-M844 HydrophobicContact CB-SD 4.26Å; C834-V845 CarbonylContact C-O 3.56Å; C834-V845 WeakPolarHBondContact CA-O 3.41Å; C834-V845 WeakPolarHBondContact CB-O 3.45Å; C834-T846 HydrophobicContact CB-CG2 4.05Å
835	A	85.6	Confident	79.7	Confident	4 Å²	4	48.1 Å²	48.1	3%	0.033	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	142.9	171	0	0	0	0	0	109.4	E778 V845	E778-A835 VanDerWaalsContact OE2-CA 3.24Å; E778-A835 WeakPolarHBondContact OE2-CA 3.48Å; E778-A835 PolarHBondContact OE2-N 2.96Å; A835-V845 PolarHBondContact N-O 2.93Å; A835-V845 PolarHBondContact O-N 2.95Å
836	L	83.9	Confident	80.6	Confident	47 Å²	47	44.4 Å²	44.4	25%	0.246	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	151.7	174.9	-55.5	178.8	0	0	0	111	E778 L782 M844 L858 C878	E778-L836 HydrophobicContact CB-CD1 4.43Å; E778-L836 HydrophobicContact CB-CD2 4.3Å; E778-L836 HydrophobicContact CB-CG 4.3Å; L782-L836 HydrophobicContact CD1-CD1 4.36Å; L782-L836 HydrophobicContact CD1-CD2 3.82Å; L782-L836 HydrophobicContact CD2-CD1 3.81Å; L782-L836 HydrophobicContact CD2-CD2 4.18Å; L782-L836 HydrophobicContact CG-CD1 3.92Å; L782-L836 HydrophobicContact CG-CD2 4.24Å; L836-M844 HydrophobicContact CD2-CB 3.93Å; L836-M844 HydrophobicContact CD2-CG 4.11Å; L836-L858 HydrophobicContact CD2-CD1 4.26Å; L836-C878 WeakPolarHBondContact O-CB 3.44Å
837	I	83.9	Confident	80.9	Confident	9 Å²	9	42.9 Å²	42.9	5%	0.046	23%	0.227	C	C	.	.			trans	-102.9	109.4	174.2	-54.5	178.7	0	0	0	108.3	N839 N840 R843 V845 G882 A900	I837-N839 VanDerWaalsContact C-N 3.28Å; I837-N839 PolarHBondContact O-N 3.41Å; I837-N840 VanDerWaalsContact O-O 3.1Å; I837-R843 HydrophobicContact CB-CB 4.1Å; I837-R843 HydrophobicContact CD1-CB 3.91Å; I837-R843 HydrophobicContact CG1-CB 4.26Å; I837-R843 PolarHBondContact N-O 3.2Å; I837-V845 HydrophobicContact CD1-CG2 3.86Å; I837-V845 HydrophobicContact CG1-CG2 4.1Å; I837-G882 WeakPolarHBondContact CG2-O 3.36Å; I837-A900 HydrophobicContact CD1-CB 4.21Å
838	P	74.9	Confident	81.2	Confident	66 Å²	66	41.2 Å²	41.2	43%	0.429	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-21.8	-167.5	25.1	-35.5	0	0	0	115.1	N840 S879 S880	P838-N840 PolarHBondContact O-N 3.19Å; P838-N840 VanDerWaalsContact O-N 3.11Å; P838-S879 WeakPolarHBondContact CG-O 3.42Å; P838-S880 WeakPolarHBondContact CG-O 3.48Å
839	N	65.2	Low	81.5	Confident	88 Å²	88	37.5 Å²	37.5	47%	0.471	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.4	-176.9	-74.4	-10.9	0	0	0	114.9	I837 D881 G882	I837-N839 VanDerWaalsContact C-N 3.28Å; I837-N839 PolarHBondContact O-N 3.41Å; N839-D881 VanDerWaalsContact CG-O 3.3Å; N839-D881 PolarHBondContact ND2-O 3.03Å; N839-D881 PolarHBondContact OD1-O 2.68Å; N839-D881 VanDerWaalsContact OD1-O 3.07Å; N839-G882 WeakPolarHBondContact ND2-CA 3.29Å
840	N	58.8	Low	81.6	Confident	109 Å²	109	31.1 Å²	31.1	58%	0.583	17%	0.167	S	C	*	.			trans	-159.7	126	168.4	-82.6	-66.6	0	0	0	107.3	I837 P838 S842 R843	I837-N840 VanDerWaalsContact O-O 3.1Å; P838-N840 PolarHBondContact O-N 3.19Å; P838-N840 VanDerWaalsContact O-N 3.11Å; N840-S842 PolarHBondContact O-N 3.27Å; N840-R843 PolarHBondContact O-N 3.06Å
841	N	62.8	Low	82	Confident	89 Å²	89	34.3 Å²	34.3	48%	0.476	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	8.9	177.6	-73.8	-10	0	0	0	114.4	L782 L858	L782-N841 HydrophobicContact CD2-CB 3.97Å; L782-N841 WeakPolarHBondContact CD2-O 3.48Å; N841-L858 VanDerWaalsContact O-CD1 3.22Å; N841-L858 WeakPolarHBondContact O-CD1 3.37Å
842	S	76	Confident	82.3	Confident	25 Å²	25	34.4 Å²	34.4	18%	0.175	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-1.2	170.6	62.3	0	0	0	0	114.2	N840 D857 L858 E859	N840-S842 PolarHBondContact O-N 3.27Å; S842-D857 CarbonylContact O-C 3.56Å; S842-D857 VanDerWaalsContact O-CA 3.3Å; S842-D857 WeakPolarHBondContact O-CA 3.24Å; S842-L858 PolarHBondContact O-N 3.23Å; S842-E859 VanDerWaalsContact CB-OE1 3.27Å; S842-E859 WeakPolarHBondContact CB-OE1 3.41Å
843	R	85.4	Confident	82.7	Confident	96 Å²	96	34.4 Å²	34.4	36%	0.362	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	131.6	-179.1	-55.1	-170.1	-179.5	-163.2	-1	116.3	I837 N840 W856 L864	I837-R843 HydrophobicContact CB-CB 4.1Å; I837-R843 HydrophobicContact CD1-CB 3.91Å; I837-R843 HydrophobicContact CG1-CB 4.26Å; I837-R843 PolarHBondContact N-O 3.2Å; N840-R843 PolarHBondContact O-N 3.06Å; R843-W856 WeakPolarHBondContact CA-O 3.45Å; R843-L864 HydrophobicContact CB-CD1 4.44Å; R843-L864 HydrophobicContact CG-CD1 3.78Å
844	M	88.4	Confident	83	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	147.6	174	170.2	-178.6	64.7	0	0	110.4	I779 F823 C834 L836 T846 A855 W856 L858	I779-M844 HydrophobicContact CD1-CE 4.21Å; I779-M844 HydrophobicContact CD1-SD 4.42Å; I779-M844 HydrophobicContact CG1-CE 4.2Å; I779-M844 HydrophobicContact CG1-SD 3.95Å; F823-M844 HydrophobicContact CD1-CE 3.99Å; F823-M844 HydrophobicContact CD2-CE 4.28Å; F823-M844 HydrophobicContact CE1-CE 4.05Å; F823-M844 HydrophobicContact CE2-CE 4.35Å; F823-M844 HydrophobicContact CG-CE 4.11Å; F823-M844 HydrophobicContact CZ-CE 4.24Å; C834-M844 HydrophobicContact CB-CG 4.38Å; C834-M844 HydrophobicContact CB-SD 4.26Å; L836-M844 HydrophobicContact CD2-CB 3.93Å; L836-M844 HydrophobicContact CD2-CG 4.11Å; M844-T846 HydrophobicContact CE-CG2 3.93Å; M844-T846 HydrophobicContact CG-CG2 4.28Å; M844-T846 HydrophobicContact SD-CG2 4.09Å; M844-A855 CarbonylContact O-C 3.52Å; M844-A855 WeakPolarHBondContact O-CA 3.25Å; M844-W856 HydrophobicContact CE-CB 4.26Å; M844-W856 HydrophobicContact CE-CG 4.25Å; M844-W856 PolarHBondContact N-O 3.18Å; M844-W856 PolarHBondContact O-N 2.95Å; M844-L858 HydrophobicContact CB-CD1 3.92Å; M844-L858 HydrophobicContact CB-CD2 3.66Å; M844-L858 HydrophobicContact CB-CG 3.8Å; M844-L858 HydrophobicContact CE-CD2 3.94Å; M844-L858 HydrophobicContact CG-CD2 4.48Å; M844-L858 HydrophobicContact SD-CD2 4.12Å
845	V	89.5	Confident	83.2	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.4	170.3	-177	0	0	0	0	109.4	C834 A835 I837 V847 M853 V854 A855 W865 L885	C834-V845 CarbonylContact C-O 3.56Å; C834-V845 WeakPolarHBondContact CA-O 3.41Å; C834-V845 WeakPolarHBondContact CB-O 3.45Å; A835-V845 PolarHBondContact N-O 2.93Å; A835-V845 PolarHBondContact O-N 2.95Å; I837-V845 HydrophobicContact CD1-CG2 3.86Å; I837-V845 HydrophobicContact CG1-CG2 4.1Å; V845-V847 HydrophobicContact CG1-CG2 4.32Å; V845-M853 HydrophobicContact CG1-CG 3.49Å; V845-M853 VanDerWaalsContact CG1-CG 3.49Å; V845-M853 HydrophobicContact CG1-SD 3.97Å; V845-V854 CarbonylContact C-O 3.53Å; V845-V854 WeakPolarHBondContact CA-O 3.29Å; V845-A855 HydrophobicContact CG2-CB 4.31Å; V845-W865 HydrophobicContact CG1-CH2 4.41Å; V845-L885 HydrophobicContact CB-CD2 4.42Å; V845-L885 HydrophobicContact CG1-CD1 4.27Å; V845-L885 HydrophobicContact CG2-CD1 3.79Å; V845-L885 HydrophobicContact CG2-CD2 3.81Å; V845-L885 HydrophobicContact CG2-CG 4.48Å
846	T	89.7	Confident	83.4	Confident	3 Å²	3	34.8 Å²	34.8	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	148.4	173.1	61.2	0	0	0	0	111.1	H827 C834 M844 M853 V854 W856	H827-T846 PolarHBondContact CD2-OG1 3.11Å; H827-T846 PolarHBondContact NE2-OG1 3.36Å; C834-T846 HydrophobicContact CB-CG2 4.05Å; M844-T846 HydrophobicContact CE-CG2 3.93Å; M844-T846 HydrophobicContact CG-CG2 4.28Å; M844-T846 HydrophobicContact SD-CG2 4.09Å; T846-M853 WeakPolarHBondContact O-CA 3.24Å; T846-V854 PolarHBondContact N-O 3.38Å; T846-V854 PolarHBondContact O-N 2.79Å; T846-W856 PolarHBondContact OG1-NE1 3.28Å
847	V	89	Confident	83.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	136.5	-169.1	169.4	0	0	0	0	109.8	V831 T832 E833 V845 M853 L873 C876	V831-V847 CarbonylContact C-O 3.56Å; V831-V847 WeakPolarHBondContact CA-O 3.48Å; V831-V847 VanDerWaalsContact CG1-O 3.31Å; V831-V847 WeakPolarHBondContact CG1-O 3.42Å; T832-V847 PolarHBondContact N-O 2.81Å; T832-V847 PolarHBondContact OG1-O 2.79Å; T832-V847 VanDerWaalsContact OG1-O 3.04Å; E833-V847 PolarHBondContact O-N 3.14Å; V845-V847 HydrophobicContact CG1-CG2 4.32Å; V847-M853 HydrophobicContact CG2-CB 4.24Å; V847-M853 HydrophobicContact CG2-CG 3.92Å; V847-L873 HydrophobicContact CG1-CB 3.19Å; V847-L873 HydrophobicContact CG1-CD1 3.88Å; V847-L873 HydrophobicContact CG1-CG 4.15Å; V847-C876 HydrophobicContact CB-CB 4.26Å; V847-C876 HydrophobicContact CG2-CB 3.72Å
848	S	89	Confident	83.5	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	164.8	-163.4	174	0	0	0	0	114.4	H827 R829 T830 D850 R851 K852	H827-S848 VanDerWaalsContact CE1-CB 3.43Å; H827-S848 WeakPolarHBondContact CE1-CB 3.17Å; H827-S848 WeakPolarHBondContact ND1-CB 3.5Å; R829-S848 PolarHBondContact O-OG 3.04Å; T830-S848 PolarHBondContact O-OG 2.95Å; S848-D850 VanDerWaalsContact C-N 3.28Å; S848-D850 WeakPolarHBondContact CB-OD1 3.12Å; S848-D850 WeakPolarHBondContact CB-OD2 3.22Å; S848-D850 PolarHBondContact O-N 3.42Å; S848-D850 PolarHBondContact OG-N 2.88Å; S848-D850 PolarHBondContact OG-OD1 2.82Å; S848-D850 PolarHBondContact OG-OD2 2.85Å; S848-R851 PolarHBondContact O-N 3.45Å; S848-R851 VanDerWaalsContact O-N 3.15Å; S848-K852 PolarHBondContact N-O 3.46Å
849	W	86.8	Confident	83.9	Confident	22 Å²	22	37.9 Å²	37.9	8%	0.083	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-2.4	177.3	-68.8	7	0	0	0	115.4	M766 Y767 R829 R851 L872	M766-W849 HydrophobicContact CB-CH2 4.06Å; M766-W849 HydrophobicContact CB-CZ2 3.48Å; M766-W849 VanDerWaalsContact CB-CZ2 3.48Å; M766-W849 HydrophobicContact CE-CZ2 4.37Å; M766-W849 WeakPolarHBondContact O-CZ2 3.27Å; Y767-W849 HydrophobicContact CD2-CH2 4.36Å; Y767-W849 HydrophobicContact CD2-CZ3 4.3Å; R829-W849 HydrophobicContact CB-CB 4.16Å; R829-W849 VanDerWaalsContact CD-C 3.43Å; R829-W849 WeakPolarHBondContact CD-O 3.24Å; R829-W849 PolarHBondContact NH1-O 3.24Å; W849-R851 PolarHBondContact O-N 2.91Å; W849-L872 HydrophobicContact CB-CD2 4.13Å; W849-L872 VanDerWaalsContact O-CD2 3.26Å; W849-L872 WeakPolarHBondContact O-CD2 3.04Å
850	D	86.8	Confident	84.8	Confident	10 Å²	10	36.7 Å²	36.7	5%	0.053	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-9.3	161.4	46.8	38.4	0	0	0	111.5	H827 S828 R829 S848 K852	H827-D850 WeakPolarHBondContact CA-OD2 3.48Å; H827-D850 VanDerWaalsContact CB-OD2 3.31Å; H827-D850 WeakPolarHBondContact CB-OD2 3.31Å; H827-D850 IonicContact CG-OD2 2.84Å; H827-D850 IonicContact ND1-OD1 2.87Å; H827-D850 PolarHBondContact ND1-OD1 2.84Å; H827-D850 IonicContact ND1-OD2 2.79Å; H827-D850 PolarHBondContact ND1-OD2 3.32Å; S828-D850 PolarHBondContact N-OD2 2.83Å; S828-D850 WeakPolarHBondContact OG-CB 3.37Å; R829-D850 HydrophobicContact CB-CB 4.12Å; R829-D850 HydrophobicContact CG-CB 4.4Å; S848-D850 VanDerWaalsContact C-N 3.28Å; S848-D850 WeakPolarHBondContact CB-OD1 3.12Å; S848-D850 WeakPolarHBondContact CB-OD2 3.22Å; S848-D850 PolarHBondContact O-N 3.42Å; S848-D850 PolarHBondContact OG-N 2.88Å; S848-D850 PolarHBondContact OG-OD1 2.82Å; S848-D850 PolarHBondContact OG-OD2 2.85Å; D850-K852 VanDerWaalsContact C-N 3.32Å; D850-K852 HydrophobicContact CB-CD 4.23Å; D850-K852 HydrophobicContact CB-CG 4.27Å; D850-K852 WeakPolarHBondContact OD1-CA 3.41Å; D850-K852 WeakPolarHBondContact OD1-CB 3.28Å; D850-K852 WeakPolarHBondContact OD1-CG 3.15Å; D850-K852 PolarHBondContact OD1-N 2.72Å
851	R	89.4	Confident	85.8	Confident	118 Å²	118	32.5 Å²	32.5	45%	0.445	16%	0.159	S	C	.	.	S	Bend	trans	78.1	14.7	-177.3	-42.4	168.4	-72.2	175.4	2.5	113	S848 W849 E868 L869 G871 L872	S848-R851 PolarHBondContact O-N 3.45Å; S848-R851 VanDerWaalsContact O-N 3.15Å; W849-R851 PolarHBondContact O-N 2.91Å; R851-E868 WeakPolarHBondContact O-CA 3.26Å; R851-L869 WeakPolarHBondContact CB-O 3.32Å; R851-L869 PolarHBondContact O-N 3Å; R851-G871 VanDerWaalsContact CB-O 3.31Å; R851-G871 WeakPolarHBondContact CB-O 3.44Å; R851-G871 VanDerWaalsContact CG-O 3.28Å; R851-G871 WeakPolarHBondContact CG-O 3.22Å; R851-L872 HydrophobicContact CG-CD2 4.34Å
852	K	90.4	Very high	86.9	Confident	35 Å²	35	37 Å²	37	15%	0.152	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	135.1	178.4	-54.6	171.4	178.4	-69	0	110.5	S848 D850 V854 E866 T867 E868	S848-K852 PolarHBondContact N-O 3.46Å; D850-K852 VanDerWaalsContact C-N 3.32Å; D850-K852 HydrophobicContact CB-CD 4.23Å; D850-K852 HydrophobicContact CB-CG 4.27Å; D850-K852 WeakPolarHBondContact OD1-CA 3.41Å; D850-K852 WeakPolarHBondContact OD1-CB 3.28Å; D850-K852 WeakPolarHBondContact OD1-CG 3.15Å; D850-K852 PolarHBondContact OD1-N 2.72Å; K852-V854 HydrophobicContact CB-CG2 4.19Å; K852-E866 WeakPolarHBondContact CD-OE1 3.46Å; K852-E866 WeakPolarHBondContact CE-OE1 3.35Å; K852-E866 IonicContact NZ-OE1 3.41Å; K852-E866 PolarHBondContact NZ-OE1 3.02Å; K852-T867 WeakPolarHBondContact CA-O 3.42Å; K852-E868 HydrophobicContact CG-CG 4.29Å; K852-E868 IonicContact NZ-OE1 3.88Å; K852-E868 PolarHBondContact NZ-OE1 3.49Å
853	M	90.6	Very high	87.6	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127.7	158.5	178.1	176.1	55.8	0	0	107.3	V845 T846 V847 W865 T867 L873 L885 C898	V845-M853 HydrophobicContact CG1-CG 3.49Å; V845-M853 VanDerWaalsContact CG1-CG 3.49Å; V845-M853 HydrophobicContact CG1-SD 3.97Å; T846-M853 WeakPolarHBondContact O-CA 3.24Å; V847-M853 HydrophobicContact CG2-CB 4.24Å; V847-M853 HydrophobicContact CG2-CG 3.92Å; M853-W865 HydrophobicContact CB-CZ3 4.47Å; M853-W865 HydrophobicContact CE-CH2 3.71Å; M853-W865 HydrophobicContact CE-CZ3 3.76Å; M853-W865 HydrophobicContact CG-CH2 3.94Å; M853-W865 HydrophobicContact CG-CZ3 3.85Å; M853-W865 HydrophobicContact SD-CH2 3.94Å; M853-W865 HydrophobicContact SD-CZ3 4.28Å; M853-T867 PolarHBondContact N-O 3.2Å; M853-T867 PolarHBondContact O-N 3.41Å; M853-L873 HydrophobicContact CB-CD1 4.38Å; M853-L885 HydrophobicContact SD-CD1 3.99Å; M853-C898 HydrophobicContact CE-CB 3.88Å
854	V	90.6	Very high	87.7	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	126.2	-174.7	-175.9	0	0	0	0	108.7	V826 H827 V845 T846 K852 W856 V863 E866	V826-V854 HydrophobicContact CG1-CG1 4.08Å; V826-V854 HydrophobicContact CG1-CG2 3.64Å; H827-V854 VanDerWaalsContact CE1-CG2 3.46Å; H827-V854 WeakPolarHBondContact CE1-CG2 3.11Å; V845-V854 CarbonylContact C-O 3.53Å; V845-V854 WeakPolarHBondContact CA-O 3.29Å; T846-V854 PolarHBondContact N-O 3.38Å; T846-V854 PolarHBondContact O-N 2.79Å; K852-V854 HydrophobicContact CB-CG2 4.19Å; V854-W856 HydrophobicContact CG1-CD2 4.19Å; V854-W856 HydrophobicContact CG1-CG 4.49Å; V854-W856 HydrophobicContact CG1-CZ2 3.94Å; V854-V863 HydrophobicContact CG1-CG1 3.89Å; V854-V863 HydrophobicContact CG1-CG2 4.07Å; V854-E866 HydrophobicContact CG2-CG 4.21Å
855	A	90.8	Very high	87.8	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.008	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	136.6	168.3	0	0	0	0	0	110.6	M844 V845 V863 L864 W865	M844-A855 CarbonylContact O-C 3.52Å; M844-A855 WeakPolarHBondContact O-CA 3.25Å; V845-A855 HydrophobicContact CG2-CB 4.31Å; A855-V863 WeakPolarHBondContact O-CA 3.3Å; A855-L864 HydrophobicContact CB-CB 4.16Å; A855-L864 PolarHBondContact O-N 2.82Å; A855-W865 HydrophobicContact CB-CD2 3.57Å; A855-W865 HydrophobicContact CB-CE3 4.09Å; A855-W865 HydrophobicContact CB-CG 4.02Å; A855-W865 HydrophobicContact CB-CH2 4.02Å; A855-W865 HydrophobicContact CB-CZ2 3.53Å; A855-W865 HydrophobicContact CB-CZ3 4.27Å; A855-W865 PolarHBondContact N-O 2.86Å
856	W	89.3	Confident	88	Confident	11 Å²	11	42.8 Å²	42.8	4%	0.042	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	143.5	-179.3	-56.5	85.3	0	0	0	110.6	F823 V826 R843 M844 T846 V854 R862 V863	F823-W856 HydrophobicContact CB-CE3 4.46Å; F823-W856 HydrophobicContact CB-CH2 4.37Å; F823-W856 HydrophobicContact CB-CZ2 4.47Å; F823-W856 HydrophobicContact CB-CZ3 4.38Å; F823-W856 HydrophobicContact CD1-CB 4.08Å; F823-W856 AromaticContact CD1-CD2 3.81Å; F823-W856 HydrophobicContact CD1-CD2 3.81Å; F823-W856 AromaticContact CD1-CE3 3.66Å; F823-W856 HydrophobicContact CD1-CE3 3.66Å; F823-W856 HydrophobicContact CD1-CG 4.02Å; F823-W856 HydrophobicContact CD1-CZ3 4.27Å; F823-W856 HydrophobicContact CE1-CB 4.07Å; F823-W856 HydrophobicContact CE1-CE3 4.5Å; F823-W856 HydrophobicContact CE1-CG 4.5Å; V826-W856 HydrophobicContact CB-CH2 3.95Å; V826-W856 HydrophobicContact CB-CZ2 4.04Å; V826-W856 HydrophobicContact CG2-CH2 3.41Å; V826-W856 VanDerWaalsContact CG2-CH2 3.41Å; V826-W856 HydrophobicContact CG2-CZ2 3.95Å; V826-W856 HydrophobicContact CG2-CZ3 4.12Å; R843-W856 WeakPolarHBondContact CA-O 3.45Å; M844-W856 HydrophobicContact CE-CB 4.26Å; M844-W856 HydrophobicContact CE-CG 4.25Å; M844-W856 PolarHBondContact N-O 3.18Å; M844-W856 PolarHBondContact O-N 2.95Å; T846-W856 PolarHBondContact OG1-NE1 3.28Å; V854-W856 HydrophobicContact CG1-CD2 4.19Å; V854-W856 HydrophobicContact CG1-CG 4.49Å; V854-W856 HydrophobicContact CG1-CZ2 3.94Å; W856-R862 CarbonylContact C-O 3.58Å; W856-R862 VanDerWaalsContact CA-O 3.32Å; W856-R862 WeakPolarHBondContact CA-O 3.29Å; W856-V863 HydrophobicContact CE3-CG2 3.96Å; W856-V863 HydrophobicContact CH2-CG2 4.16Å; W856-V863 HydrophobicContact CZ3-CG2 3.79Å
857	D	87.8	Confident	88.1	Confident	29 Å²	29	44 Å²	44	16%	0.155	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	121	157.3	176.2	-9.9	0	0	0	108.5	S842 E859 T860 G861 R862 L864	S842-D857 CarbonylContact O-C 3.56Å; S842-D857 VanDerWaalsContact O-CA 3.3Å; S842-D857 WeakPolarHBondContact O-CA 3.24Å; D857-E859 WeakPolarHBondContact OD1-CB 3.08Å; D857-E859 PolarHBondContact OD1-N 3.15Å; D857-T860 PolarHBondContact OD1-N 3.23Å; D857-T860 VanDerWaalsContact OD1-N 3.09Å; D857-T860 WeakPolarHBondContact OD2-CB 3.42Å; D857-T860 WeakPolarHBondContact OD2-CG2 3.37Å; D857-T860 PolarHBondContact OD2-OG1 3.3Å; D857-G861 CarbonylContact O-C 3.51Å; D857-G861 WeakPolarHBondContact O-CA 3.21Å; D857-G861 PolarHBondContact O-N 3.43Å; D857-R862 PolarHBondContact N-O 3.06Å; D857-L864 HydrophobicContact CB-CD1 4.42Å; D857-L864 HydrophobicContact CB-CD2 4.11Å; D857-L864 HydrophobicContact CB-CG 4.16Å
858	L	83	Confident	88.2	Confident	22 Å²	22	49.2 Å²	49.2	12%	0.115	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-34.3	-178.4	-74.3	161	0	0	0	112.6	L782 F823 L836 N841 S842 M844	L782-L858 HydrophobicContact CD1-CD1 3.35Å; L782-L858 HydrophobicContact CD1-CD2 3.55Å; L782-L858 HydrophobicContact CD1-CG 4Å; L782-L858 HydrophobicContact CD2-CD1 3.74Å; L782-L858 HydrophobicContact CG-CD1 4.15Å; F823-L858 HydrophobicContact CE1-CD2 4.43Å; F823-L858 HydrophobicContact CZ-CD2 3.88Å; L836-L858 HydrophobicContact CD2-CD1 4.26Å; N841-L858 VanDerWaalsContact O-CD1 3.22Å; N841-L858 WeakPolarHBondContact O-CD1 3.37Å; S842-L858 PolarHBondContact O-N 3.23Å; M844-L858 HydrophobicContact CB-CD1 3.92Å; M844-L858 HydrophobicContact CB-CD2 3.66Å; M844-L858 HydrophobicContact CB-CG 3.8Å; M844-L858 HydrophobicContact CE-CD2 3.94Å; M844-L858 HydrophobicContact CG-CD2 4.48Å; M844-L858 HydrophobicContact SD-CD2 4.12Å
859	E	82.8	Confident	88.1	Confident	137 Å²	137	49.7 Å²	49.7	64%	0.64	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-52.8	-179.4	-64.9	175.1	-156.9	0	0	109.9	R821 S842 D857	R821-E859 PolarHBondContact NE-O 3.3Å; R821-E859 PolarHBondContact NH2-O 3.49Å; S842-E859 VanDerWaalsContact CB-OE1 3.27Å; S842-E859 WeakPolarHBondContact CB-OE1 3.41Å; D857-E859 WeakPolarHBondContact OD1-CB 3.08Å; D857-E859 PolarHBondContact OD1-N 3.15Å
860	T	83.5	Confident	88	Confident	63 Å²	63	52.8 Å²	52.8	39%	0.387	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-19.6	-176.4	72	0	0	0	0	114.1	R821 D857 R862	R821-T860 PolarHBondContact NH1-O 3Å; D857-T860 PolarHBondContact OD1-N 3.23Å; D857-T860 VanDerWaalsContact OD1-N 3.09Å; D857-T860 WeakPolarHBondContact OD2-CB 3.42Å; D857-T860 WeakPolarHBondContact OD2-CG2 3.37Å; D857-T860 PolarHBondContact OD2-OG1 3.3Å; T860-R862 VanDerWaalsContact C-N 3.31Å; T860-R862 WeakPolarHBondContact OG1-CB 3.4Å; T860-R862 WeakPolarHBondContact OG1-CD 3.11Å; T860-R862 VanDerWaalsContact OG1-CG 3.29Å; T860-R862 WeakPolarHBondContact OG1-CG 3.31Å; T860-R862 PolarHBondContact OG1-N 2.63Å
861	G	81.2	Confident	87.9	Confident	21 Å²	21	52.8 Å²	52.8	22%	0.216	26%	0.257	C	S	.	.			trans	78.7	8.2	-173.7	0	0	0	0	0	115.1	D857	D857-G861 CarbonylContact O-C 3.51Å; D857-G861 WeakPolarHBondContact O-CA 3.21Å; D857-G861 PolarHBondContact O-N 3.43Å
862	R	85.7	Confident	87.7	Confident	183 Å²	183	49.5 Å²	49.5	69%	0.691	25%	0.248	S	C	*	.			trans	-84.8	151.7	-174.4	-67.5	176.1	178	-128	-0.3	111.9	W856 D857 T860	W856-R862 CarbonylContact C-O 3.58Å; W856-R862 VanDerWaalsContact CA-O 3.32Å; W856-R862 WeakPolarHBondContact CA-O 3.29Å; D857-R862 PolarHBondContact N-O 3.06Å; T860-R862 VanDerWaalsContact C-N 3.31Å; T860-R862 WeakPolarHBondContact OG1-CB 3.4Å; T860-R862 WeakPolarHBondContact OG1-CD 3.11Å; T860-R862 VanDerWaalsContact OG1-CG 3.29Å; T860-R862 WeakPolarHBondContact OG1-CG 3.31Å; T860-R862 PolarHBondContact OG1-N 2.63Å
863	V	89.7	Confident	87.5	Confident	60 Å²	60	47.9 Å²	47.9	36%	0.364	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	130.2	164.6	-179.6	0	0	0	0	108.8	V826 V854 A855 W856 W865	V826-V863 HydrophobicContact CG2-CG2 3.5Å; V826-V863 VanDerWaalsContact CG2-CG2 3.5Å; V854-V863 HydrophobicContact CG1-CG1 3.89Å; V854-V863 HydrophobicContact CG1-CG2 4.07Å; A855-V863 WeakPolarHBondContact O-CA 3.3Å; W856-V863 HydrophobicContact CE3-CG2 3.96Å; W856-V863 HydrophobicContact CH2-CG2 4.16Å; W856-V863 HydrophobicContact CZ3-CG2 3.79Å; V863-W865 WeakPolarHBondContact CG1-O 3.13Å
864	L	88.3	Confident	87.1	Confident	72 Å²	72	48.2 Å²	48.2	38%	0.377	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-44.9	171.7	-67.3	172.4	0	0	0	110.9	R843 A855 D857	R843-L864 HydrophobicContact CB-CD1 4.44Å; R843-L864 HydrophobicContact CG-CD1 3.78Å; A855-L864 HydrophobicContact CB-CB 4.16Å; A855-L864 PolarHBondContact O-N 2.82Å; D857-L864 HydrophobicContact CB-CD1 4.42Å; D857-L864 HydrophobicContact CB-CD2 4.11Å; D857-L864 HydrophobicContact CB-CG 4.16Å
865	W	91.2	Very high	86.9	Confident	28 Å²	28	48.2 Å²	48.2	11%	0.106	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	159.8	173.2	52.6	-104.2	0	0	0	110.4	V845 M853 A855 V863 L885 A900 S901 G903	V845-W865 HydrophobicContact CG1-CH2 4.41Å; M853-W865 HydrophobicContact CB-CZ3 4.47Å; M853-W865 HydrophobicContact CE-CH2 3.71Å; M853-W865 HydrophobicContact CE-CZ3 3.76Å; M853-W865 HydrophobicContact CG-CH2 3.94Å; M853-W865 HydrophobicContact CG-CZ3 3.85Å; M853-W865 HydrophobicContact SD-CH2 3.94Å; M853-W865 HydrophobicContact SD-CZ3 4.28Å; A855-W865 HydrophobicContact CB-CD2 3.57Å; A855-W865 HydrophobicContact CB-CE3 4.09Å; A855-W865 HydrophobicContact CB-CG 4.02Å; A855-W865 HydrophobicContact CB-CH2 4.02Å; A855-W865 HydrophobicContact CB-CZ2 3.53Å; A855-W865 HydrophobicContact CB-CZ3 4.27Å; A855-W865 PolarHBondContact N-O 2.86Å; V863-W865 WeakPolarHBondContact CG1-O 3.13Å; W865-L885 HydrophobicContact CH2-CD1 3.59Å; W865-L885 HydrophobicContact CZ2-CD1 3.66Å; W865-A900 PolarHBondContact NE1-O 3.32Å; W865-A900 VanDerWaalsContact NE1-O 3.14Å; W865-S901 PolarHBondContact NE1-O 2.61Å; W865-G903 VanDerWaalsContact CE2-N 3.29Å; W865-G903 VanDerWaalsContact CH2-CA 3.45Å; W865-G903 VanDerWaalsContact CZ3-CA 3.42Å
866	E	92.4	Very high	86.9	Confident	84 Å²	84	48.2 Å²	48.2	39%	0.393	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.4	174.5	179.2	177	147.2	0	0	108.8	V826 K852 V854	V826-E866 WeakPolarHBondContact CG1-OE2 3.39Å; K852-E866 WeakPolarHBondContact CD-OE1 3.46Å; K852-E866 WeakPolarHBondContact CE-OE1 3.35Å; K852-E866 IonicContact NZ-OE1 3.41Å; K852-E866 PolarHBondContact NZ-OE1 3.02Å; V854-E866 HydrophobicContact CG2-CG 4.21Å
867	T	91.3	Very high	87	Confident	27 Å²	27	48.2 Å²	48.2	17%	0.166	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	122.3	176.7	-62.8	0	0	0	0	109.9	K852 M853 L869 G903	K852-T867 WeakPolarHBondContact CA-O 3.42Å; M853-T867 PolarHBondContact N-O 3.2Å; M853-T867 PolarHBondContact O-N 3.41Å; T867-L869 HydrophobicContact CG2-CD2 3.98Å; T867-L869 HydrophobicContact CG2-CG 4.43Å; T867-G903 WeakPolarHBondContact OG1-CA 3.41Å
868	E	90.8	Very high	87	Confident	111 Å²	111	47.5 Å²	47.5	52%	0.519	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	139.8	169.9	-52.9	-152.9	147	0	0	110.4	R851 K852	R851-E868 WeakPolarHBondContact O-CA 3.26Å; K852-E868 HydrophobicContact CG-CG 4.29Å; K852-E868 IonicContact NZ-OE1 3.88Å; K852-E868 PolarHBondContact NZ-OE1 3.49Å
869	L	88.8	Confident	87.4	Confident	9 Å²	9	46.5 Å²	46.5	5%	0.047	24%	0.237	C	C	.	.			trans	-125.2	158.3	179.5	-63.2	178.8	0	0	0	110.6	R851 T867 G871 L873 C887 Y896 T905	R851-L869 WeakPolarHBondContact CB-O 3.32Å; R851-L869 PolarHBondContact O-N 3Å; T867-L869 HydrophobicContact CG2-CD2 3.98Å; T867-L869 HydrophobicContact CG2-CG 4.43Å; L869-G871 PolarHBondContact O-N 3.32Å; L869-L873 HydrophobicContact CB-CD1 4.36Å; L869-L873 HydrophobicContact CB-CD2 4.01Å; L869-L873 HydrophobicContact CD1-CD1 3.95Å; L869-L873 HydrophobicContact CD1-CD2 3.86Å; L869-L873 HydrophobicContact CG-CD1 4.47Å; L869-C887 HydrophobicContact CD1-CB 4.49Å; L869-Y896 HydrophobicContact CB-CE2 4.4Å; L869-Y896 HydrophobicContact CD1-CD2 4.27Å; L869-Y896 HydrophobicContact CD1-CG 4.19Å; L869-Y896 HydrophobicContact CD2-CD1 4.07Å; L869-Y896 HydrophobicContact CD2-CE1 4.17Å; L869-Y896 HydrophobicContact CD2-CG 4.41Å; L869-T905 HydrophobicContact CD2-CG2 3.35Å
870	D	84	Confident	87.4	Confident	87 Å²	87	43.6 Å²	43.6	47%	0.465	23%	0.231	S	C	.	.	S	Bend	trans	-78.9	90.8	176.6	-64.3	-36.4	0	0	0	111.1	Y896 R908	D870-Y896 WeakPolarHBondContact CB-OH 3.36Å; D870-Y896 PolarHBondContact N-OH 2.97Å; D870-R908 IonicContact OD2-CZ 2.89Å; D870-R908 IonicContact OD2-NH1 3.18Å; D870-R908 PolarHBondContact OD2-NH1 2.8Å; D870-R908 IonicContact OD2-NH2 3.44Å; D870-R908 PolarHBondContact OD2-NH2 3.17Å
871	G	84.1	Confident	87.5	Confident	10 Å²	10	42.8 Å²	42.8	10%	0.103	23%	0.225	C	C	.	.	S	Bend	trans	136.7	164.4	167	0	0	0	0	0	114.1	R851 L869 L873 E890	R851-G871 VanDerWaalsContact CB-O 3.31Å; R851-G871 WeakPolarHBondContact CB-O 3.44Å; R851-G871 VanDerWaalsContact CG-O 3.28Å; R851-G871 WeakPolarHBondContact CG-O 3.22Å; L869-G871 PolarHBondContact O-N 3.32Å; G871-L873 PolarHBondContact O-N 3.23Å; G871-E890 CarbonylContact C-O 3.57Å; G871-E890 WeakPolarHBondContact CA-O 3.31Å
872	L	85.8	Confident	87.7	Confident	50 Å²	50	42 Å²	42	26%	0.262	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	117.8	174.1	-54.6	179.5	0	0	0	108.3	W849 R851 A889 E890	W849-L872 HydrophobicContact CB-CD2 4.13Å; W849-L872 VanDerWaalsContact O-CD2 3.26Å; W849-L872 WeakPolarHBondContact O-CD2 3.04Å; R851-L872 HydrophobicContact CG-CD2 4.34Å; L872-A889 WeakPolarHBondContact O-CA 3.31Å; L872-E890 PolarHBondContact N-O 3.4Å; L872-E890 PolarHBondContact O-N 2.98Å
873	L	86.8	Confident	87.8	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	121.2	-172.3	-56.2	173.9	0	0	0	110.8	T832 V847 M853 L869 G871 A888 A889	T832-L873 WeakPolarHBondContact CG2-O 3.32Å; T832-L873 PolarHBondContact OG1-O 2.88Å; V847-L873 HydrophobicContact CG1-CB 3.19Å; V847-L873 HydrophobicContact CG1-CD1 3.88Å; V847-L873 HydrophobicContact CG1-CG 4.15Å; M853-L873 HydrophobicContact CB-CD1 4.38Å; L869-L873 HydrophobicContact CB-CD1 4.36Å; L869-L873 HydrophobicContact CB-CD2 4.01Å; L869-L873 HydrophobicContact CD1-CD1 3.95Å; L869-L873 HydrophobicContact CD1-CD2 3.86Å; L869-L873 HydrophobicContact CG-CD1 4.47Å; G871-L873 PolarHBondContact O-N 3.23Å; L873-A888 CarbonylContact C-O 3.58Å; L873-A888 VanDerWaalsContact CA-O 3.29Å; L873-A888 WeakPolarHBondContact CA-O 3.44Å; L873-A889 HydrophobicContact CD2-CB 3.76Å
874	T	82.4	Confident	87.9	Confident	7 Å²	7	40.6 Å²	40.6	4%	0.043	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-34.8	-165.2	73.8	0	0	0	0	113.6	M766 R769 A888 E890 T916 I917	M766-T874 HydrophobicContact CE-CG2 3.8Å; R769-T874 PolarHBondContact NH1-O 2.67Å; T874-A888 PolarHBondContact N-O 2.79Å; T874-A888 WeakPolarHBondContact OG1-CB 3.34Å; T874-E890 HydrophobicContact CG2-CB 3.98Å; T874-T916 HydrophobicContact CG2-CG2 4.41Å; T874-I917 WeakPolarHBondContact CB-O 3.15Å; T874-I917 PolarHBondContact OG1-O 3.29Å
875	S	86.3	Confident	88.1	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	156.9	-174.2	53.8	0	0	0	0	110.9	E833 C887 A888 R919 V920	E833-S875 WeakPolarHBondContact OE2-CA 3.46Å; E833-S875 WeakPolarHBondContact OE2-CB 3.37Å; S875-C887 WeakPolarHBondContact O-CA 3.41Å; S875-A888 PolarHBondContact O-N 3.49Å; S875-R919 WeakPolarHBondContact OG-CA 3.38Å; S875-V920 PolarHBondContact OG-N 3.2Å
876	C	89.9	Confident	88.1	Confident	2 Å²	2	36 Å²	36	1%	0.014	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	163.7	174.7	67.2	0	0	0	0	113.5	V847 V886 C887	V847-C876 HydrophobicContact CB-CB 4.26Å; V847-C876 HydrophobicContact CG2-CB 3.72Å; C876-V886 CarbonylContact C-O 3.55Å; C876-V886 WeakPolarHBondContact CA-O 3.3Å; C876-V886 WeakPolarHBondContact CB-O 3.4Å; C876-C887 VanDerWaalsContact CB-SG 3.56Å
877	S	90.5	Very high	88.1	Confident	11 Å²	11	32.1 Å²	32.1	8%	0.077	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	151.1	171.7	-160.2	0	0	0	0	110	V886 R921	S877-V886 PolarHBondContact N-O 2.98Å; S877-V886 PolarHBondContact O-N 2.86Å; S877-R921 WeakPolarHBondContact OG-CD 3.07Å; S877-R921 PolarHBondContact OG-NH1 2.78Å
878	C	89.4	Confident	88	Confident	13 Å²	13	30.8 Å²	30.8	9%	0.088	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	159.6	164.7	-165.7	0	0	0	0	110.4	L836 L884 L885 F922	L836-C878 WeakPolarHBondContact O-CB 3.44Å; C878-L884 WeakPolarHBondContact CA-O 3.19Å; C878-L884 PolarHBondContact SG-O 3.47Å; C878-L885 HydrophobicContact CB-CD2 3.85Å; C878-F922 VanDerWaalsContact C-CE2 3.49Å; C878-F922 WeakPolarHBondContact O-CD2 3.15Å
879	S	90.2	Very high	87.9	Confident	2 Å²	2	25.6 Å²	25.6	1%	0.014	14%	0.135	C	C	.	.			trans	-72.5	157.3	164.6	55.1	0	0	0	0	111.8	P838 D881 G882 R883 L884 D926	P838-S879 WeakPolarHBondContact CG-O 3.42Å; S879-D881 VanDerWaalsContact C-N 3.26Å; S879-D881 WeakPolarHBondContact CB-OD1 3.29Å; S879-D881 PolarHBondContact O-N 3.02Å; S879-D881 PolarHBondContact OG-OD1 3.26Å; S879-G882 PolarHBondContact O-N 3.24Å; S879-G882 VanDerWaalsContact O-N 3.16Å; S879-G882 PolarHBondContact OG-N 3.13Å; S879-R883 PolarHBondContact OG-N 3Å; S879-L884 PolarHBondContact N-O 3.43Å; S879-L884 PolarHBondContact OG-N 2.86Å; S879-L884 PolarHBondContact OG-O 3.48Å; S879-D926 WeakPolarHBondContact CA-OD1 3.48Å; S879-D926 VanDerWaalsContact CB-CG 3.45Å; S879-D926 WeakPolarHBondContact CB-OD1 3.49Å
880	S	84.1	Confident	87.6	Confident	75 Å²	75	27.1 Å²	27.1	52%	0.524	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-31.2	171.8	81.7	0	0	0	0	112.1	P838 G882 P924 D926	P838-S880 WeakPolarHBondContact CG-O 3.48Å; S880-G882 PolarHBondContact O-N 3.26Å; S880-P924 PolarHBondContact OG-O 2.85Å; S880-D926 WeakPolarHBondContact CA-OD2 3.25Å; S880-D926 VanDerWaalsContact CB-OD2 3.31Å; S880-D926 WeakPolarHBondContact CB-OD2 3.35Å; S880-D926 VanDerWaalsContact N-CG 3.31Å; S880-D926 PolarHBondContact N-OD1 2.96Å; S880-D926 PolarHBondContact N-OD2 2.7Å; S880-D926 PolarHBondContact OG-OD2 3.09Å
881	D	84.4	Confident	87	Confident	47 Å²	47	28.2 Å²	28.2	25%	0.251	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-2.4	173.7	99.4	-36.9	0	0	0	114.1	N839 S879 R883 D926	N839-D881 VanDerWaalsContact CG-O 3.3Å; N839-D881 PolarHBondContact ND2-O 3.03Å; N839-D881 PolarHBondContact OD1-O 2.68Å; N839-D881 VanDerWaalsContact OD1-O 3.07Å; S879-D881 VanDerWaalsContact C-N 3.26Å; S879-D881 WeakPolarHBondContact CB-OD1 3.29Å; S879-D881 PolarHBondContact O-N 3.02Å; S879-D881 PolarHBondContact OG-OD1 3.26Å; D881-R883 WeakPolarHBondContact O-CG 3.19Å; D881-R883 PolarHBondContact O-N 2.78Å; D881-R883 WeakPolarHBondContact OD1-CB 3.1Å; D881-R883 PolarHBondContact OD1-N 2.92Å; D881-R883 WeakPolarHBondContact OD2-CB 3.43Å; D881-R883 WeakPolarHBondContact OD2-CD 3.17Å; D881-R883 VanDerWaalsContact OD2-CG 3.25Å; D881-R883 WeakPolarHBondContact OD2-CG 3.46Å; D881-R883 IonicContact OD2-CZ 2.7Å; D881-R883 IonicContact OD2-NE 3.22Å; D881-R883 IonicContact OD2-NH1 2.72Å; D881-R883 PolarHBondContact OD2-NH1 3.05Å; D881-D926 PolarHBondContact N-OD2 2.86Å
882	G	85.2	Confident	86.5	Confident	5 Å²	5	31.9 Å²	31.9	5%	0.052	17%	0.168	C	C	.	.	S	Bend	trans	58.3	12.7	178	0	0	0	0	0	116.4	I837 N839 S879 S880 A900	I837-G882 WeakPolarHBondContact CG2-O 3.36Å; N839-G882 WeakPolarHBondContact ND2-CA 3.29Å; S879-G882 PolarHBondContact O-N 3.24Å; S879-G882 VanDerWaalsContact O-N 3.16Å; S879-G882 PolarHBondContact OG-N 3.13Å; S880-G882 PolarHBondContact O-N 3.26Å; G882-A900 WeakPolarHBondContact O-CB 3.3Å
883	R	87.9	Confident	86.4	Confident	176 Å²	176	30.5 Å²	30.5	66%	0.664	16%	0.161	S	C	*	.	S	Bend	trans	-96.6	-23.1	178.9	-60.6	-171.3	-174.6	122.6	-7.8	113.4	S879 D881 A900	S879-R883 PolarHBondContact OG-N 3Å; D881-R883 WeakPolarHBondContact O-CG 3.19Å; D881-R883 PolarHBondContact O-N 2.78Å; D881-R883 WeakPolarHBondContact OD1-CB 3.1Å; D881-R883 PolarHBondContact OD1-N 2.92Å; D881-R883 WeakPolarHBondContact OD2-CB 3.43Å; D881-R883 WeakPolarHBondContact OD2-CD 3.17Å; D881-R883 VanDerWaalsContact OD2-CG 3.25Å; D881-R883 WeakPolarHBondContact OD2-CG 3.46Å; D881-R883 IonicContact OD2-CZ 2.7Å; D881-R883 IonicContact OD2-NE 3.22Å; D881-R883 IonicContact OD2-NH1 2.72Å; D881-R883 PolarHBondContact OD2-NH1 3.05Å; R883-A900 WeakPolarHBondContact O-CB 3.16Å; R883-A900 PolarHBondContact O-N 2.94Å
884	L	91.6	Very high	86.5	Confident	37 Å²	37	30.5 Å²	30.5	19%	0.194	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	144.3	-173.5	-59.9	177.8	0	0	0	111.5	C878 S879 C898 L906 F922 L943	C878-L884 WeakPolarHBondContact CA-O 3.19Å; C878-L884 PolarHBondContact SG-O 3.47Å; S879-L884 PolarHBondContact N-O 3.43Å; S879-L884 PolarHBondContact OG-N 2.86Å; S879-L884 PolarHBondContact OG-O 3.48Å; L884-C898 WeakPolarHBondContact CA-O 3.4Å; L884-L906 HydrophobicContact CD2-CD1 3.59Å; L884-F922 HydrophobicContact CB-CE1 3.97Å; L884-F922 HydrophobicContact CB-CZ 3.63Å; L884-F922 HydrophobicContact CD1-CE1 4.27Å; L884-L943 HydrophobicContact CD1-CD1 4.36Å; L884-L943 HydrophobicContact CD1-CD2 4.05Å
885	L	92.1	Very high	87	Confident	4 Å²	4	30.2 Å²	30.2	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	146	170.8	-63.1	169.3	0	0	0	108.4	V845 M853 W865 C878 V897 C898 A900	V845-L885 HydrophobicContact CB-CD2 4.42Å; V845-L885 HydrophobicContact CG1-CD1 4.27Å; V845-L885 HydrophobicContact CG2-CD1 3.79Å; V845-L885 HydrophobicContact CG2-CD2 3.81Å; V845-L885 HydrophobicContact CG2-CG 4.48Å; M853-L885 HydrophobicContact SD-CD1 3.99Å; W865-L885 HydrophobicContact CH2-CD1 3.59Å; W865-L885 HydrophobicContact CZ2-CD1 3.66Å; C878-L885 HydrophobicContact CB-CD2 3.85Å; L885-V897 CarbonylContact O-C 3.58Å; L885-V897 WeakPolarHBondContact O-CA 3.43Å; L885-C898 HydrophobicContact CB-CB 4.34Å; L885-C898 PolarHBondContact N-O 3.02Å; L885-C898 PolarHBondContact O-N 3.3Å; L885-A900 HydrophobicContact CD1-CB 4.23Å; L885-A900 HydrophobicContact CD2-CB 4.44Å; L885-A900 HydrophobicContact CG-CB 3.93Å
886	V	92.6	Very high	87.3	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	134.5	169.5	168.9	0	0	0	0	109.6	C876 S877 V895 Y896 V897 V920 F922 V929	C876-V886 CarbonylContact C-O 3.55Å; C876-V886 WeakPolarHBondContact CA-O 3.3Å; C876-V886 WeakPolarHBondContact CB-O 3.4Å; S877-V886 PolarHBondContact N-O 2.98Å; S877-V886 PolarHBondContact O-N 2.86Å; V886-V895 HydrophobicContact CG1-CG1 3.61Å; V886-Y896 CarbonylContact C-O 3.59Å; V886-Y896 VanDerWaalsContact CA-O 3.25Å; V886-Y896 WeakPolarHBondContact CA-O 3.45Å; V886-V897 HydrophobicContact CG2-CB 4.43Å; V886-V897 HydrophobicContact CG2-CG1 4.21Å; V886-V897 HydrophobicContact CG2-CG2 4.16Å; V886-V920 HydrophobicContact CG1-CB 4.12Å; V886-V920 HydrophobicContact CG1-CG1 3.41Å; V886-V920 VanDerWaalsContact CG1-CG1 3.41Å; V886-F922 HydrophobicContact CB-CD2 4.49Å; V886-F922 HydrophobicContact CB-CE2 3.76Å; V886-F922 HydrophobicContact CB-CZ 4.17Å; V886-F922 HydrophobicContact CG2-CD2 4.42Å; V886-F922 HydrophobicContact CG2-CE1 4.2Å; V886-F922 HydrophobicContact CG2-CE2 3.54Å; V886-F922 HydrophobicContact CG2-CZ 3.42Å; V886-F922 VanDerWaalsContact CG2-CZ 3.42Å; V886-V929 HydrophobicContact CG1-CG1 3.91Å; V886-V929 HydrophobicContact CG2-CG1 4.28Å; V886-V929 HydrophobicContact CG2-CG2 3.99Å
887	C	91.4	Very high	87.4	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.007	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	148.6	175	-65.1	0	0	0	0	110.7	L869 S875 C876 Y896	L869-C887 HydrophobicContact CD1-CB 4.49Å; S875-C887 WeakPolarHBondContact O-CA 3.41Å; C876-C887 VanDerWaalsContact CB-SG 3.56Å; C887-Y896 PolarHBondContact N-O 3.16Å; C887-Y896 PolarHBondContact O-N 3.48Å
888	A	90.6	Very high	87.5	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	143.2	169.1	0	0	0	0	0	111.8	L873 T874 S875 T894 I917 V920	L873-A888 CarbonylContact C-O 3.58Å; L873-A888 VanDerWaalsContact CA-O 3.29Å; L873-A888 WeakPolarHBondContact CA-O 3.44Å; T874-A888 PolarHBondContact N-O 2.79Å; T874-A888 WeakPolarHBondContact OG1-CB 3.34Å; S875-A888 PolarHBondContact O-N 3.49Å; A888-T894 WeakPolarHBondContact CA-O 3.43Å; A888-I917 HydrophobicContact CB-CB 3.86Å; A888-I917 HydrophobicContact CB-CG2 3.67Å; A888-V920 HydrophobicContact CB-CG2 3.71Å
889	A	88.3	Confident	87.5	Confident	2 Å²	2	29.8 Å²	29.8	2%	0.017	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	130.4	-177.2	0	0	0	0	0	112.8	L872 L873 D893 T894 Y896	L872-A889 WeakPolarHBondContact O-CA 3.31Å; L873-A889 HydrophobicContact CD2-CB 3.76Å; A889-D893 PolarHBondContact O-N 3.32Å; A889-T894 PolarHBondContact N-O 3.2Å; A889-T894 PolarHBondContact O-N 3.07Å; A889-Y896 HydrophobicContact CB-CD2 4.01Å; A889-Y896 HydrophobicContact CB-CE2 3.7Å
890	E	82.8	Confident	87.4	Confident	41 Å²	41	29.8 Å²	29.8	19%	0.192	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	143.8	171.6	-172.8	176.2	-139	0	0	109.2	M766 G871 L872 T874 T916	M766-E890 WeakPolarHBondContact CE-OE2 3.33Å; G871-E890 CarbonylContact C-O 3.57Å; G871-E890 WeakPolarHBondContact CA-O 3.31Å; L872-E890 PolarHBondContact N-O 3.4Å; L872-E890 PolarHBondContact O-N 2.98Å; T874-E890 HydrophobicContact CG2-CB 3.98Å; E890-T916 HydrophobicContact CB-CG2 4.36Å; E890-T916 VanDerWaalsContact CD-CG2 3.44Å; E890-T916 HydrophobicContact CG-CG2 4.1Å; E890-T916 WeakPolarHBondContact OE1-CB 3.4Å; E890-T916 WeakPolarHBondContact OE1-CG2 3.33Å; E890-T916 PolarHBondContact OE1-OG1 3.39Å
891	P	70.3	Confident	87.4	Confident	110 Å²	110	31 Å²	31	71%	0.714	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	cis	-101.5	13.4	11.9	40.5	-37.1	0	0	0	115.4	D893	P891-D893 VanDerWaalsContact C-N 3.32Å
892	Q	73.4	Confident	87.3	Confident	86 Å²	86	30.7 Å²	30.7	40%	0.402	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	12.8	-178.1	-63.4	-174.6	-1.3	0	0	113.5	T894 N911	Q892-T894 VanDerWaalsContact CB-OG1 3.27Å; Q892-T894 WeakPolarHBondContact CB-OG1 3.41Å; Q892-T894 PolarHBondContact O-N 3.38Å; Q892-T894 PolarHBondContact O-OG1 2.59Å; Q892-N911 PolarHBondContact O-N 2.74Å
893	D	83.9	Confident	87.3	Confident	21 Å²	21	30.4 Å²	30.4	11%	0.112	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	35.7	51	-172.8	-65.3	-28	0	0	0	112.6	A889 P891 H912 H913 S915 T916 I917	A889-D893 PolarHBondContact O-N 3.32Å; P891-D893 VanDerWaalsContact C-N 3.32Å; D893-H912 WeakPolarHBondContact O-CB 3.35Å; D893-H912 PolarHBondContact O-N 2.86Å; D893-H913 HydrophobicContact CB-CB 4.33Å; D893-S915 VanDerWaalsContact CG-O 3.26Å; D893-S915 VanDerWaalsContact OD1-C 3.27Å; D893-S915 WeakPolarHBondContact OD2-CA 3.22Å; D893-S915 PolarHBondContact OD2-N 2.92Å; D893-T916 VanDerWaalsContact OD1-CA 3.24Å; D893-T916 WeakPolarHBondContact OD1-CA 3.47Å; D893-T916 PolarHBondContact OD1-N 2.81Å; D893-I917 HydrophobicContact CB-CD1 4.48Å; D893-I917 HydrophobicContact CB-CG1 4.32Å
894	T	89.5	Confident	87.3	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	129.6	-166.2	-68.3	0	0	0	0	110.3	A888 A889 Q892 Y896 R908 I909 S910	A888-T894 WeakPolarHBondContact CA-O 3.43Å; A889-T894 PolarHBondContact N-O 3.2Å; A889-T894 PolarHBondContact O-N 3.07Å; Q892-T894 VanDerWaalsContact CB-OG1 3.27Å; Q892-T894 WeakPolarHBondContact CB-OG1 3.41Å; Q892-T894 PolarHBondContact O-N 3.38Å; Q892-T894 PolarHBondContact O-OG1 2.59Å; T894-Y896 HydrophobicContact CG2-CD2 3.85Å; T894-Y896 HydrophobicContact CG2-CE1 4.49Å; T894-Y896 HydrophobicContact CG2-CE2 3.47Å; T894-Y896 VanDerWaalsContact CG2-CE2 3.47Å; T894-Y896 HydrophobicContact CG2-CG 4.49Å; T894-R908 HydrophobicContact CG2-CG 3.58Å; T894-I909 VanDerWaalsContact CA-O 3.27Å; T894-I909 WeakPolarHBondContact CA-O 3.48Å; T894-S910 WeakPolarHBondContact OG1-CA 3.44Å
895	V	92.4	Very high	87.2	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124	169	-176.5	0	0	0	0	108.8	V886 I909 H912 I917	V886-V895 HydrophobicContact CG1-CG1 3.61Å; V895-I909 HydrophobicContact CB-CB 4.3Å; V895-I909 HydrophobicContact CB-CD1 4.05Å; V895-I909 HydrophobicContact CG1-CD1 4.2Å; V895-I909 PolarHBondContact N-O 3.12Å; V895-I909 PolarHBondContact O-N 2.95Å; V895-H912 HydrophobicContact CG2-CB 4.28Å; V895-I917 HydrophobicContact CG2-CD1 3.54Å
896	Y	92.3	Very high	87.1	Confident	5 Å²	5	33.9 Å²	33.9	2%	0.02	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	132.1	172.4	-74.5	-85.5	0	0	0	109.7	L869 D870 V886 C887 A889 T894 T905 H907 R908	L869-Y896 HydrophobicContact CB-CE2 4.4Å; L869-Y896 HydrophobicContact CD1-CD2 4.27Å; L869-Y896 HydrophobicContact CD1-CG 4.19Å; L869-Y896 HydrophobicContact CD2-CD1 4.07Å; L869-Y896 HydrophobicContact CD2-CE1 4.17Å; L869-Y896 HydrophobicContact CD2-CG 4.41Å; D870-Y896 WeakPolarHBondContact CB-OH 3.36Å; D870-Y896 PolarHBondContact N-OH 2.97Å; V886-Y896 CarbonylContact C-O 3.59Å; V886-Y896 VanDerWaalsContact CA-O 3.25Å; V886-Y896 WeakPolarHBondContact CA-O 3.45Å; C887-Y896 PolarHBondContact N-O 3.16Å; C887-Y896 PolarHBondContact O-N 3.48Å; A889-Y896 HydrophobicContact CB-CD2 4.01Å; A889-Y896 HydrophobicContact CB-CE2 3.7Å; T894-Y896 HydrophobicContact CG2-CD2 3.85Å; T894-Y896 HydrophobicContact CG2-CE1 4.49Å; T894-Y896 HydrophobicContact CG2-CE2 3.47Å; T894-Y896 VanDerWaalsContact CG2-CE2 3.47Å; T894-Y896 HydrophobicContact CG2-CG 4.49Å; Y896-T905 HydrophobicContact CD1-CG2 3.74Å; Y896-T905 HydrophobicContact CE1-CG2 4.13Å; Y896-H907 WeakPolarHBondContact CA-O 3.17Å; Y896-R908 HydrophobicContact CD1-CB 4.27Å; Y896-R908 HydrophobicContact CD1-CG 4.26Å; Y896-R908 HydrophobicContact CE1-CB 4.07Å; Y896-R908 HydrophobicContact CE1-CG 3.71Å; Y896-R908 PolarHBondContact OH-NE 3.35Å; Y896-R908 PolarHBondContact OH-NH1 3.26Å; Y896-R908 PolarHBondContact OH-NH2 3.11Å
897	V	93.1	Very high	86.9	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126	165.5	-168.5	0	0	0	0	107.3	L885 V886 L906 H907 I909 W941 L943	L885-V897 CarbonylContact O-C 3.58Å; L885-V897 WeakPolarHBondContact O-CA 3.43Å; V886-V897 HydrophobicContact CG2-CB 4.43Å; V886-V897 HydrophobicContact CG2-CG1 4.21Å; V886-V897 HydrophobicContact CG2-CG2 4.16Å; V897-L906 PolarHBondContact O-N 3.07Å; V897-H907 HydrophobicContact CB-CB 4.08Å; V897-H907 HydrophobicContact CG2-CB 4.04Å; V897-H907 PolarHBondContact N-O 2.96Å; V897-H907 PolarHBondContact O-N 2.88Å; V897-H907 VanDerWaalsContact O-N 3.09Å; V897-I909 HydrophobicContact CG2-CD1 4.34Å; V897-W941 HydrophobicContact CG2-CH2 3.91Å; V897-W941 HydrophobicContact CG2-CZ3 3.63Å; V897-L943 HydrophobicContact CG1-CD2 3.83Å; V897-L943 HydrophobicContact CG2-CD2 4.41Å
898	C	92.4	Very high	86.9	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	155.5	-174.6	-58.8	0	0	0	0	111.9	M853 L884 L885 G903 Q904	M853-C898 HydrophobicContact CE-CB 3.88Å; L884-C898 WeakPolarHBondContact CA-O 3.4Å; L885-C898 HydrophobicContact CB-CB 4.34Å; L885-C898 PolarHBondContact N-O 3.02Å; L885-C898 PolarHBondContact O-N 3.3Å; C898-G903 WeakPolarHBondContact CB-O 3.16Å; C898-Q904 CarbonylContact C-O 3.52Å; C898-Q904 WeakPolarHBondContact CA-O 3.35Å
899	G	90	Very high	86.8	Confident	10 Å²	10	43.1 Å²	43.1	10%	0.103	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	126.4	171.7	0	0	0	0	0	111.9	S901 G902 G903 Q904	G899-S901 PolarHBondContact O-N 3Å; G899-G902 PolarHBondContact O-N 2.82Å; G899-G903 WeakPolarHBondContact O-CA 3.32Å; G899-G903 PolarHBondContact O-N 3.22Å; G899-Q904 PolarHBondContact N-O 2.82Å
900	A	86.9	Confident	86.7	Confident	3 Å²	3	46 Å²	46	3%	0.025	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.2	-176.2	0	0	0	0	0	114.2	I837 W865 G882 R883 L885	I837-A900 HydrophobicContact CD1-CB 4.21Å; W865-A900 PolarHBondContact NE1-O 3.32Å; W865-A900 VanDerWaalsContact NE1-O 3.14Å; G882-A900 WeakPolarHBondContact O-CB 3.3Å; R883-A900 WeakPolarHBondContact O-CB 3.16Å; R883-A900 PolarHBondContact O-N 2.94Å; L885-A900 HydrophobicContact CD1-CB 4.23Å; L885-A900 HydrophobicContact CD2-CB 4.44Å; L885-A900 HydrophobicContact CG-CB 3.93Å
901	S	84.7	Confident	86.7	Confident	101 Å²	101	50 Å²	50	71%	0.706	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-25.5	-179.4	51.1	0	0	0	0	114.5	W865 G899	W865-S901 PolarHBondContact NE1-O 2.61Å; G899-S901 PolarHBondContact O-N 3Å
902	G	82.4	Confident	87.3	Confident	39 Å²	39	45.3 Å²	45.3	40%	0.402	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159	18.9	-171.4	0	0	0	0	0	115.7	G899 Q904	G899-G902 PolarHBondContact O-N 2.82Å; G902-Q904 PolarHBondContact O-N 3.13Å
903	G	84.3	Confident	87.9	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.233	C	C	.	.			trans	70	-14.2	174.4	0	0	0	0	0	116.8	W865 T867 C898 G899 T905	W865-G903 VanDerWaalsContact CE2-N 3.29Å; W865-G903 VanDerWaalsContact CH2-CA 3.45Å; W865-G903 VanDerWaalsContact CZ3-CA 3.42Å; T867-G903 WeakPolarHBondContact OG1-CA 3.41Å; C898-G903 WeakPolarHBondContact CB-O 3.16Å; G899-G903 WeakPolarHBondContact O-CA 3.32Å; G899-G903 PolarHBondContact O-N 3.22Å; G903-T905 PolarHBondContact O-N 3.26Å
904	Q	88.4	Confident	88	Confident	143 Å²	143	45.5 Å²	45.5	67%	0.668	26%	0.262	S	S	*	.			trans	-49.6	124.1	-175.5	-174.5	-177.2	13.1	0	0	112.7	C898 G899 G902 L906	C898-Q904 CarbonylContact C-O 3.52Å; C898-Q904 WeakPolarHBondContact CA-O 3.35Å; G899-Q904 PolarHBondContact N-O 2.82Å; G902-Q904 PolarHBondContact O-N 3.13Å; Q904-L906 PolarHBondContact O-N 3.38Å
905	T	90.6	Very high	87.9	Confident	64 Å²	64	47.4 Å²	47.4	39%	0.393	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	115.7	173.1	56.3	0	0	0	0	110.6	L869 Y896 G903	L869-T905 HydrophobicContact CD2-CG2 3.35Å; Y896-T905 HydrophobicContact CD1-CG2 3.74Å; Y896-T905 HydrophobicContact CE1-CG2 4.13Å; G903-T905 PolarHBondContact O-N 3.26Å
906	L	89.1	Confident	87.6	Confident	82 Å²	82	48 Å²	48	43%	0.429	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-49.6	173.4	-57.2	176.8	0	0	0	109.9	L884 V897 Q904	L884-L906 HydrophobicContact CD2-CD1 3.59Å; V897-L906 PolarHBondContact O-N 3.07Å; Q904-L906 PolarHBondContact O-N 3.38Å
907	H	88.2	Confident	87.5	Confident	57 Å²	57	47.9 Å²	47.9	26%	0.264	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	139.5	-177.7	-60.9	-30.5	0	0	0	111.3	Y896 V897 W941 K946	Y896-H907 WeakPolarHBondContact CA-O 3.17Å; V897-H907 HydrophobicContact CB-CB 4.08Å; V897-H907 HydrophobicContact CG2-CB 4.04Å; V897-H907 PolarHBondContact N-O 2.96Å; V897-H907 PolarHBondContact O-N 2.88Å; V897-H907 VanDerWaalsContact O-N 3.09Å; H907-W941 HydrophobicContact CB-CH2 4.35Å; H907-W941 AromaticContact CD2-CH2 3.91Å; H907-K946 PolarHBondContact CE1-NZ 2.98Å; H907-K946 VanDerWaalsContact CE1-NZ 3.26Å; H907-K946 VanDerWaalsContact NE2-CE 3.28Å; H907-K946 WeakPolarHBondContact NE2-CE 3.44Å; H907-K946 PolarHBondContact NE2-NZ 3.46Å; H907-K946 VanDerWaalsContact NE2-NZ 3.14Å
908	R	90.9	Very high	87.3	Confident	110 Å²	110	48.4 Å²	48.4	42%	0.415	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119.1	174	179.7	-173.3	-174.5	148.5	1.2	107.8	D870 T894 Y896	D870-R908 IonicContact OD2-CZ 2.89Å; D870-R908 IonicContact OD2-NH1 3.18Å; D870-R908 PolarHBondContact OD2-NH1 2.8Å; D870-R908 IonicContact OD2-NH2 3.44Å; D870-R908 PolarHBondContact OD2-NH2 3.17Å; T894-R908 HydrophobicContact CG2-CG 3.58Å; Y896-R908 HydrophobicContact CD1-CB 4.27Å; Y896-R908 HydrophobicContact CD1-CG 4.26Å; Y896-R908 HydrophobicContact CE1-CB 4.07Å; Y896-R908 HydrophobicContact CE1-CG 3.71Å; Y896-R908 PolarHBondContact OH-NE 3.35Å; Y896-R908 PolarHBondContact OH-NH1 3.26Å; Y896-R908 PolarHBondContact OH-NH2 3.11Å
909	I	89.8	Confident	87.1	Confident	28 Å²	28	48.4 Å²	48.4	14%	0.144	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	88.2	-174.7	-49.6	152	0	0	0	106.9	T894 V895 V897 H912 W941	T894-I909 VanDerWaalsContact CA-O 3.27Å; T894-I909 WeakPolarHBondContact CA-O 3.48Å; V895-I909 HydrophobicContact CB-CB 4.3Å; V895-I909 HydrophobicContact CB-CD1 4.05Å; V895-I909 HydrophobicContact CG1-CD1 4.2Å; V895-I909 PolarHBondContact N-O 3.12Å; V895-I909 PolarHBondContact O-N 2.95Å; V897-I909 HydrophobicContact CG2-CD1 4.34Å; I909-H912 HydrophobicContact CG2-CB 4.07Å; I909-H912 WeakPolarHBondContact CG2-ND1 3.46Å; I909-W941 HydrophobicContact CD1-CD2 3.47Å; I909-W941 VanDerWaalsContact CD1-CD2 3.47Å; I909-W941 HydrophobicContact CD1-CE3 3.82Å; I909-W941 HydrophobicContact CD1-CG 3.96Å; I909-W941 HydrophobicContact CD1-CH2 3.96Å; I909-W941 HydrophobicContact CD1-CZ2 3.62Å; I909-W941 HydrophobicContact CD1-CZ3 4.03Å; I909-W941 HydrophobicContact CG1-CZ2 4.06Å
910	S	86.5	Confident	87.2	Confident	64 Å²	64	48 Å²	48	45%	0.448	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	156.8	-178.6	50.2	0	0	0	0	112.8	T894 H912	T894-S910 WeakPolarHBondContact OG1-CA 3.44Å; S910-H912 PolarHBondContact O-N 2.93Å; S910-H912 VanDerWaalsContact O-N 3.16Å
911	N	80.8	Confident	87.5	Confident	124 Å²	124	50.2 Å²	50.2	66%	0.663	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	33.7	-177.1	-54.6	-34.6	0	0	0	112.6	Q892 H913	Q892-N911 PolarHBondContact O-N 2.74Å; N911-H913 VanDerWaalsContact C-N 3.29Å; N911-H913 CarbonylContact C-O 3.58Å; N911-H913 PolarHBondContact O-N 2.86Å
912	H	83	Confident	87.8	Confident	12 Å²	12	46.2 Å²	46.2	6%	0.056	26%	0.255	C	S	.	.			trans	-69.4	-32.8	-173.2	-172.2	64.1	0	0	0	111.6	D893 V895 I909 S910 I917 S931 K939 T948	D893-H912 WeakPolarHBondContact O-CB 3.35Å; D893-H912 PolarHBondContact O-N 2.86Å; V895-H912 HydrophobicContact CG2-CB 4.28Å; I909-H912 HydrophobicContact CG2-CB 4.07Å; I909-H912 WeakPolarHBondContact CG2-ND1 3.46Å; S910-H912 PolarHBondContact O-N 2.93Å; S910-H912 VanDerWaalsContact O-N 3.16Å; H912-I917 HydrophobicContact CB-CD1 4.41Å; H912-S931 PolarHBondContact CD2-OG 3.04Å; H912-S931 PolarHBondContact NE2-OG 3.44Å; H912-K939 VanDerWaalsContact O-CD 3.31Å; H912-K939 WeakPolarHBondContact O-CD 3.27Å; H912-K939 PolarHBondContact O-NZ 2.81Å; H912-T948 VanDerWaalsContact CE1-CG2 3.45Å; H912-T948 WeakPolarHBondContact CE1-CG2 3.37Å
913	H	87.6	Confident	88.1	Confident	8 Å²	8	44.3 Å²	44.3	4%	0.037	24%	0.236	C	C	.	.	S	Bend	trans	-119.4	171.2	169.8	-78.9	-84.6	0	0	0	110.3	D893 N911 S915 I917 S931 S933 D935 T937	D893-H913 HydrophobicContact CB-CB 4.33Å; N911-H913 VanDerWaalsContact C-N 3.29Å; N911-H913 CarbonylContact C-O 3.58Å; N911-H913 PolarHBondContact O-N 2.86Å; H913-S915 WeakPolarHBondContact CB-O 3.43Å; H913-I917 HydrophobicContact CB-CG1 4.09Å; H913-S931 PolarHBondContact NE2-OG 3.02Å; H913-S933 WeakPolarHBondContact ND1-CB 3.21Å; H913-D935 WeakPolarHBondContact CA-OD2 3.11Å; H913-D935 VanDerWaalsContact CB-OD2 3.24Å; H913-D935 WeakPolarHBondContact CB-OD2 3.27Å; H913-D935 IonicContact CE1-OD1 3.81Å; H913-D935 IonicContact CG-OD2 3.35Å; H913-D935 IonicContact ND1-OD1 3.07Å; H913-D935 PolarHBondContact ND1-OD1 3.37Å; H913-D935 IonicContact ND1-OD2 2.69Å; H913-D935 PolarHBondContact ND1-OD2 2.96Å; H913-T937 PolarHBondContact CE1-OG1 2.9Å; H913-T937 PolarHBondContact ND1-OG1 3.43Å
914	S	86.3	Confident	88	Confident	103 Å²	103	46.2 Å²	46.2	72%	0.72	25%	0.248	S	C	*	.	S	Bend	trans	-101.8	13.8	172.9	66.9	0	0	0	0	113.2	D935	S914-D935 PolarHBondContact N-OD2 3.25Å; S914-D935 WeakPolarHBondContact OG-CB 3.39Å
915	S	86.6	Confident	87.8	Confident	40 Å²	40	42.5 Å²	42.5	28%	0.28	24%	0.236	S	C	.	.	S	Bend	trans	-166.4	168.8	173.7	-160.3	0	0	0	0	110	D893 H913 I917 S933	D893-S915 VanDerWaalsContact CG-O 3.26Å; D893-S915 VanDerWaalsContact OD1-C 3.27Å; D893-S915 WeakPolarHBondContact OD2-CA 3.22Å; D893-S915 PolarHBondContact OD2-N 2.92Å; H913-S915 WeakPolarHBondContact CB-O 3.43Å; S915-I917 PolarHBondContact O-N 3.34Å; S915-S933 PolarHBondContact O-OG 2.96Å
916	T	86.1	Confident	87.5	Confident	15 Å²	15	40.6 Å²	40.6	9%	0.092	22%	0.224	C	C	.	.			trans	-44	122.6	-173	-44	0	0	0	0	113.3	I762 M766 T874 E890 D893 T918 S933 A934	I762-T916 HydrophobicContact CG2-CG2 4.19Å; M766-T916 HydrophobicContact SD-CG2 4.35Å; T874-T916 HydrophobicContact CG2-CG2 4.41Å; E890-T916 HydrophobicContact CB-CG2 4.36Å; E890-T916 VanDerWaalsContact CD-CG2 3.44Å; E890-T916 HydrophobicContact CG-CG2 4.1Å; E890-T916 WeakPolarHBondContact OE1-CB 3.4Å; E890-T916 WeakPolarHBondContact OE1-CG2 3.33Å; E890-T916 PolarHBondContact OE1-OG1 3.39Å; D893-T916 VanDerWaalsContact OD1-CA 3.24Å; D893-T916 WeakPolarHBondContact OD1-CA 3.47Å; D893-T916 PolarHBondContact OD1-N 2.81Å; T916-T918 PolarHBondContact O-N 2.82Å; T916-S933 WeakPolarHBondContact O-CA 3.46Å; T916-S933 PolarHBondContact O-OG 3.02Å; T916-A934 PolarHBondContact O-N 3.03Å
917	I	90	Very high	87.4	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	118	173.8	-53.6	-177.7	0	0	0	109	T874 A888 D893 V895 H912 H913 S915 V920 V932	T874-I917 WeakPolarHBondContact CB-O 3.15Å; T874-I917 PolarHBondContact OG1-O 3.29Å; A888-I917 HydrophobicContact CB-CB 3.86Å; A888-I917 HydrophobicContact CB-CG2 3.67Å; D893-I917 HydrophobicContact CB-CD1 4.48Å; D893-I917 HydrophobicContact CB-CG1 4.32Å; V895-I917 HydrophobicContact CG2-CD1 3.54Å; H912-I917 HydrophobicContact CB-CD1 4.41Å; H913-I917 HydrophobicContact CB-CG1 4.09Å; S915-I917 PolarHBondContact O-N 3.34Å; I917-V920 HydrophobicContact CG2-CG2 3.55Å; I917-V932 CarbonylContact C-O 3.57Å; I917-V932 WeakPolarHBondContact CA-O 3.48Å; I917-V932 WeakPolarHBondContact CG2-O 3.46Å
918	T	88.1	Confident	87.6	Confident	11 Å²	11	41.8 Å²	41.8	7%	0.067	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-29.2	-170	57.2	0	0	0	0	113.9	T916 V932 V959 I960	T916-T918 PolarHBondContact O-N 2.82Å; T918-V932 PolarHBondContact N-O 2.84Å; T918-V932 PolarHBondContact OG1-O 3.16Å; T918-V959 HydrophobicContact CG2-CG1 4.13Å; T918-I960 WeakPolarHBondContact CB-O 3.35Å; T918-I960 PolarHBondContact OG1-O 2.81Å
919	R	89.2	Confident	87.6	Confident	1 Å²	1	36.6 Å²	36.6	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	152	169.1	-147.6	170.3	-162.6	153.6	8.9	111	R769 E833 S875 V932 S962 D1051	R769-R919 VanDerWaalsContact NH2-NH2 3.13Å; E833-R919 IonicContact OE1-CZ 2.63Å; E833-R919 IonicContact OE1-NE 3.13Å; E833-R919 PolarHBondContact OE1-NE 3.22Å; E833-R919 IonicContact OE1-NH2 3.85Å; E833-R919 PolarHBondContact OE1-NH2 3.2Å; E833-R919 IonicContact OE2-NE 2.88Å; S875-R919 WeakPolarHBondContact OG-CA 3.38Å; R919-V932 PolarHBondContact N-O 3.13Å; R919-V932 PolarHBondContact O-N 3.3Å; R919-S962 VanDerWaalsContact CD-OG 3.22Å; R919-S962 WeakPolarHBondContact CD-OG 3.36Å; R919-S962 PolarHBondContact NH1-OG 3.48Å; R919-D1051 IonicContact CZ-OD1 3.2Å; R919-D1051 IonicContact CZ-OD2 2.68Å; R919-D1051 IonicContact NH1-OD1 2.7Å; R919-D1051 PolarHBondContact NH1-OD1 3.07Å; R919-D1051 IonicContact NH1-OD2 3.8Å; R919-D1051 IonicContact NH2-OD1 3.16Å; R919-D1051 PolarHBondContact NH2-OD1 3.44Å; R919-D1051 IonicContact NH2-OD2 2.78Å; R919-D1051 PolarHBondContact NH2-OD2 3.39Å
920	V	92.4	Very high	87.8	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	141.3	172.1	-168	0	0	0	0	110.1	S875 V886 A888 I917 V929 A930	S875-V920 PolarHBondContact OG-N 3.2Å; V886-V920 HydrophobicContact CG1-CB 4.12Å; V886-V920 HydrophobicContact CG1-CG1 3.41Å; V886-V920 VanDerWaalsContact CG1-CG1 3.41Å; A888-V920 HydrophobicContact CB-CG2 3.71Å; I917-V920 HydrophobicContact CG2-CG2 3.55Å; V920-V929 HydrophobicContact CG1-CG1 3.31Å; V920-A930 CarbonylContact C-O 3.59Å; V920-A930 VanDerWaalsContact CA-O 3.29Å; V920-A930 WeakPolarHBondContact CA-O 3.33Å; V920-A930 WeakPolarHBondContact CG1-O 3.48Å
921	R	91.7	Very high	88	Confident	50 Å²	50	32.2 Å²	32.2	19%	0.189	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	151.1	178.2	-72.2	-59.3	-164.4	179	4.6	111.6	S877 V929 A930 F965	S877-R921 WeakPolarHBondContact OG-CD 3.07Å; S877-R921 PolarHBondContact OG-NH1 2.78Å; R921-V929 CarbonylContact O-C 3.59Å; R921-V929 WeakPolarHBondContact O-CA 3.46Å; R921-A930 PolarHBondContact N-O 3.37Å; R921-A930 PolarHBondContact O-N 3.18Å; R921-F965 HydrophobicContact CB-CD2 4.31Å; R921-F965 HydrophobicContact CB-CE2 4.44Å
922	F	91.3	Very high	88.5	Confident	17 Å²	17	26.3 Å²	26.3	8%	0.075	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	146.4	165.7	-77.4	-98	0	0	0	110.9	C878 L884 V886 V929 L943 F965	C878-F922 VanDerWaalsContact C-CE2 3.49Å; C878-F922 WeakPolarHBondContact O-CD2 3.15Å; L884-F922 HydrophobicContact CB-CE1 3.97Å; L884-F922 HydrophobicContact CB-CZ 3.63Å; L884-F922 HydrophobicContact CD1-CE1 4.27Å; V886-F922 HydrophobicContact CB-CD2 4.49Å; V886-F922 HydrophobicContact CB-CE2 3.76Å; V886-F922 HydrophobicContact CB-CZ 4.17Å; V886-F922 HydrophobicContact CG2-CD2 4.42Å; V886-F922 HydrophobicContact CG2-CE1 4.2Å; V886-F922 HydrophobicContact CG2-CE2 3.54Å; V886-F922 HydrophobicContact CG2-CZ 3.42Å; V886-F922 VanDerWaalsContact CG2-CZ 3.42Å; F922-V929 HydrophobicContact CD1-CG2 4.32Å; F922-V929 HydrophobicContact CE1-CG2 4.32Å; F922-L943 HydrophobicContact CD1-CD1 4.19Å; F922-L943 HydrophobicContact CE1-CD1 3.83Å; F922-F965 WeakPolarHBondContact O-CD2 3.29Å; F922-F965 WeakPolarHBondContact O-CE2 3.4Å
923	D	89.6	Confident	88.9	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.143	C	C	.	.			trans	-74.8	133.5	163	-174.1	23.3	0	0	0	108.3	P925 D926 R928 F965 G969	D923-P925 VanDerWaalsContact C-CD 3.4Å; D923-P925 VanDerWaalsContact O-N 3.13Å; D923-D926 VanDerWaalsContact O-CA 3.27Å; D923-D926 WeakPolarHBondContact O-CA 3.4Å; D923-D926 PolarHBondContact O-N 2.9Å; D923-R928 HydrophobicContact CB-CB 3.87Å; D923-R928 VanDerWaalsContact CB-O 3.26Å; D923-R928 WeakPolarHBondContact CB-O 3.25Å; D923-R928 PolarHBondContact N-O 3.21Å; D923-R928 IonicContact OD1-NH2 3.15Å; D923-R928 IonicContact OD2-CZ 3.93Å; D923-R928 IonicContact OD2-NE 2.63Å; D923-R928 PolarHBondContact OD2-NE 2.89Å; D923-R928 IonicContact OD2-NH2 2.65Å; D923-R928 PolarHBondContact OD2-NH2 3.26Å; D923-F965 HydrophobicContact CB-CE1 3.96Å; D923-F965 HydrophobicContact CB-CE2 4.02Å; D923-F965 HydrophobicContact CB-CZ 3.64Å; D923-F965 WeakPolarHBondContact OD1-CE1 3.35Å; D923-G969 WeakPolarHBondContact OD1-CA 3.18Å
924	P	83	Confident	88.9	Confident	40 Å²	40	25.8 Å²	25.8	26%	0.26	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-28.7	-174.3	-30.9	37.5	0	0	0	119.1	S880 D926 F965 N966 G967	S880-P924 PolarHBondContact OG-O 2.85Å; P924-D926 PolarHBondContact O-N 2.77Å; P924-F965 HydrophobicContact CG-CB 4.27Å; P924-N966 WeakPolarHBondContact CG-O 3.07Å; P924-G967 WeakPolarHBondContact CB-O 3.16Å
925	P	82.9	Confident	89.1	Confident	65 Å²	65	22.3 Å²	22.3	42%	0.422	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	5.9	168.3	30.1	-37.3	0	0	0	114.3	D923 Q927	D923-P925 VanDerWaalsContact C-CD 3.4Å; D923-P925 VanDerWaalsContact O-N 3.13Å; P925-Q927 HydrophobicContact CB-CG 4.44Å; P925-Q927 PolarHBondContact O-N 2.93Å
926	D	84.6	Confident	89.2	Confident	23 Å²	23	25.3 Å²	25.3	12%	0.123	12%	0.123	C	C	.	.	S	Bend	trans	52.2	17.1	-176.7	-66.7	-48.4	0	0	0	116	S879 S880 D881 D923 P924 L943	S879-D926 WeakPolarHBondContact CA-OD1 3.48Å; S879-D926 VanDerWaalsContact CB-CG 3.45Å; S879-D926 WeakPolarHBondContact CB-OD1 3.49Å; S880-D926 WeakPolarHBondContact CA-OD2 3.25Å; S880-D926 VanDerWaalsContact CB-OD2 3.31Å; S880-D926 WeakPolarHBondContact CB-OD2 3.35Å; S880-D926 VanDerWaalsContact N-CG 3.31Å; S880-D926 PolarHBondContact N-OD1 2.96Å; S880-D926 PolarHBondContact N-OD2 2.7Å; S880-D926 PolarHBondContact OG-OD2 3.09Å; D881-D926 PolarHBondContact N-OD2 2.86Å; D923-D926 VanDerWaalsContact O-CA 3.27Å; D923-D926 WeakPolarHBondContact O-CA 3.4Å; D923-D926 PolarHBondContact O-N 2.9Å; P924-D926 PolarHBondContact O-N 2.77Å; D926-L943 WeakPolarHBondContact O-CD1 3.47Å
927	Q	87.9	Confident	89.4	Confident	101 Å²	101	25.5 Å²	25.5	47%	0.472	12%	0.124	S	C	.	.	S	Bend	trans	-81.4	-24.7	177.1	-68.4	174.5	13.2	0	0	112.8	P925 L943	P925-Q927 HydrophobicContact CB-CG 4.44Å; P925-Q927 PolarHBondContact O-N 2.93Å; Q927-L943 PolarHBondContact O-N 2.96Å
928	R	90.4	Very high	89.5	Confident	64 Å²	64	25.4 Å²	25.4	24%	0.242	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	156.4	-170.1	-63.1	175.8	-64.3	-165	2.6	112.1	D923 W941	D923-R928 HydrophobicContact CB-CB 3.87Å; D923-R928 VanDerWaalsContact CB-O 3.26Å; D923-R928 WeakPolarHBondContact CB-O 3.25Å; D923-R928 PolarHBondContact N-O 3.21Å; D923-R928 IonicContact OD1-NH2 3.15Å; D923-R928 IonicContact OD2-CZ 3.93Å; D923-R928 IonicContact OD2-NE 2.63Å; D923-R928 PolarHBondContact OD2-NE 2.89Å; D923-R928 IonicContact OD2-NH2 2.65Å; D923-R928 PolarHBondContact OD2-NH2 3.26Å; R928-W941 CarbonylContact C-O 3.5Å; R928-W941 VanDerWaalsContact CA-O 3.28Å; R928-W941 WeakPolarHBondContact CA-O 3.45Å
929	V	92.7	Very high	89.7	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	119	-179.9	176.9	0	0	0	0	107.8	V886 V920 R921 F922 L940 W941 L943	V886-V929 HydrophobicContact CG1-CG1 3.91Å; V886-V929 HydrophobicContact CG2-CG1 4.28Å; V886-V929 HydrophobicContact CG2-CG2 3.99Å; V920-V929 HydrophobicContact CG1-CG1 3.31Å; R921-V929 CarbonylContact O-C 3.59Å; R921-V929 WeakPolarHBondContact O-CA 3.46Å; F922-V929 HydrophobicContact CD1-CG2 4.32Å; F922-V929 HydrophobicContact CE1-CG2 4.32Å; V929-L940 WeakPolarHBondContact O-CA 3.26Å; V929-W941 HydrophobicContact CB-CE3 4.29Å; V929-W941 HydrophobicContact CG2-CE3 4.09Å; V929-W941 HydrophobicContact CG2-CZ3 4.47Å; V929-W941 PolarHBondContact N-O 3.12Å; V929-W941 PolarHBondContact O-N 2.98Å; V929-L943 HydrophobicContact CG2-CD1 3.91Å; V929-L943 HydrophobicContact CG2-CG 4.21Å
930	A	92.3	Very high	89.8	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	111.8	171.4	0	0	0	0	0	110.5	V920 R921 K939 L940 F965 L972	V920-A930 CarbonylContact C-O 3.59Å; V920-A930 VanDerWaalsContact CA-O 3.29Å; V920-A930 WeakPolarHBondContact CA-O 3.33Å; V920-A930 WeakPolarHBondContact CG1-O 3.48Å; R921-A930 PolarHBondContact N-O 3.37Å; R921-A930 PolarHBondContact O-N 3.18Å; A930-K939 WeakPolarHBondContact CA-O 3.47Å; A930-L940 HydrophobicContact CB-CD2 3.62Å; A930-F965 HydrophobicContact CB-CD2 4.48Å; A930-F965 HydrophobicContact CB-CE2 3.4Å; A930-F965 HydrophobicContact CB-CZ 3.52Å; A930-L972 HydrophobicContact CB-CD1 4.13Å
931	S	92.3	Very high	89.8	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	142.6	169.6	51.2	0	0	0	0	110.4	H912 H913 K939	H912-S931 PolarHBondContact CD2-OG 3.04Å; H912-S931 PolarHBondContact NE2-OG 3.44Å; H913-S931 PolarHBondContact NE2-OG 3.02Å; S931-K939 PolarHBondContact N-O 3.18Å; S931-K939 PolarHBondContact O-N 2.61Å; S931-K939 WeakPolarHBondContact OG-CB 3.36Å; S931-K939 PolarHBondContact OG-O 2.97Å
932	V	91.3	Very high	89.8	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	138.7	-175.2	167.6	0	0	0	0	109.5	I917 T918 R919 I938 I960 C963	I917-V932 CarbonylContact C-O 3.57Å; I917-V932 WeakPolarHBondContact CA-O 3.48Å; I917-V932 WeakPolarHBondContact CG2-O 3.46Å; T918-V932 PolarHBondContact N-O 2.84Å; T918-V932 PolarHBondContact OG1-O 3.16Å; R919-V932 PolarHBondContact N-O 3.13Å; R919-V932 PolarHBondContact O-N 3.3Å; V932-I938 HydrophobicContact CG2-CB 4.33Å; V932-I938 HydrophobicContact CG2-CG1 4.14Å; V932-I938 HydrophobicContact CG2-CG2 3.98Å; V932-I960 HydrophobicContact CG1-CB 3.43Å; V932-I960 VanDerWaalsContact CG1-CB 3.43Å; V932-I960 HydrophobicContact CG1-CD1 4.15Å; V932-I960 HydrophobicContact CG1-CG1 4.42Å; V932-I960 HydrophobicContact CG1-CG2 3.26Å; V932-C963 HydrophobicContact CB-CB 4.49Å; V932-C963 HydrophobicContact CG2-CB 3.75Å
933	S	90.9	Very high	89.7	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	161.7	-167.3	166.4	0	0	0	0	114.2	H913 S915 T916 D935 R936 T937	H913-S933 WeakPolarHBondContact ND1-CB 3.21Å; S915-S933 PolarHBondContact O-OG 2.96Å; T916-S933 WeakPolarHBondContact O-CA 3.46Å; T916-S933 PolarHBondContact O-OG 3.02Å; S933-D935 WeakPolarHBondContact CB-OD1 3.24Å; S933-D935 PolarHBondContact O-N 3.29Å; S933-D935 VanDerWaalsContact OG-CG 3.28Å; S933-D935 PolarHBondContact OG-N 2.98Å; S933-D935 PolarHBondContact OG-OD1 3.24Å; S933-R936 PolarHBondContact O-N 3.47Å; S933-R936 VanDerWaalsContact O-N 3.13Å; S933-T937 PolarHBondContact N-O 3.31Å
934	A	88.4	Confident	89.6	Confident	9 Å²	9	33.9 Å²	33.9	7%	0.074	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-19.8	164.1	0	0	0	0	0	114.3	I762 T916 R936 V959	I762-A934 HydrophobicContact CD1-CB 3.49Å; I762-A934 VanDerWaalsContact CD1-CB 3.49Å; T916-A934 PolarHBondContact O-N 3.03Å; A934-R936 PolarHBondContact O-N 3.48Å; A934-R936 VanDerWaalsContact O-N 3.15Å; A934-V959 HydrophobicContact CB-CG1 4.2Å; A934-V959 HydrophobicContact CB-CG2 3.98Å
935	D	88.5	Confident	89.8	Confident	30 Å²	30	34 Å²	34	16%	0.16	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-3.5	171.7	75.7	9.9	0	0	0	113.7	H913 S914 S933 T937	H913-D935 WeakPolarHBondContact CA-OD2 3.11Å; H913-D935 VanDerWaalsContact CB-OD2 3.24Å; H913-D935 WeakPolarHBondContact CB-OD2 3.27Å; H913-D935 IonicContact CE1-OD1 3.81Å; H913-D935 IonicContact CG-OD2 3.35Å; H913-D935 IonicContact ND1-OD1 3.07Å; H913-D935 PolarHBondContact ND1-OD1 3.37Å; H913-D935 IonicContact ND1-OD2 2.69Å; H913-D935 PolarHBondContact ND1-OD2 2.96Å; S914-D935 PolarHBondContact N-OD2 3.25Å; S914-D935 WeakPolarHBondContact OG-CB 3.39Å; S933-D935 WeakPolarHBondContact CB-OD1 3.24Å; S933-D935 PolarHBondContact O-N 3.29Å; S933-D935 VanDerWaalsContact OG-CG 3.28Å; S933-D935 PolarHBondContact OG-N 2.98Å; S933-D935 PolarHBondContact OG-OD1 3.24Å; D935-T937 VanDerWaalsContact CG-OG1 3.27Å; D935-T937 PolarHBondContact O-N 3.22Å; D935-T937 WeakPolarHBondContact OD1-CA 3.42Å; D935-T937 VanDerWaalsContact OD1-CB 3.3Å; D935-T937 WeakPolarHBondContact OD1-CB 3.39Å; D935-T937 PolarHBondContact OD1-N 3.34Å; D935-T937 PolarHBondContact OD1-OG1 2.83Å; D935-T937 PolarHBondContact OD2-OG1 2.54Å
936	R	89.6	Confident	90	Very high	103 Å²	103	36.6 Å²	36.6	39%	0.389	18%	0.175	S	C	.	.	S	Bend	trans	66	18	179.8	-40.3	-179.3	-163	160.5	0.3	114.1	S933 A934 S954 H956 S957	S933-R936 PolarHBondContact O-N 3.47Å; S933-R936 VanDerWaalsContact O-N 3.13Å; A934-R936 PolarHBondContact O-N 3.48Å; A934-R936 VanDerWaalsContact O-N 3.15Å; R936-S954 VanDerWaalsContact O-CB 3.26Å; R936-S954 WeakPolarHBondContact O-CB 3.35Å; R936-S954 PolarHBondContact O-N 3.28Å; R936-S954 PolarHBondContact O-OG 3.21Å; R936-H956 WeakPolarHBondContact CD-O 3.43Å; R936-S957 PolarHBondContact NH1-O 2.9Å
937	T	90.5	Very high	90.1	Very high	18 Å²	18	43.1 Å²	43.1	11%	0.11	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	152.4	168.9	74.2	0	0	0	0	111.2	H913 S933 D935 K939 I952	H913-T937 PolarHBondContact CE1-OG1 2.9Å; H913-T937 PolarHBondContact ND1-OG1 3.43Å; S933-T937 PolarHBondContact N-O 3.31Å; D935-T937 VanDerWaalsContact CG-OG1 3.27Å; D935-T937 PolarHBondContact O-N 3.22Å; D935-T937 WeakPolarHBondContact OD1-CA 3.42Å; D935-T937 VanDerWaalsContact OD1-CB 3.3Å; D935-T937 WeakPolarHBondContact OD1-CB 3.39Å; D935-T937 PolarHBondContact OD1-N 3.34Å; D935-T937 PolarHBondContact OD1-OG1 2.83Å; D935-T937 PolarHBondContact OD2-OG1 2.54Å; T937-K939 WeakPolarHBondContact OG1-CE 3.38Å; T937-I952 WeakPolarHBondContact CA-O 3.35Å
938	I	91.9	Very high	90	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.7	171.7	-55.4	158.9	0	0	0	105	V932 I952 I960 L972 T974 W984	V932-I938 HydrophobicContact CG2-CB 4.33Å; V932-I938 HydrophobicContact CG2-CG1 4.14Å; V932-I938 HydrophobicContact CG2-CG2 3.98Å; I938-I952 HydrophobicContact CB-CB 4.27Å; I938-I952 PolarHBondContact N-O 2.6Å; I938-I952 PolarHBondContact O-N 2.61Å; I938-I960 HydrophobicContact CD1-CD1 4.32Å; I938-I960 HydrophobicContact CG1-CD1 3.66Å; I938-L972 HydrophobicContact CG2-CD2 3.63Å; I938-T974 HydrophobicContact CD1-CG2 3.62Å; I938-T974 HydrophobicContact CG1-CG2 4.06Å; I938-W984 HydrophobicContact CD1-CD2 4.33Å; I938-W984 HydrophobicContact CD1-CZ2 3.88Å
939	K	91.9	Very high	89.8	Confident	36 Å²	36	41.3 Å²	41.3	16%	0.157	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.9	179.5	-65.9	179.7	-171.3	179.4	0	109.8	H912 A930 S931 T937 T948 M950	H912-K939 VanDerWaalsContact O-CD 3.31Å; H912-K939 WeakPolarHBondContact O-CD 3.27Å; H912-K939 PolarHBondContact O-NZ 2.81Å; A930-K939 WeakPolarHBondContact CA-O 3.47Å; S931-K939 PolarHBondContact N-O 3.18Å; S931-K939 PolarHBondContact O-N 2.61Å; S931-K939 WeakPolarHBondContact OG-CB 3.36Å; S931-K939 PolarHBondContact OG-O 2.97Å; T937-K939 WeakPolarHBondContact OG1-CE 3.38Å; K939-T948 HydrophobicContact CB-CG2 4.5Å; K939-T948 HydrophobicContact CD-CG2 4.38Å; K939-M950 WeakPolarHBondContact CA-O 3.46Å
940	L	91.9	Very high	89.4	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	115.3	167.6	-55.1	-173.6	0	0	0	107.5	V929 A930 T948 T949 M950 F965 L986	V929-L940 WeakPolarHBondContact O-CA 3.26Å; A930-L940 HydrophobicContact CB-CD2 3.62Å; L940-T948 CarbonylContact O-C 3.39Å; L940-T948 WeakPolarHBondContact O-CA 3.25Å; L940-T949 PolarHBondContact O-N 3.47Å; L940-T949 PolarHBondContact O-OG1 3.23Å; L940-M950 HydrophobicContact CB-CB 4.17Å; L940-M950 HydrophobicContact CD1-CB 4.35Å; L940-M950 HydrophobicContact CD1-CE 3.76Å; L940-M950 HydrophobicContact CD1-SD 4.14Å; L940-M950 HydrophobicContact CG-CB 4.29Å; L940-M950 HydrophobicContact CG-CE 4.49Å; L940-M950 PolarHBondContact N-O 2.83Å; L940-M950 PolarHBondContact O-N 2.86Å; L940-F965 HydrophobicContact CD2-CZ 4.14Å; L940-L986 HydrophobicContact CD1-CD1 3.94Å; L940-L986 HydrophobicContact CD1-CD2 4.24Å
941	W	92.3	Very high	89.1	Confident	8 Å²	8	45.8 Å²	45.8	3%	0.03	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.3	172.7	-177.3	86.6	0	0	0	109.7	V897 H907 I909 R928 V929 L943 K946	V897-W941 HydrophobicContact CG2-CH2 3.91Å; V897-W941 HydrophobicContact CG2-CZ3 3.63Å; H907-W941 HydrophobicContact CB-CH2 4.35Å; H907-W941 AromaticContact CD2-CH2 3.91Å; I909-W941 HydrophobicContact CD1-CD2 3.47Å; I909-W941 VanDerWaalsContact CD1-CD2 3.47Å; I909-W941 HydrophobicContact CD1-CE3 3.82Å; I909-W941 HydrophobicContact CD1-CG 3.96Å; I909-W941 HydrophobicContact CD1-CH2 3.96Å; I909-W941 HydrophobicContact CD1-CZ2 3.62Å; I909-W941 HydrophobicContact CD1-CZ3 4.03Å; I909-W941 HydrophobicContact CG1-CZ2 4.06Å; R928-W941 CarbonylContact C-O 3.5Å; R928-W941 VanDerWaalsContact CA-O 3.28Å; R928-W941 WeakPolarHBondContact CA-O 3.45Å; V929-W941 HydrophobicContact CB-CE3 4.29Å; V929-W941 HydrophobicContact CG2-CE3 4.09Å; V929-W941 HydrophobicContact CG2-CZ3 4.47Å; V929-W941 PolarHBondContact N-O 3.12Å; V929-W941 PolarHBondContact O-N 2.98Å; W941-L943 HydrophobicContact CE3-CG 4.25Å; W941-L943 HydrophobicContact CH2-CD2 4.11Å; W941-L943 HydrophobicContact CH2-CG 4.43Å; W941-L943 HydrophobicContact CZ3-CB 4.3Å; W941-L943 HydrophobicContact CZ3-CD2 3.52Å; W941-L943 HydrophobicContact CZ3-CG 3.61Å; W941-K946 HydrophobicContact CZ2-CB 4Å; W941-K946 HydrophobicContact CZ2-CG 4.27Å; W941-K946 PolarHBondContact NE1-O 2.84Å; W941-K946 VanDerWaalsContact NE1-O 3.1Å
942	D	91.4	Very high	88.8	Confident	31 Å²	31	46.2 Å²	46.2	17%	0.166	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	126.2	-176	175.4	-26	0	0	0	109.9	Q944 A945 K946 R947 T949	D942-Q944 WeakPolarHBondContact OD1-CA 3.49Å; D942-Q944 PolarHBondContact OD1-N 2.98Å; D942-A945 HydrophobicContact CB-CB 4.15Å; D942-A945 PolarHBondContact OD1-N 3.32Å; D942-A945 WeakPolarHBondContact OD2-CB 3.33Å; D942-K946 WeakPolarHBondContact O-CA 3.32Å; D942-K946 PolarHBondContact O-N 2.95Å; D942-R947 PolarHBondContact N-O 3.01Å; D942-T949 HydrophobicContact CB-CG2 3.48Å; D942-T949 VanDerWaalsContact CB-CG2 3.48Å; D942-T949 WeakPolarHBondContact OD2-CG2 3.31Å
943	L	88.9	Confident	88.2	Confident	24 Å²	24	50.7 Å²	50.7	13%	0.126	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-31.7	-177.3	-83.3	148.3	0	0	0	113.3	L884 V897 F922 D926 Q927 V929 W941 K946	L884-L943 HydrophobicContact CD1-CD1 4.36Å; L884-L943 HydrophobicContact CD1-CD2 4.05Å; V897-L943 HydrophobicContact CG1-CD2 3.83Å; V897-L943 HydrophobicContact CG2-CD2 4.41Å; F922-L943 HydrophobicContact CD1-CD1 4.19Å; F922-L943 HydrophobicContact CE1-CD1 3.83Å; D926-L943 WeakPolarHBondContact O-CD1 3.47Å; Q927-L943 PolarHBondContact O-N 2.96Å; V929-L943 HydrophobicContact CG2-CD1 3.91Å; V929-L943 HydrophobicContact CG2-CG 4.21Å; W941-L943 HydrophobicContact CE3-CG 4.25Å; W941-L943 HydrophobicContact CH2-CD2 4.11Å; W941-L943 HydrophobicContact CH2-CG 4.43Å; W941-L943 HydrophobicContact CZ3-CB 4.3Å; W941-L943 HydrophobicContact CZ3-CD2 3.52Å; W941-L943 HydrophobicContact CZ3-CG 3.61Å; L943-K946 WeakPolarHBondContact O-CG 3.4Å
944	Q	88.1	Confident	87.1	Confident	156 Å²	156	51.4 Å²	51.4	73%	0.729	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-50	-180	-60.4	-172.5	5.8	0	0	110.9	D942 K946	D942-Q944 WeakPolarHBondContact OD1-CA 3.49Å; D942-Q944 PolarHBondContact OD1-N 2.98Å; Q944-K946 VanDerWaalsContact C-N 3.27Å; Q944-K946 PolarHBondContact O-N 3.1Å
945	A	87.3	Confident	86.1	Confident	44 Å²	44	56.4 Å²	56.4	36%	0.364	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-8.2	179.5	0	0	0	0	0	113.7	D942 R947	D942-A945 HydrophobicContact CB-CB 4.15Å; D942-A945 PolarHBondContact OD1-N 3.32Å; D942-A945 WeakPolarHBondContact OD2-CB 3.33Å; A945-R947 HydrophobicContact CB-CG 3.9Å; A945-R947 WeakPolarHBondContact O-CG 3.46Å; A945-R947 PolarHBondContact O-N 2.8Å; A945-R947 VanDerWaalsContact O-N 3.11Å
946	K	87	Confident	85.9	Confident	118 Å²	118	55.2 Å²	55.2	51%	0.513	29%	0.286	S	S	.	.			trans	53.6	28.7	176.2	-59.2	-177.3	-171.8	-171.6	0	114.8	H907 W941 D942 L943 Q944	H907-K946 PolarHBondContact CE1-NZ 2.98Å; H907-K946 VanDerWaalsContact CE1-NZ 3.26Å; H907-K946 VanDerWaalsContact NE2-CE 3.28Å; H907-K946 WeakPolarHBondContact NE2-CE 3.44Å; H907-K946 PolarHBondContact NE2-NZ 3.46Å; H907-K946 VanDerWaalsContact NE2-NZ 3.14Å; W941-K946 HydrophobicContact CZ2-CB 4Å; W941-K946 HydrophobicContact CZ2-CG 4.27Å; W941-K946 PolarHBondContact NE1-O 2.84Å; W941-K946 VanDerWaalsContact NE1-O 3.1Å; D942-K946 WeakPolarHBondContact O-CA 3.32Å; D942-K946 PolarHBondContact O-N 2.95Å; L943-K946 WeakPolarHBondContact O-CG 3.4Å; Q944-K946 VanDerWaalsContact C-N 3.27Å; Q944-K946 PolarHBondContact O-N 3.1Å
947	R	86.6	Confident	85.7	Confident	161 Å²	161	54.3 Å²	54.3	61%	0.608	30%	0.295	S	S	*	.	S	Bend	trans	-137.8	158.8	-173.7	67.2	-173.7	178.6	170.8	-2	111.5	D942 A945 T949	D942-R947 PolarHBondContact N-O 3.01Å; A945-R947 HydrophobicContact CB-CG 3.9Å; A945-R947 WeakPolarHBondContact O-CG 3.46Å; A945-R947 PolarHBondContact O-N 2.8Å; A945-R947 VanDerWaalsContact O-N 3.11Å; R947-T949 HydrophobicContact CG-CG2 4.37Å; R947-T949 PolarHBondContact O-N 2.87Å; R947-T949 VanDerWaalsContact O-N 3.09Å
948	T	86.8	Confident	85.7	Confident	71 Å²	71	55.6 Å²	55.6	44%	0.436	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	107.7	164.1	47	0	0	0	0	109.2	H912 K939 L940	H912-T948 VanDerWaalsContact CE1-CG2 3.45Å; H912-T948 WeakPolarHBondContact CE1-CG2 3.37Å; K939-T948 HydrophobicContact CB-CG2 4.5Å; K939-T948 HydrophobicContact CD-CG2 4.38Å; L940-T948 CarbonylContact O-C 3.39Å; L940-T948 WeakPolarHBondContact O-CA 3.25Å
949	T	84.9	Confident	85.6	Confident	55 Å²	55	55.6 Å²	55.6	34%	0.337	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-29.1	173.6	41.2	0	0	0	0	111.7	L940 D942 R947	L940-T949 PolarHBondContact O-N 3.47Å; L940-T949 PolarHBondContact O-OG1 3.23Å; D942-T949 HydrophobicContact CB-CG2 3.48Å; D942-T949 VanDerWaalsContact CB-CG2 3.48Å; D942-T949 WeakPolarHBondContact OD2-CG2 3.31Å; R947-T949 HydrophobicContact CG-CG2 4.37Å; R947-T949 PolarHBondContact O-N 2.87Å; R947-T949 VanDerWaalsContact O-N 3.09Å
950	M	84.2	Confident	85.5	Confident	30 Å²	30	53.9 Å²	53.9	15%	0.148	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	141.1	173.1	-71.1	174.2	30.4	0	0	111.3	K939 L940 I952 L986 F991	K939-M950 WeakPolarHBondContact CA-O 3.46Å; L940-M950 HydrophobicContact CB-CB 4.17Å; L940-M950 HydrophobicContact CD1-CB 4.35Å; L940-M950 HydrophobicContact CD1-CE 3.76Å; L940-M950 HydrophobicContact CD1-SD 4.14Å; L940-M950 HydrophobicContact CG-CB 4.29Å; L940-M950 HydrophobicContact CG-CE 4.49Å; L940-M950 PolarHBondContact N-O 2.83Å; L940-M950 PolarHBondContact O-N 2.86Å; M950-I952 HydrophobicContact CE-CD1 3.94Å; M950-I952 HydrophobicContact CE-CG1 4.25Å; M950-L986 HydrophobicContact CE-CD2 3.84Å; M950-F991 HydrophobicContact CE-CD1 4.34Å; M950-F991 HydrophobicContact CE-CE1 3.51Å; M950-F991 HydrophobicContact CE-CE2 3.82Å; M950-F991 HydrophobicContact CE-CZ 3.2Å; M950-F991 HydrophobicContact SD-CE1 4.22Å; M950-F991 HydrophobicContact SD-CZ 3.82Å
951	S	87.6	Confident	85.3	Confident	66 Å²	66	53.9 Å²	53.9	46%	0.462	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	112.9	165.9	-178.2	0	0	0	0	107.4
952	I	84.4	Confident	85.2	Confident	9 Å²	9	53.5 Å²	53.5	5%	0.046	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	104.6	176	-51.7	177.6	0	0	0	106.7	T937 I938 M950 S954 W984 L986 F991	T937-I952 WeakPolarHBondContact CA-O 3.35Å; I938-I952 HydrophobicContact CB-CB 4.27Å; I938-I952 PolarHBondContact N-O 2.6Å; I938-I952 PolarHBondContact O-N 2.61Å; M950-I952 HydrophobicContact CE-CD1 3.94Å; M950-I952 HydrophobicContact CE-CG1 4.25Å; I952-S954 PolarHBondContact O-N 3.27Å; I952-S954 VanDerWaalsContact O-N 3.1Å; I952-W984 HydrophobicContact CG2-CE3 4.03Å; I952-W984 HydrophobicContact CG2-CH2 3.99Å; I952-W984 HydrophobicContact CG2-CZ3 3.58Å; I952-L986 HydrophobicContact CD1-CD2 4.13Å; I952-F991 HydrophobicContact CD1-CB 4.34Å; I952-F991 HydrophobicContact CD1-CD2 3.67Å; I952-F991 HydrophobicContact CD1-CE2 4.04Å; I952-F991 HydrophobicContact CD1-CG 3.99Å; I952-F991 HydrophobicContact CG1-CD2 3.71Å; I952-F991 HydrophobicContact CG1-CE2 3.82Å; I952-F991 HydrophobicContact CG2-CD2 4.33Å
953	C	78.6	Confident	85.2	Confident	94 Å²	94	52 Å²	52	64%	0.635	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	107.1	163.3	-61	0	0	0	0	106.7
954	S	68.6	Low	85.2	Confident	14 Å²	14	51.3 Å²	51.3	10%	0.098	28%	0.281	C	S	.	.			trans	-77.9	147.4	-168.9	81.7	0	0	0	0	111.1	R936 I952 H956 I960	R936-S954 VanDerWaalsContact O-CB 3.26Å; R936-S954 WeakPolarHBondContact O-CB 3.35Å; R936-S954 PolarHBondContact O-N 3.28Å; R936-S954 PolarHBondContact O-OG 3.21Å; I952-S954 PolarHBondContact O-N 3.27Å; I952-S954 VanDerWaalsContact O-N 3.1Å; S954-H956 PolarHBondContact O-N 2.87Å; S954-H956 WeakPolarHBondContact OG-CB 3.29Å; S954-H956 PolarHBondContact OG-CD2 2.96Å; S954-H956 PolarHBondContact OG-N 2.79Å; S954-I960 WeakPolarHBondContact OG-CD1 3.32Å
955	N	66.6	Low	85.3	Confident	114 Å²	114	44.8 Å²	44.8	61%	0.61	25%	0.251	S	S	*	.			trans	-74	24.4	170.3	-67.2	-12	0	0	0	112.3	K982	N955-K982 PolarHBondContact O-NZ 3.38Å
956	H	84.3	Confident	85.4	Confident	6 Å²	6	43 Å²	43	3%	0.028	24%	0.235	C	C	.	.			trans	-82	132.6	172.1	-73.9	-72.4	0	0	0	110.6	R936 S954 N958 I960 T974 S976 D978 T980 K982	R936-H956 WeakPolarHBondContact CD-O 3.43Å; S954-H956 PolarHBondContact O-N 2.87Å; S954-H956 WeakPolarHBondContact OG-CB 3.29Å; S954-H956 PolarHBondContact OG-CD2 2.96Å; S954-H956 PolarHBondContact OG-N 2.79Å; H956-N958 PolarHBondContact O-N 3Å; H956-I960 HydrophobicContact CB-CG1 4.26Å; H956-T974 PolarHBondContact NE2-OG1 3.16Å; H956-S976 WeakPolarHBondContact ND1-CB 3.28Å; H956-D978 WeakPolarHBondContact CA-OD2 3.46Å; H956-D978 WeakPolarHBondContact CB-OD2 3.4Å; H956-D978 IonicContact CE1-OD1 2.7Å; H956-D978 IonicContact CE1-OD2 3.84Å; H956-D978 IonicContact CG-OD2 3Å; H956-D978 IonicContact ND1-OD1 2.74Å; H956-D978 PolarHBondContact ND1-OD1 2.57Å; H956-D978 IonicContact ND1-OD2 3.7Å; H956-D978 PolarHBondContact ND1-OD2 2.83Å; H956-T980 PolarHBondContact CE1-OG1 2.97Å; H956-T980 PolarHBondContact ND1-OG1 2.74Å; H956-K982 PolarHBondContact ND1-NZ 2.75Å; H956-K982 VanDerWaalsContact ND1-NZ 3.12Å
957	S	86.9	Confident	85.1	Confident	84 Å²	84	39.2 Å²	39.2	59%	0.587	23%	0.229	S	C	*	.	S	Bend	trans	-79.6	-8.2	-177.9	68.1	0	0	0	0	113.4	R936 D978	R936-S957 PolarHBondContact NH1-O 2.9Å; S957-D978 PolarHBondContact N-OD2 2.92Å; S957-D978 WeakPolarHBondContact OG-CB 3.41Å
958	N	89.1	Confident	84.9	Confident	45 Å²	45	34.9 Å²	34.9	24%	0.241	22%	0.218	C	C	.	.	S	Bend	trans	-145.3	173.7	-176.3	-157.7	-0.5	0	0	0	111.3	H956 I960 S976 W977 D978	H956-N958 PolarHBondContact O-N 3Å; N958-I960 PolarHBondContact O-N 2.79Å; N958-S976 PolarHBondContact O-OG 3.06Å; N958-S976 VanDerWaalsContact O-OG 3.07Å; N958-W977 HydrophobicContact CB-CB 4.2Å; N958-W977 VanDerWaalsContact ND2-CB 3.33Å; N958-W977 WeakPolarHBondContact ND2-CB 3.17Å; N958-W977 PolarHBondContact ND2-O 2.84Å; N958-D978 HydrophobicContact CB-CB 4.12Å
959	V	89.3	Confident	84.8	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.006	20%	0.198	C	C	.	.			trans	-40.1	125.6	174.9	171.4	0	0	0	0	111.8	I758 I762 T918 A934 S976 W977	I758-V959 HydrophobicContact CG2-CG2 3.78Å; I762-V959 HydrophobicContact CD1-CG2 4.41Å; T918-V959 HydrophobicContact CG2-CG1 4.13Å; A934-V959 HydrophobicContact CB-CG1 4.2Å; A934-V959 HydrophobicContact CB-CG2 3.98Å; V959-S976 WeakPolarHBondContact O-CA 3.2Å; V959-S976 PolarHBondContact O-OG 3.03Å; V959-W977 HydrophobicContact CB-CD2 4.02Å; V959-W977 HydrophobicContact CB-CE3 3.72Å; V959-W977 HydrophobicContact CB-CG 4.44Å; V959-W977 HydrophobicContact CB-CZ3 4.14Å; V959-W977 HydrophobicContact CG1-CD2 4.17Å; V959-W977 HydrophobicContact CG1-CE3 4.14Å; V959-W977 HydrophobicContact CG1-CH2 4.45Å; V959-W977 HydrophobicContact CG1-CZ3 4.28Å; V959-W977 HydrophobicContact CG2-CE3 4.02Å; V959-W977 HydrophobicContact CG2-CZ3 4.09Å; V959-W977 PolarHBondContact O-N 3.09Å
960	I	90.8	Very high	84.8	Confident	0 Å²	0	32 Å²	32	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	128.5	170.1	-46.2	170.3	0	0	0	107.2	T918 V932 I938 S954 H956 N958 T974 A975	T918-I960 WeakPolarHBondContact CB-O 3.35Å; T918-I960 PolarHBondContact OG1-O 2.81Å; V932-I960 HydrophobicContact CG1-CB 3.43Å; V932-I960 VanDerWaalsContact CG1-CB 3.43Å; V932-I960 HydrophobicContact CG1-CD1 4.15Å; V932-I960 HydrophobicContact CG1-CG1 4.42Å; V932-I960 HydrophobicContact CG1-CG2 3.26Å; I938-I960 HydrophobicContact CD1-CD1 4.32Å; I938-I960 HydrophobicContact CG1-CD1 3.66Å; S954-I960 WeakPolarHBondContact OG-CD1 3.32Å; H956-I960 HydrophobicContact CB-CG1 4.26Å; N958-I960 PolarHBondContact O-N 2.79Å; I960-T974 HydrophobicContact CG2-CG2 4.35Å; I960-A975 CarbonylContact C-O 3.54Å; I960-A975 WeakPolarHBondContact CG2-O 3.41Å
961	S	88.6	Confident	85	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-35.5	-171.4	60.8	0	0	0	0	113	R765 A975 V1007	R765-S961 VanDerWaalsContact CZ-O 3.24Å; R765-S961 PolarHBondContact NH1-O 2.79Å; R765-S961 PolarHBondContact NH2-O 2.87Å; S961-A975 PolarHBondContact N-O 3.37Å; S961-A975 WeakPolarHBondContact OG-CB 3.15Å; S961-A975 PolarHBondContact OG-O 3.26Å; S961-V1007 VanDerWaalsContact CB-O 3.31Å; S961-V1007 WeakPolarHBondContact CB-O 3.37Å; S961-V1007 PolarHBondContact OG-O 3.05Å
962	S	89.2	Confident	85.1	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	155.2	-172.7	-172	0	0	0	0	112	R919 T974 A975 C1010	R919-S962 VanDerWaalsContact CD-OG 3.22Å; R919-S962 WeakPolarHBondContact CD-OG 3.36Å; R919-S962 PolarHBondContact NH1-OG 3.48Å; S962-T974 WeakPolarHBondContact O-CA 3.25Å; S962-A975 PolarHBondContact N-O 3.36Å; S962-A975 PolarHBondContact O-N 3.22Å; S962-C1010 PolarHBondContact OG-N 2.84Å
963	C	91.4	Very high	85.4	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	151.7	168.7	54.2	0	0	0	0	111.2	V932 L972 C973 T974	V932-C963 HydrophobicContact CB-CB 4.49Å; V932-C963 HydrophobicContact CG2-CB 3.75Å; C963-L972 HydrophobicContact CB-CD1 4.27Å; C963-C973 WeakPolarHBondContact CA-O 3.21Å; C963-T974 HydrophobicContact CB-CG2 4.33Å
964	C	89.9	Confident	86	Confident	9 Å²	9	26.3 Å²	26.3	6%	0.061	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	144.7	165.9	53	0	0	0	0	109.7	C973 C1010 L1012	C964-C973 PolarHBondContact N-O 3.25Å; C964-C973 PolarHBondContact O-N 2.9Å; C964-C1010 VanDerWaalsContact SG-C 3.59Å; C964-C1010 VanDerWaalsContact SG-SG 3.67Å; C964-L1012 PolarHBondContact SG-N 3.01Å
965	F	90.3	Very high	87.1	Confident	20 Å²	20	25.7 Å²	25.7	9%	0.088	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	154	172.1	-74.7	-89.8	0	0	0	110.6	R921 F922 D923 P924 A930 L940 L972 L986	R921-F965 HydrophobicContact CB-CD2 4.31Å; R921-F965 HydrophobicContact CB-CE2 4.44Å; F922-F965 WeakPolarHBondContact O-CD2 3.29Å; F922-F965 WeakPolarHBondContact O-CE2 3.4Å; D923-F965 HydrophobicContact CB-CE1 3.96Å; D923-F965 HydrophobicContact CB-CE2 4.02Å; D923-F965 HydrophobicContact CB-CZ 3.64Å; D923-F965 WeakPolarHBondContact OD1-CE1 3.35Å; P924-F965 HydrophobicContact CG-CB 4.27Å; A930-F965 HydrophobicContact CB-CD2 4.48Å; A930-F965 HydrophobicContact CB-CE2 3.4Å; A930-F965 HydrophobicContact CB-CZ 3.52Å; L940-F965 HydrophobicContact CD2-CZ 4.14Å; F965-L972 HydrophobicContact CD1-CB 4.32Å; F965-L972 HydrophobicContact CD1-CD1 3.87Å; F965-L972 HydrophobicContact CD2-CD1 3.94Å; F965-L972 HydrophobicContact CE1-CB 4.47Å; F965-L972 HydrophobicContact CE1-CD1 3.93Å; F965-L972 HydrophobicContact CE2-CD1 4Å; F965-L972 HydrophobicContact CG-CD1 3.91Å; F965-L972 HydrophobicContact CZ-CD1 4.01Å; F965-L986 HydrophobicContact CD1-CD1 4.37Å; F965-L986 HydrophobicContact CE1-CD1 3.75Å
966	N	88.1	Confident	88.2	Confident	6 Å²	6	20.2 Å²	20.2	3%	0.032	12%	0.118	C	C	.	.			trans	-72.3	152.6	157.1	-177.6	41.1	0	0	0	110	P924 N968 G969 F971 L1012 S1013 A1014 A1016	P924-N966 WeakPolarHBondContact CG-O 3.07Å; N966-N968 PolarHBondContact ND2-ND2 3.31Å; N966-N968 PolarHBondContact ND2-OD1 2.69Å; N966-N968 PolarHBondContact O-N 3.1Å; N966-G969 PolarHBondContact O-N 2.96Å; N966-F971 HydrophobicContact CB-CB 3.98Å; N966-F971 PolarHBondContact N-O 2.71Å; N966-L1012 HydrophobicContact CB-CD1 4.26Å; N966-S1013 PolarHBondContact OD1-O 3.06Å; N966-A1014 PolarHBondContact OD1-O 3.09Å; N966-A1014 VanDerWaalsContact OD1-O 3.1Å; N966-A1016 WeakPolarHBondContact OD1-CA 3.27Å; N966-A1016 VanDerWaalsContact OD1-CB 3.23Å; N966-A1016 WeakPolarHBondContact OD1-CB 3.26Å; N966-A1016 PolarHBondContact OD1-N 3.1Å
967	G	81.8	Confident	88.5	Confident	38 Å²	38	21.2 Å²	21.2	39%	0.392	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-12.6	-174.5	0	0	0	0	0	116.4	P924 A1014	P924-G967 WeakPolarHBondContact CB-O 3.16Å; G967-A1014 WeakPolarHBondContact CA-O 3.46Å; G967-A1014 PolarHBondContact N-O 3.42Å
968	N	82.3	Confident	88.6	Confident	70 Å²	70	18.5 Å²	18.5	37%	0.374	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-2.6	171.5	69.6	3.4	0	0	0	114.7	N966 H970	N966-N968 PolarHBondContact ND2-ND2 3.31Å; N966-N968 PolarHBondContact ND2-OD1 2.69Å; N966-N968 PolarHBondContact O-N 3.1Å; N968-H970 PolarHBondContact ND2-CD2 2.88Å; N968-H970 PolarHBondContact O-CE1 3.02Å; N968-H970 VanDerWaalsContact O-CE1 3.31Å; N968-H970 PolarHBondContact O-N 2.79Å; N968-H970 VanDerWaalsContact O-N 3.1Å; N968-H970 PolarHBondContact O-ND1 3.26Å; N968-H970 WeakPolarHBondContact OD1-CB 3.39Å; N968-H970 PolarHBondContact OD1-N 2.87Å
969	G	83.4	Confident	88.6	Confident	1 Å²	1	21 Å²	21	1%	0.01	11%	0.109	C	C	.	.	S	Bend	trans	68.6	0.4	-176.8	0	0	0	0	0	115.8	D923 N966	D923-G969 WeakPolarHBondContact OD1-CA 3.18Å; N966-G969 PolarHBondContact O-N 2.96Å
970	H	85.7	Confident	88.6	Confident	66 Å²	66	22.3 Å²	22.3	31%	0.306	12%	0.117	S	C	.	.	S	Bend	trans	-79.5	-31.4	-178.2	-58.9	0.5	0	0	0	112	N968 L986 Q987	N968-H970 PolarHBondContact ND2-CD2 2.88Å; N968-H970 PolarHBondContact O-CE1 3.02Å; N968-H970 VanDerWaalsContact O-CE1 3.31Å; N968-H970 PolarHBondContact O-N 2.79Å; N968-H970 VanDerWaalsContact O-N 3.1Å; N968-H970 PolarHBondContact O-ND1 3.26Å; N968-H970 WeakPolarHBondContact OD1-CB 3.39Å; N968-H970 PolarHBondContact OD1-N 2.87Å; H970-L986 WeakPolarHBondContact O-CB 3.2Å; H970-L986 PolarHBondContact O-N 3.14Å; H970-Q987 HydrophobicContact CB-CB 4.21Å; H970-Q987 PolarHBondContact CD2-OE1 3.11Å
971	F	87.7	Confident	88.6	Confident	79 Å²	79	22.4 Å²	22.4	35%	0.346	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	135.7	176.3	-61.7	-76.1	0	0	0	111.7	N966 L983 W984 D985	N966-F971 HydrophobicContact CB-CB 3.98Å; N966-F971 PolarHBondContact N-O 2.71Å; F971-L983 HydrophobicContact CB-CD1 4.08Å; F971-L983 HydrophobicContact CB-CG 4.42Å; F971-L983 HydrophobicContact CD1-CD2 4.1Å; F971-L983 HydrophobicContact CD1-CG 4.18Å; F971-W984 WeakPolarHBondContact CA-O 3.39Å; F971-D985 HydrophobicContact CD1-CB 4.17Å; F971-D985 HydrophobicContact CE1-CB 3.92Å
972	L	90.1	Very high	88.7	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.5	171	178.3	75.8	0	0	0	108.5	A930 I938 C963 F965 T974 W984 L986	A930-L972 HydrophobicContact CB-CD1 4.13Å; I938-L972 HydrophobicContact CG2-CD2 3.63Å; C963-L972 HydrophobicContact CB-CD1 4.27Å; F965-L972 HydrophobicContact CD1-CB 4.32Å; F965-L972 HydrophobicContact CD1-CD1 3.87Å; F965-L972 HydrophobicContact CD2-CD1 3.94Å; F965-L972 HydrophobicContact CE1-CB 4.47Å; F965-L972 HydrophobicContact CE1-CD1 3.93Å; F965-L972 HydrophobicContact CE2-CD1 4Å; F965-L972 HydrophobicContact CG-CD1 3.91Å; F965-L972 HydrophobicContact CZ-CD1 4.01Å; L972-T974 HydrophobicContact CD2-CG2 4.45Å; L972-T974 HydrophobicContact CG-CG2 4.49Å; L972-W984 HydrophobicContact CB-CB 4.39Å; L972-W984 PolarHBondContact N-O 3.1Å; L972-W984 PolarHBondContact O-N 2.96Å; L972-L986 HydrophobicContact CB-CD1 4Å; L972-L986 HydrophobicContact CB-CD2 4.5Å; L972-L986 HydrophobicContact CB-CG 4.29Å
973	C	90.4	Very high	88.7	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	134.5	170.9	-177.2	0	0	0	0	110.8	C963 C964 K982 L983 L1012 L1019	C963-C973 WeakPolarHBondContact CA-O 3.21Å; C964-C973 PolarHBondContact N-O 3.25Å; C964-C973 PolarHBondContact O-N 2.9Å; C973-K982 CarbonylContact C-O 3.57Å; C973-K982 WeakPolarHBondContact CA-O 3.48Å; C973-L983 HydrophobicContact CB-CD1 3.96Å; C973-L1012 HydrophobicContact CB-CD1 3.81Å; C973-L1012 HydrophobicContact CB-CG 4.32Å; C973-L1019 HydrophobicContact CB-CD1 4.07Å
974	T	91.3	Very high	88.6	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.4	172.4	58.6	0	0	0	0	112.4	I938 H956 I960 S962 C963 L972 L981 K982 W984	I938-T974 HydrophobicContact CD1-CG2 3.62Å; I938-T974 HydrophobicContact CG1-CG2 4.06Å; H956-T974 PolarHBondContact NE2-OG1 3.16Å; I960-T974 HydrophobicContact CG2-CG2 4.35Å; S962-T974 WeakPolarHBondContact O-CA 3.25Å; C963-T974 HydrophobicContact CB-CG2 4.33Å; L972-T974 HydrophobicContact CD2-CG2 4.45Å; L972-T974 HydrophobicContact CG-CG2 4.49Å; T974-L981 CarbonylContact O-C 3.46Å; T974-L981 WeakPolarHBondContact O-CA 3.45Å; T974-K982 PolarHBondContact N-O 3.26Å; T974-K982 PolarHBondContact O-N 3.34Å; T974-W984 PolarHBondContact OG1-NE1 3.12Å
975	A	91.1	Very high	88.5	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	144.3	172	0	0	0	0	0	110.2	I960 S961 S962 L981 V1007 C1010	I960-A975 CarbonylContact C-O 3.54Å; I960-A975 WeakPolarHBondContact CG2-O 3.41Å; S961-A975 PolarHBondContact N-O 3.37Å; S961-A975 WeakPolarHBondContact OG-CB 3.15Å; S961-A975 PolarHBondContact OG-O 3.26Å; S962-A975 PolarHBondContact N-O 3.36Å; S962-A975 PolarHBondContact O-N 3.22Å; A975-L981 HydrophobicContact CB-CD2 3.74Å; A975-V1007 HydrophobicContact CB-CB 3.97Å; A975-V1007 HydrophobicContact CB-CG1 3.64Å; A975-C1010 HydrophobicContact CB-CB 4.04Å
976	S	91.5	Very high	88.2	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	158.8	177.9	172.8	0	0	0	0	113.2	H956 N958 V959 D978 K979 T980 V1007	H956-S976 WeakPolarHBondContact ND1-CB 3.28Å; N958-S976 PolarHBondContact O-OG 3.06Å; N958-S976 VanDerWaalsContact O-OG 3.07Å; V959-S976 WeakPolarHBondContact O-CA 3.2Å; V959-S976 PolarHBondContact O-OG 3.03Å; S976-D978 VanDerWaalsContact CB-OD1 3.28Å; S976-D978 WeakPolarHBondContact CB-OD1 3.46Å; S976-D978 PolarHBondContact O-N 3.05Å; S976-D978 PolarHBondContact OG-N 3.34Å; S976-D978 PolarHBondContact OG-OD1 3.49Å; S976-K979 PolarHBondContact O-N 3.1Å; S976-T980 PolarHBondContact N-O 2.7Å; S976-T980 VanDerWaalsContact N-O 3.11Å; S976-V1007 PolarHBondContact O-N 3.35Å
977	W	90.1	Very high	87.8	Confident	27 Å²	27	31.5 Å²	31.5	10%	0.102	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	4.4	167.4	-63.4	-4.1	0	0	0	113.9	G761 I762 R765 N958 V959 K979	G761-W977 VanDerWaalsContact C-CH2 3.46Å; G761-W977 WeakPolarHBondContact O-CH2 3.4Å; I762-W977 HydrophobicContact CB-CH2 4.46Å; I762-W977 HydrophobicContact CG1-CH2 3.71Å; I762-W977 HydrophobicContact CG1-CZ3 4.19Å; R765-W977 HydrophobicContact CB-CZ2 4Å; R765-W977 HydrophobicContact CG-CZ2 4.46Å; N958-W977 HydrophobicContact CB-CB 4.2Å; N958-W977 VanDerWaalsContact ND2-CB 3.33Å; N958-W977 WeakPolarHBondContact ND2-CB 3.17Å; N958-W977 PolarHBondContact ND2-O 2.84Å; V959-W977 HydrophobicContact CB-CD2 4.02Å; V959-W977 HydrophobicContact CB-CE3 3.72Å; V959-W977 HydrophobicContact CB-CG 4.44Å; V959-W977 HydrophobicContact CB-CZ3 4.14Å; V959-W977 HydrophobicContact CG1-CD2 4.17Å; V959-W977 HydrophobicContact CG1-CE3 4.14Å; V959-W977 HydrophobicContact CG1-CH2 4.45Å; V959-W977 HydrophobicContact CG1-CZ3 4.28Å; V959-W977 HydrophobicContact CG2-CE3 4.02Å; V959-W977 HydrophobicContact CG2-CZ3 4.09Å; V959-W977 PolarHBondContact O-N 3.09Å; W977-K979 PolarHBondContact O-N 3.31Å
978	D	88.8	Confident	87.3	Confident	27 Å²	27	32.6 Å²	32.6	14%	0.144	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	7.6	161.4	73.7	2.8	0	0	0	112.8	H956 S957 N958 S976 T980 K982	H956-D978 WeakPolarHBondContact CA-OD2 3.46Å; H956-D978 WeakPolarHBondContact CB-OD2 3.4Å; H956-D978 IonicContact CE1-OD1 2.7Å; H956-D978 IonicContact CE1-OD2 3.84Å; H956-D978 IonicContact CG-OD2 3Å; H956-D978 IonicContact ND1-OD1 2.74Å; H956-D978 PolarHBondContact ND1-OD1 2.57Å; H956-D978 IonicContact ND1-OD2 3.7Å; H956-D978 PolarHBondContact ND1-OD2 2.83Å; S957-D978 PolarHBondContact N-OD2 2.92Å; S957-D978 WeakPolarHBondContact OG-CB 3.41Å; N958-D978 HydrophobicContact CB-CB 4.12Å; S976-D978 VanDerWaalsContact CB-OD1 3.28Å; S976-D978 WeakPolarHBondContact CB-OD1 3.46Å; S976-D978 PolarHBondContact O-N 3.05Å; S976-D978 PolarHBondContact OG-N 3.34Å; S976-D978 PolarHBondContact OG-OD1 3.49Å; D978-T980 VanDerWaalsContact CG-OG1 3.22Å; D978-T980 PolarHBondContact O-N 2.84Å; D978-T980 WeakPolarHBondContact OD1-CA 3.49Å; D978-T980 VanDerWaalsContact OD1-CB 3.29Å; D978-T980 WeakPolarHBondContact OD1-CB 3.4Å; D978-T980 PolarHBondContact OD1-N 3.4Å; D978-T980 PolarHBondContact OD1-OG1 2.98Å; D978-T980 PolarHBondContact OD2-OG1 2.85Å; D978-K982 IonicContact OD2-NZ 3.15Å; D978-K982 PolarHBondContact OD2-NZ 2.95Å; D978-K982 VanDerWaalsContact OD2-NZ 3.13Å
979	K	89.4	Confident	86.7	Confident	97 Å²	97	30.3 Å²	30.3	42%	0.422	17%	0.165	S	C	.	.	S	Bend	trans	71.1	-2.8	-176.3	-44	-176.2	175.9	-168.2	0	114.6	S976 W977 S1002 H1003 E1004 G1005 V1007	S976-K979 PolarHBondContact O-N 3.1Å; W977-K979 PolarHBondContact O-N 3.31Å; K979-S1002 WeakPolarHBondContact O-CB 3.39Å; K979-H1003 PolarHBondContact O-N 2.73Å; K979-E1004 VanDerWaalsContact CD-O 3.31Å; K979-E1004 WeakPolarHBondContact CD-O 3.32Å; K979-E1004 WeakPolarHBondContact CE-O 3.23Å; K979-E1004 PolarHBondContact NZ-O 2.79Å; K979-G1005 WeakPolarHBondContact CB-O 3.02Å; K979-G1005 WeakPolarHBondContact CG-O 3.15Å; K979-V1007 WeakPolarHBondContact O-CG2 3.39Å
980	T	89.5	Confident	85.9	Confident	28 Å²	28	35.1 Å²	35.1	17%	0.172	19%	0.187	C	C	.	.			trans	-95.9	153.1	-178.2	75.8	0	0	0	0	113	H956 S976 D978 K982	H956-T980 PolarHBondContact CE1-OG1 2.97Å; H956-T980 PolarHBondContact ND1-OG1 2.74Å; S976-T980 PolarHBondContact N-O 2.7Å; S976-T980 VanDerWaalsContact N-O 3.11Å; D978-T980 VanDerWaalsContact CG-OG1 3.22Å; D978-T980 PolarHBondContact O-N 2.84Å; D978-T980 WeakPolarHBondContact OD1-CA 3.49Å; D978-T980 VanDerWaalsContact OD1-CB 3.29Å; D978-T980 WeakPolarHBondContact OD1-CB 3.4Å; D978-T980 PolarHBondContact OD1-N 3.4Å; D978-T980 PolarHBondContact OD1-OG1 2.98Å; D978-T980 PolarHBondContact OD2-OG1 2.85Å; T980-K982 WeakPolarHBondContact OG1-CE 3.24Å; T980-K982 PolarHBondContact OG1-NZ 2.82Å
981	L	90.8	Very high	85.4	Confident	3 Å²	3	33.1 Å²	33.1	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	137.9	159.7	-71.2	142.6	0	0	0	107.4	T974 A975 A998 L999 V1007 C1010 S1021 W1031	T974-L981 CarbonylContact O-C 3.46Å; T974-L981 WeakPolarHBondContact O-CA 3.45Å; A975-L981 HydrophobicContact CB-CD2 3.74Å; L981-A998 WeakPolarHBondContact O-CA 3.35Å; L981-L999 HydrophobicContact CB-CD1 3.9Å; L981-L999 PolarHBondContact O-N 2.69Å; L981-V1007 HydrophobicContact CD1-CG1 4.45Å; L981-V1007 HydrophobicContact CD2-CG1 4.13Å; L981-V1007 HydrophobicContact CG-CG1 4.23Å; L981-V1007 HydrophobicContact CG-CG2 4.46Å; L981-C1010 HydrophobicContact CD2-CB 3.77Å; L981-S1021 WeakPolarHBondContact CD1-OG 3.3Å; L981-W1031 HydrophobicContact CD1-CD2 4.37Å; L981-W1031 HydrophobicContact CD1-CH2 4.37Å; L981-W1031 HydrophobicContact CD1-CZ2 3.6Å
982	K	90.2	Very high	84.5	Confident	17 Å²	17	38.6 Å²	38.6	7%	0.074	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.8	176.3	-69.2	177.5	-172.8	138.3	0	110.2	N955 H956 C973 T974 D978 T980 W984 A997 A998	N955-K982 PolarHBondContact O-NZ 3.38Å; H956-K982 PolarHBondContact ND1-NZ 2.75Å; H956-K982 VanDerWaalsContact ND1-NZ 3.12Å; C973-K982 CarbonylContact C-O 3.57Å; C973-K982 WeakPolarHBondContact CA-O 3.48Å; T974-K982 PolarHBondContact N-O 3.26Å; T974-K982 PolarHBondContact O-N 3.34Å; D978-K982 IonicContact OD2-NZ 3.15Å; D978-K982 PolarHBondContact OD2-NZ 2.95Å; D978-K982 VanDerWaalsContact OD2-NZ 3.13Å; T980-K982 WeakPolarHBondContact OG1-CE 3.24Å; T980-K982 PolarHBondContact OG1-NZ 2.82Å; K982-W984 HydrophobicContact CB-CZ2 4.27Å; K982-W984 HydrophobicContact CD-CZ2 4.3Å; K982-A997 CarbonylContact C-O 3.52Å; K982-A997 WeakPolarHBondContact CA-O 3.27Å; K982-A998 HydrophobicContact CG-CB 4.08Å
983	L	89.8	Confident	83	Confident	18 Å²	18	43 Å²	43	9%	0.094	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	131.5	172.6	-164.3	69.5	0	0	0	109	F971 C973 G996 A997 L999 P1033 L1036	F971-L983 HydrophobicContact CB-CD1 4.08Å; F971-L983 HydrophobicContact CB-CG 4.42Å; F971-L983 HydrophobicContact CD1-CD2 4.1Å; F971-L983 HydrophobicContact CD1-CG 4.18Å; C973-L983 HydrophobicContact CB-CD1 3.96Å; L983-G996 CarbonylContact O-C 3.58Å; L983-G996 WeakPolarHBondContact O-CA 3.13Å; L983-A997 PolarHBondContact N-O 3.23Å; L983-A997 PolarHBondContact O-N 3.29Å; L983-L999 HydrophobicContact CB-CD1 4.49Å; L983-P1033 HydrophobicContact CD2-CB 4.07Å; L983-L1036 HydrophobicContact CB-CD2 4.21Å; L983-L1036 HydrophobicContact CD2-CD2 4Å
984	W	88.6	Confident	81.7	Confident	3 Å²	3	48.5 Å²	48.5	1%	0.011	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	112	-177	-55.1	88.3	0	0	0	108.7	I938 I952 F971 L972 T974 K982 L986 F991 G996	I938-W984 HydrophobicContact CD1-CD2 4.33Å; I938-W984 HydrophobicContact CD1-CZ2 3.88Å; I952-W984 HydrophobicContact CG2-CE3 4.03Å; I952-W984 HydrophobicContact CG2-CH2 3.99Å; I952-W984 HydrophobicContact CG2-CZ3 3.58Å; F971-W984 WeakPolarHBondContact CA-O 3.39Å; L972-W984 HydrophobicContact CB-CB 4.39Å; L972-W984 PolarHBondContact N-O 3.1Å; L972-W984 PolarHBondContact O-N 2.96Å; T974-W984 PolarHBondContact OG1-NE1 3.12Å; K982-W984 HydrophobicContact CB-CZ2 4.27Å; K982-W984 HydrophobicContact CD-CZ2 4.3Å; W984-L986 HydrophobicContact CB-CD2 4.47Å; W984-L986 PolarHBondContact O-N 3.44Å; W984-F991 HydrophobicContact CE3-CB 3.71Å; W984-F991 HydrophobicContact CZ3-CB 4.23Å; W984-G996 VanDerWaalsContact CE3-CA 3.4Å; W984-G996 VanDerWaalsContact CE3-N 3.35Å
985	D	87.4	Confident	80.9	Confident	34 Å²	34	49 Å²	49	18%	0.182	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	115	164.8	166.7	27.7	0	0	0	109.1	F971 Q987 G988 F991	F971-D985 HydrophobicContact CD1-CB 4.17Å; F971-D985 HydrophobicContact CE1-CB 3.92Å; D985-Q987 WeakPolarHBondContact OD1-CA 3.42Å; D985-Q987 PolarHBondContact OD1-N 3.09Å; D985-G988 VanDerWaalsContact CG-N 3.32Å; D985-G988 PolarHBondContact OD1-N 2.92Å; D985-G988 WeakPolarHBondContact OD2-CA 3.39Å; D985-G988 PolarHBondContact OD2-N 2.84Å; D985-F991 WeakPolarHBondContact O-CD1 3.2Å
986	L	84.3	Confident	80.2	Confident	16 Å²	16	49.6 Å²	49.6	8%	0.084	27%	0.268	C	S	.	.	S	Bend	trans	-90.5	-17.9	177.8	-57.5	-179.5	0	0	0	112.6	L940 M950 I952 F965 H970 L972 W984	L940-L986 HydrophobicContact CD1-CD1 3.94Å; L940-L986 HydrophobicContact CD1-CD2 4.24Å; M950-L986 HydrophobicContact CE-CD2 3.84Å; I952-L986 HydrophobicContact CD1-CD2 4.13Å; F965-L986 HydrophobicContact CD1-CD1 4.37Å; F965-L986 HydrophobicContact CE1-CD1 3.75Å; H970-L986 WeakPolarHBondContact O-CB 3.2Å; H970-L986 PolarHBondContact O-N 3.14Å; L972-L986 HydrophobicContact CB-CD1 4Å; L972-L986 HydrophobicContact CB-CD2 4.5Å; L972-L986 HydrophobicContact CB-CG 4.29Å; W984-L986 HydrophobicContact CB-CD2 4.47Å; W984-L986 PolarHBondContact O-N 3.44Å
987	Q	80.2	Confident	79.8	Confident	138 Å²	138	51.7 Å²	51.7	65%	0.645	29%	0.285	S	S	*	.	S	Bend	trans	-89	-52.2	-174.9	-173.7	-176.9	29.7	0	0	111.7	H970 D985 G989	H970-Q987 HydrophobicContact CB-CB 4.21Å; H970-Q987 PolarHBondContact CD2-OE1 3.11Å; D985-Q987 WeakPolarHBondContact OD1-CA 3.42Å; D985-Q987 PolarHBondContact OD1-N 3.09Å; Q987-G989 PolarHBondContact O-N 3.41Å
988	G	70	Confident	79.4	Confident	60 Å²	60	53 Å²	53	62%	0.619	30%	0.301	S	S	*	.	S	Bend	trans	-75.1	-2.5	177.5	0	0	0	0	0	113.7	D985 Q990	D985-G988 VanDerWaalsContact CG-N 3.32Å; D985-G988 PolarHBondContact OD1-N 2.92Å; D985-G988 WeakPolarHBondContact OD2-CA 3.39Å; D985-G988 PolarHBondContact OD2-N 2.84Å; G988-Q990 PolarHBondContact O-N 3.08Å; G988-Q990 VanDerWaalsContact O-N 3.1Å
989	G	70.9	Confident	79	Confident	23 Å²	23	52.1 Å²	52.1	24%	0.237	30%	0.297	C	S	.	.			trans	68.3	6.3	177.8	0	0	0	0	0	114.4	Q987 F991 R992	Q987-G989 PolarHBondContact O-N 3.41Å; G989-F991 PolarHBondContact O-N 2.66Å; G989-R992 WeakPolarHBondContact O-CB 3.29Å; G989-R992 WeakPolarHBondContact O-CG 3.41Å; G989-R992 PolarHBondContact O-N 3.06Å
990	Q	66.9	Low	77.9	Confident	102 Å²	102	52.9 Å²	52.9	48%	0.477	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-62.7	-21.5	-168.8	-162.2	174.9	96.4	0	0	113.1	G988 R992 S993 N994	G988-Q990 PolarHBondContact O-N 3.08Å; G988-Q990 VanDerWaalsContact O-N 3.1Å; Q990-R992 PolarHBondContact O-N 3.22Å; Q990-R992 VanDerWaalsContact O-N 3.09Å; Q990-S993 PolarHBondContact O-N 3.46Å; Q990-S993 PolarHBondContact O-OG 3.48Å; Q990-N994 HydrophobicContact CG-CB 4.19Å; Q990-N994 PolarHBondContact O-N 3.16Å
991	F	74.4	Confident	76.8	Confident	24 Å²	24	61.2 Å²	61.2	11%	0.105	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-52.1	-26.9	168.3	72.6	-90.6	0	0	0	114.4	M950 I952 W984 D985 G989 G995	M950-F991 HydrophobicContact CE-CD1 4.34Å; M950-F991 HydrophobicContact CE-CE1 3.51Å; M950-F991 HydrophobicContact CE-CE2 3.82Å; M950-F991 HydrophobicContact CE-CZ 3.2Å; M950-F991 HydrophobicContact SD-CE1 4.22Å; M950-F991 HydrophobicContact SD-CZ 3.82Å; I952-F991 HydrophobicContact CD1-CB 4.34Å; I952-F991 HydrophobicContact CD1-CD2 3.67Å; I952-F991 HydrophobicContact CD1-CE2 4.04Å; I952-F991 HydrophobicContact CD1-CG 3.99Å; I952-F991 HydrophobicContact CG1-CD2 3.71Å; I952-F991 HydrophobicContact CG1-CE2 3.82Å; I952-F991 HydrophobicContact CG2-CD2 4.33Å; W984-F991 HydrophobicContact CE3-CB 3.71Å; W984-F991 HydrophobicContact CZ3-CB 4.23Å; D985-F991 WeakPolarHBondContact O-CD1 3.2Å; G989-F991 PolarHBondContact O-N 2.66Å; F991-G995 WeakPolarHBondContact O-CA 3.4Å
992	R	68.5	Low	75.7	Confident	194 Å²	194	63.7 Å²	63.7	73%	0.732	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-79.8	-30.3	-178.4	-61.9	-176.3	179.1	-173.1	-0.2	113.7	G989 Q990	G989-R992 WeakPolarHBondContact O-CB 3.29Å; G989-R992 WeakPolarHBondContact O-CG 3.41Å; G989-R992 PolarHBondContact O-N 3.06Å; Q990-R992 PolarHBondContact O-N 3.22Å; Q990-R992 VanDerWaalsContact O-N 3.09Å
993	S	59.9	Low	75.3	Confident	92 Å²	92	63.2 Å²	63.2	64%	0.643	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-42.9	-175.5	62.8	0	0	0	0	112.6	Q990	Q990-S993 PolarHBondContact O-N 3.46Å; Q990-S993 PolarHBondContact O-OG 3.48Å
994	N	61.3	Low	75.1	Confident	115 Å²	115	68.8 Å²	68.8	62%	0.615	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-10.9	-170.6	-57.6	9.9	0	0	0	112.2	Q990	Q990-N994 HydrophobicContact CG-CB 4.19Å; Q990-N994 PolarHBondContact O-N 3.16Å
995	G	75.1	Confident	74.9	Confident	11 Å²	11	69.2 Å²	69.2	11%	0.113	38%	0.376	C	S	.	.			trans	72.8	-168	-169.2	0	0	0	0	0	112.8	F991	F991-G995 WeakPolarHBondContact O-CA 3.4Å
996	G	77.4	Confident	74.9	Confident	13 Å²	13	69.1 Å²	69.1	13%	0.134	38%	0.378	C	S	.	.			trans	-82.9	131.8	177.7	0	0	0	0	0	111.7	L983 W984 A998	L983-G996 CarbonylContact O-C 3.58Å; L983-G996 WeakPolarHBondContact O-CA 3.13Å; W984-G996 VanDerWaalsContact CE3-CA 3.4Å; W984-G996 VanDerWaalsContact CE3-N 3.35Å; G996-A998 PolarHBondContact O-N 3.22Å
997	A	81.7	Confident	75.2	Confident	43 Å²	43	68.3 Å²	68.3	36%	0.355	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	113.2	-179.8	0	0	0	0	0	110.4	K982 L983 L1036	K982-A997 CarbonylContact C-O 3.52Å; K982-A997 WeakPolarHBondContact CA-O 3.27Å; L983-A997 PolarHBondContact N-O 3.23Å; L983-A997 PolarHBondContact O-N 3.29Å; A997-L1036 HydrophobicContact CB-CD1 3.86Å; A997-L1036 HydrophobicContact CB-CD2 4.49Å
998	A	82.6	Confident	75.5	Confident	55 Å²	55	61.8 Å²	61.8	46%	0.455	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	132.2	179.1	0	0	0	0	0	111.2	L981 K982 G996	L981-A998 WeakPolarHBondContact O-CA 3.35Å; K982-A998 HydrophobicContact CG-CB 4.08Å; G996-A998 PolarHBondContact O-N 3.22Å
999	L	80.3	Confident	76.3	Confident	9 Å²	9	58.9 Å²	58.9	5%	0.047	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-71.6	140.7	180	-76.3	89.4	0	0	0	112.1	L981 L983 L1019 W1031 L1036	L981-L999 HydrophobicContact CB-CD1 3.9Å; L981-L999 PolarHBondContact O-N 2.69Å; L983-L999 HydrophobicContact CB-CD1 4.49Å; L999-L1019 HydrophobicContact CD1-CD2 4.14Å; L999-L1019 HydrophobicContact CD2-CD2 3.66Å; L999-W1031 HydrophobicContact CB-CE3 3.72Å; L999-W1031 HydrophobicContact CB-CZ3 3.84Å; L999-W1031 HydrophobicContact CD2-CB 3.63Å; L999-W1031 HydrophobicContact CD2-CD2 3.84Å; L999-W1031 HydrophobicContact CD2-CE3 3.64Å; L999-W1031 HydrophobicContact CD2-CG 3.85Å; L999-W1031 HydrophobicContact CG-CE3 4.34Å; L999-L1036 HydrophobicContact CD1-CD2 4.24Å; L999-L1036 HydrophobicContact CG-CB 4.36Å; L999-L1036 HydrophobicContact CG-CD2 3.98Å
1000	Q	66.6	Low	77.2	Confident	113 Å²	113	57.9 Å²	57.9	53%	0.528	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-80.3	131	-168.1	-167.2	175.5	43	0	0	111.8	L1036 R1037	Q1000-L1036 PolarHBondContact N-O 3.16Å; Q1000-R1037 HydrophobicContact CB-CG 4.41Å
1001	R	65.7	Low	78.2	Confident	203 Å²	203	54.1 Å²	54.1	77%	0.766	29%	0.287	S	S	*	.	S	Bend	trans	61.8	70.7	-166.7	-66.4	-178.2	162.3	125.4	-5.4	112.4	W1031	R1001-W1031 WeakPolarHBondContact O-CH2 3.41Å; R1001-W1031 WeakPolarHBondContact O-CZ3 3.39Å
1002	S	67.6	Low	78.8	Confident	54 Å²	54	53.8 Å²	53.8	38%	0.378	29%	0.286	S	S	.	.			trans	-51.9	170.7	174.9	63.5	0	0	0	0	114.1	K979	K979-S1002 WeakPolarHBondContact O-CB 3.39Å
1003	H	82.8	Confident	79.6	Confident	8 Å²	8	44.7 Å²	44.7	4%	0.037	25%	0.253	C	S	.	.			trans	-63.3	158.3	172.1	-86.5	-77.7	0	0	0	112.3	K979 G1005 V1007 S1021 S1023 D1025 T1027 W1031	K979-H1003 PolarHBondContact O-N 2.73Å; H1003-G1005 WeakPolarHBondContact CB-O 3.19Å; H1003-V1007 HydrophobicContact CB-CG2 4Å; H1003-S1021 PolarHBondContact NE2-OG 2.89Å; H1003-S1023 VanDerWaalsContact CE1-CB 3.42Å; H1003-S1023 WeakPolarHBondContact CE1-CB 2.95Å; H1003-S1023 WeakPolarHBondContact ND1-CB 3.35Å; H1003-S1023 PolarHBondContact ND1-OG 3.46Å; H1003-D1025 VanDerWaalsContact CB-OD2 3.32Å; H1003-D1025 WeakPolarHBondContact CB-OD2 3.45Å; H1003-D1025 IonicContact CG-OD2 3.19Å; H1003-D1025 IonicContact ND1-OD1 2.68Å; H1003-D1025 IonicContact ND1-OD2 2.82Å; H1003-D1025 PolarHBondContact ND1-OD2 3.27Å; H1003-T1027 PolarHBondContact CE1-OG1 3.4Å; H1003-W1031 AromaticContact CD2-CZ2 3.87Å; H1003-W1031 AromaticContact NE2-CZ2 3.94Å
1004	E	84.1	Confident	80.3	Confident	135 Å²	135	43.4 Å²	43.4	63%	0.631	25%	0.247	S	C	*	.	S	Bend	trans	-86	-28.6	174.9	-173.3	175.7	-176	0	0	110.8	K979 D1025	K979-E1004 VanDerWaalsContact CD-O 3.31Å; K979-E1004 WeakPolarHBondContact CD-O 3.32Å; K979-E1004 WeakPolarHBondContact CE-O 3.23Å; K979-E1004 PolarHBondContact NZ-O 2.79Å; E1004-D1025 HydrophobicContact CB-CB 4.1Å; E1004-D1025 PolarHBondContact N-OD2 3.37Å
1005	G	84.8	Confident	81	Confident	12 Å²	12	42.8 Å²	42.8	12%	0.124	24%	0.244	C	C	.	.	S	Bend	trans	-103.4	175.7	172.3	0	0	0	0	0	113.2	K979 H1003 V1007 S1023 D1025	K979-G1005 WeakPolarHBondContact CB-O 3.02Å; K979-G1005 WeakPolarHBondContact CG-O 3.15Å; H1003-G1005 WeakPolarHBondContact CB-O 3.19Å; G1005-V1007 PolarHBondContact O-N 3.04Å; G1005-S1023 PolarHBondContact O-OG 2.91Å; G1005-D1025 PolarHBondContact N-OD2 3.23Å
1006	S	87.8	Confident	81.1	Confident	31 Å²	31	43.8 Å²	43.8	22%	0.217	25%	0.251	C	S	.	.			trans	-65.1	130.1	171.1	-63.7	0	0	0	0	110.6	S1008 S1023 Y1024	S1006-S1008 PolarHBondContact O-N 2.84Å; S1006-S1023 PolarHBondContact O-OG 3.24Å; S1006-Y1024 PolarHBondContact O-N 3.17Å
1007	V	89.9	Confident	81.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	128.3	179.8	-162.9	0	0	0	0	109.2	S961 A975 S976 K979 L981 H1003 G1005 G1022	S961-V1007 VanDerWaalsContact CB-O 3.31Å; S961-V1007 WeakPolarHBondContact CB-O 3.37Å; S961-V1007 PolarHBondContact OG-O 3.05Å; A975-V1007 HydrophobicContact CB-CB 3.97Å; A975-V1007 HydrophobicContact CB-CG1 3.64Å; S976-V1007 PolarHBondContact O-N 3.35Å; K979-V1007 WeakPolarHBondContact O-CG2 3.39Å; L981-V1007 HydrophobicContact CD1-CG1 4.45Å; L981-V1007 HydrophobicContact CD2-CG1 4.13Å; L981-V1007 HydrophobicContact CG-CG1 4.23Å; L981-V1007 HydrophobicContact CG-CG2 4.46Å; H1003-V1007 HydrophobicContact CB-CG2 4Å; G1005-V1007 PolarHBondContact O-N 3.04Å; V1007-G1022 VanDerWaalsContact CG1-O 3.29Å; V1007-G1022 WeakPolarHBondContact CG1-O 3.39Å
1008	S	86.9	Confident	81.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-29	-173.2	63.8	0	0	0	0	113.5	R765 S1006 G1022 Y1024 V1049	R765-S1008 PolarHBondContact NH2-O 2.89Å; S1006-S1008 PolarHBondContact O-N 2.84Å; S1008-G1022 PolarHBondContact N-O 3.09Å; S1008-G1022 VanDerWaalsContact OG-C 3.3Å; S1008-G1022 PolarHBondContact OG-O 3.44Å; S1008-G1022 VanDerWaalsContact OG-O 3.07Å; S1008-Y1024 VanDerWaalsContact CB-CE1 3.42Å; S1008-V1049 VanDerWaalsContact CB-O 3.23Å; S1008-V1049 WeakPolarHBondContact CB-O 3.38Å; S1008-V1049 PolarHBondContact OG-O 3.48Å
1009	C	86.4	Confident	81.7	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	158.3	-174.7	54	0	0	0	0	111.7	S1021 G1022 D1051 V1052	C1009-S1021 VanDerWaalsContact O-CA 3.32Å; C1009-S1021 WeakPolarHBondContact O-CA 3.38Å; C1009-S1021 WeakPolarHBondContact O-CB 3.28Å; C1009-G1022 PolarHBondContact O-N 3.15Å; C1009-G1022 WeakPolarHBondContact SG-CA 3.26Å; C1009-G1022 PolarHBondContact SG-N 3.33Å; C1009-D1051 WeakPolarHBondContact CB-OD1 3.35Å; C1009-V1052 VanDerWaalsContact SG-CG2 3.56Å
1010	C	90.5	Very high	82.1	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.007	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	143.4	169.3	54.4	0	0	0	0	110.5	S962 C964 A975 L981 L1019 V1020	S962-C1010 PolarHBondContact OG-N 2.84Å; C964-C1010 VanDerWaalsContact SG-C 3.59Å; C964-C1010 VanDerWaalsContact SG-SG 3.67Å; A975-C1010 HydrophobicContact CB-CB 4.04Å; L981-C1010 HydrophobicContact CD2-CB 3.77Å; C1010-L1019 HydrophobicContact CB-CD1 4.28Å; C1010-V1020 CarbonylContact C-O 3.53Å; C1010-V1020 VanDerWaalsContact CA-O 3.3Å; C1010-V1020 WeakPolarHBondContact CA-O 3.4Å
1011	V	88.9	Confident	83.3	Confident	23 Å²	23	38.4 Å²	38.4	14%	0.139	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	132.2	173.8	177.2	0	0	0	0	109	V1020 V1052 L1054	V1011-V1020 PolarHBondContact N-O 2.95Å; V1011-V1020 PolarHBondContact O-N 3.43Å; V1011-V1052 VanDerWaalsContact CG2-O 3.25Å; V1011-V1052 WeakPolarHBondContact CG2-O 3.4Å; V1011-L1054 HydrophobicContact CG1-CB 3.87Å
1012	L	87.1	Confident	84.4	Confident	17 Å²	17	28.7 Å²	28.7	9%	0.089	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	149.6	171.2	-82.4	162.7	0	0	0	110	C964 N966 C973 L1019 P1033	C964-L1012 PolarHBondContact SG-N 3.01Å; N966-L1012 HydrophobicContact CB-CD1 4.26Å; C973-L1012 HydrophobicContact CB-CD1 3.81Å; C973-L1012 HydrophobicContact CB-CG 4.32Å; L1012-L1019 HydrophobicContact CD2-CB 3.73Å; L1012-L1019 HydrophobicContact CD2-CD1 3.92Å; L1012-L1019 HydrophobicContact CD2-CG 4.37Å; L1012-L1019 HydrophobicContact CG-CD1 3.87Å; L1012-P1033 HydrophobicContact CD2-CG 4.38Å
1013	S	84.3	Confident	85.5	Confident	4 Å²	4	26.1 Å²	26.1	3%	0.028	16%	0.155	C	C	.	.			trans	-72.9	157.4	163	-163.7	0	0	0	0	111.1	N966 D1015 A1016 L1018 L1054 R1058	N966-S1013 PolarHBondContact OD1-O 3.06Å; S1013-D1015 PolarHBondContact O-N 2.99Å; S1013-A1016 PolarHBondContact O-N 3.18Å; S1013-L1018 PolarHBondContact N-O 3.47Å; S1013-L1054 VanDerWaalsContact CB-CD2 3.45Å; S1013-L1054 WeakPolarHBondContact OG-CD2 3.35Å; S1013-R1058 WeakPolarHBondContact OG-CG 3.26Å; S1013-R1058 PolarHBondContact OG-NE 3.48Å; S1013-R1058 VanDerWaalsContact OG-NE 3.13Å
1014	A	75.4	Confident	85.8	Confident	64 Å²	64	27.7 Å²	27.7	53%	0.529	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-45.6	-176.9	0	0	0	0	0	112.4	N966 G967 A1016	N966-A1014 PolarHBondContact OD1-O 3.09Å; N966-A1014 VanDerWaalsContact OD1-O 3.1Å; G967-A1014 WeakPolarHBondContact CA-O 3.46Å; G967-A1014 PolarHBondContact N-O 3.42Å; A1014-A1016 VanDerWaalsContact C-N 3.3Å; A1014-A1016 PolarHBondContact O-N 3.26Å
1015	D	74.8	Confident	85.9	Confident	103 Å²	103	22.6 Å²	22.6	55%	0.551	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	36	-177	-1	-113.3	0	0	0	112.4	S1013 D1017 R1058	S1013-D1015 PolarHBondContact O-N 2.99Å; D1015-D1017 PolarHBondContact O-N 2.93Å; D1015-R1058 VanDerWaalsContact CB-NH2 3.27Å; D1015-R1058 PolarHBondContact O-NH2 3.07Å; D1015-R1058 IonicContact OD2-CZ 2.66Å; D1015-R1058 IonicContact OD2-NE 2.66Å; D1015-R1058 PolarHBondContact OD2-NE 3.18Å; D1015-R1058 IonicContact OD2-NH2 3.78Å; D1015-R1058 PolarHBondContact OD2-NH2 3.19Å
1016	A	77.8	Confident	86	Confident	31 Å²	31	27.9 Å²	27.9	26%	0.256	15%	0.154	S	C	.	.	S	Bend	trans	64.4	-27.9	170.7	0	0	0	0	0	119.5	N966 S1013 A1014 L1018 P1033	N966-A1016 WeakPolarHBondContact OD1-CA 3.27Å; N966-A1016 VanDerWaalsContact OD1-CB 3.23Å; N966-A1016 WeakPolarHBondContact OD1-CB 3.26Å; N966-A1016 PolarHBondContact OD1-N 3.1Å; S1013-A1016 PolarHBondContact O-N 3.18Å; A1014-A1016 VanDerWaalsContact C-N 3.3Å; A1014-A1016 PolarHBondContact O-N 3.26Å; A1016-L1018 PolarHBondContact O-N 3.17Å; A1016-P1033 WeakPolarHBondContact O-CG 3.33Å
1017	D	81.2	Confident	86	Confident	97 Å²	97	26.7 Å²	26.7	52%	0.519	15%	0.145	S	C	.	.	S	Bend	trans	-64.4	-19.4	-163.1	-55.8	-55.5	0	0	0	115.7	D1015 P1033 R1058	D1015-D1017 PolarHBondContact O-N 2.93Å; D1017-P1033 WeakPolarHBondContact O-CD 3.06Å; D1017-R1058 IonicContact OD2-CZ 2.65Å; D1017-R1058 IonicContact OD2-NH1 3.47Å; D1017-R1058 PolarHBondContact OD2-NH1 3.21Å; D1017-R1058 IonicContact OD2-NH2 3.08Å; D1017-R1058 PolarHBondContact OD2-NH2 2.7Å
1018	L	84.9	Confident	86	Confident	23 Å²	23	26.8 Å²	26.8	12%	0.12	15%	0.146	C	C	.	.			trans	-135.3	119.4	-171.4	-175.2	60	0	0	0	111.6	S1013 A1016 V1020 L1030 L1054 V1075	S1013-L1018 PolarHBondContact N-O 3.47Å; A1016-L1018 PolarHBondContact O-N 3.17Å; L1018-V1020 HydrophobicContact CD1-CG2 4.43Å; L1018-V1020 HydrophobicContact CD2-CG2 4.5Å; L1018-V1020 HydrophobicContact CG-CG2 4.1Å; L1018-L1030 HydrophobicContact CD1-CB 4.04Å; L1018-L1030 HydrophobicContact CD1-CD2 4.48Å; L1018-L1054 HydrophobicContact CD2-CD1 3.8Å; L1018-L1054 HydrophobicContact CG-CD1 4.24Å; L1018-V1075 HydrophobicContact CD2-CG1 4.23Å
1019	L	88.5	Confident	86	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	139.3	167.6	169.3	69.3	0	0	0	108.9	C973 L999 C1010 L1012 W1031	C973-L1019 HydrophobicContact CB-CD1 4.07Å; L999-L1019 HydrophobicContact CD1-CD2 4.14Å; L999-L1019 HydrophobicContact CD2-CD2 3.66Å; C1010-L1019 HydrophobicContact CB-CD1 4.28Å; L1012-L1019 HydrophobicContact CD2-CB 3.73Å; L1012-L1019 HydrophobicContact CD2-CD1 3.92Å; L1012-L1019 HydrophobicContact CD2-CG 4.37Å; L1012-L1019 HydrophobicContact CG-CD1 3.87Å; L1019-W1031 HydrophobicContact CB-CB 4.15Å; L1019-W1031 HydrophobicContact CD2-CB 4.21Å; L1019-W1031 HydrophobicContact CD2-CG 4.25Å; L1019-W1031 HydrophobicContact CG-CB 4.39Å; L1019-W1031 HydrophobicContact CG-CG 4.46Å; L1019-W1031 PolarHBondContact N-O 3.12Å; L1019-W1031 PolarHBondContact O-N 3.36Å
1020	V	89.3	Confident	86.1	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.5	176.9	-173.5	0	0	0	0	110.4	C1010 V1011 L1018 V1028 A1029 L1030 V1052 L1054 V1061	C1010-V1020 CarbonylContact C-O 3.53Å; C1010-V1020 VanDerWaalsContact CA-O 3.3Å; C1010-V1020 WeakPolarHBondContact CA-O 3.4Å; V1011-V1020 PolarHBondContact N-O 2.95Å; V1011-V1020 PolarHBondContact O-N 3.43Å; L1018-V1020 HydrophobicContact CD1-CG2 4.43Å; L1018-V1020 HydrophobicContact CD2-CG2 4.5Å; L1018-V1020 HydrophobicContact CG-CG2 4.1Å; V1020-V1028 HydrophobicContact CG1-CG1 3.53Å; V1020-A1029 WeakPolarHBondContact CA-O 3.16Å; V1020-L1030 HydrophobicContact CB-CD2 4.28Å; V1020-L1030 HydrophobicContact CG1-CD2 3.9Å; V1020-L1030 HydrophobicContact CG2-CD2 3.51Å; V1020-V1052 HydrophobicContact CG1-CG1 3.67Å; V1020-L1054 HydrophobicContact CB-CD1 4.5Å; V1020-L1054 HydrophobicContact CG2-CD1 3.47Å; V1020-L1054 VanDerWaalsContact CG2-CD1 3.47Å; V1020-V1061 HydrophobicContact CG1-CG1 4.12Å; V1020-V1061 HydrophobicContact CG1-CG2 4.37Å; V1020-V1061 HydrophobicContact CG2-CG2 4.1Å
1021	S	90.8	Very high	86	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	140.5	178.4	58.2	0	0	0	0	112.6	L981 H1003 C1009 V1028 A1029 W1031	L981-S1021 WeakPolarHBondContact CD1-OG 3.3Å; H1003-S1021 PolarHBondContact NE2-OG 2.89Å; C1009-S1021 VanDerWaalsContact O-CA 3.32Å; C1009-S1021 WeakPolarHBondContact O-CA 3.38Å; C1009-S1021 WeakPolarHBondContact O-CB 3.28Å; S1021-V1028 CarbonylContact O-C 3.59Å; S1021-V1028 VanDerWaalsContact O-CA 3.28Å; S1021-V1028 WeakPolarHBondContact O-CA 3.42Å; S1021-A1029 PolarHBondContact N-O 3.41Å; S1021-A1029 PolarHBondContact O-N 2.89Å; S1021-W1031 PolarHBondContact OG-NE1 3.13Å
1022	G	89.3	Confident	85.8	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	150.6	167.4	0	0	0	0	0	111.2	V1007 S1008 C1009	V1007-G1022 VanDerWaalsContact CG1-O 3.29Å; V1007-G1022 WeakPolarHBondContact CG1-O 3.39Å; S1008-G1022 PolarHBondContact N-O 3.09Å; S1008-G1022 VanDerWaalsContact OG-C 3.3Å; S1008-G1022 PolarHBondContact OG-O 3.44Å; S1008-G1022 VanDerWaalsContact OG-O 3.07Å; C1009-G1022 PolarHBondContact O-N 3.15Å; C1009-G1022 WeakPolarHBondContact SG-CA 3.26Å; C1009-G1022 PolarHBondContact SG-N 3.33Å
1023	S	90.3	Very high	85.5	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	158.8	-176.9	171.9	0	0	0	0	113.2	H1003 G1005 S1006 D1025 R1026 T1027 V1049	H1003-S1023 VanDerWaalsContact CE1-CB 3.42Å; H1003-S1023 WeakPolarHBondContact CE1-CB 2.95Å; H1003-S1023 WeakPolarHBondContact ND1-CB 3.35Å; H1003-S1023 PolarHBondContact ND1-OG 3.46Å; G1005-S1023 PolarHBondContact O-OG 2.91Å; S1006-S1023 PolarHBondContact O-OG 3.24Å; S1023-D1025 WeakPolarHBondContact CB-OD1 3.33Å; S1023-D1025 WeakPolarHBondContact CB-OD2 3.31Å; S1023-D1025 PolarHBondContact O-N 3.5Å; S1023-D1025 PolarHBondContact OG-N 3.45Å; S1023-D1025 PolarHBondContact OG-OD1 3.41Å; S1023-D1025 PolarHBondContact OG-OD2 3.46Å; S1023-R1026 PolarHBondContact O-N 3.12Å; S1023-R1026 VanDerWaalsContact O-N 3.14Å; S1023-T1027 PolarHBondContact N-O 3.4Å; S1023-T1027 VanDerWaalsContact N-O 3.14Å; S1023-V1049 PolarHBondContact O-N 3.18Å
1024	Y	88.8	Confident	85.4	Confident	40 Å²	40	32.5 Å²	32.5	16%	0.157	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-1.4	173.8	-61.6	-10.6	0	0	0	113.3	R765 S1006 S1008 R1026 W1048	R765-Y1024 WeakPolarHBondContact CB-OH 3.44Å; R765-Y1024 WeakPolarHBondContact CD-OH 3.28Å; R765-Y1024 VanDerWaalsContact CG-OH 3.29Å; R765-Y1024 WeakPolarHBondContact CG-OH 3.45Å; S1006-Y1024 PolarHBondContact O-N 3.17Å; S1008-Y1024 VanDerWaalsContact CB-CE1 3.42Å; Y1024-R1026 PolarHBondContact O-N 3.01Å; Y1024-W1048 HydrophobicContact CD1-CB 3.69Å; Y1024-W1048 HydrophobicContact CD1-CD2 4.34Å; Y1024-W1048 AromaticContact CD1-CG 3.98Å; Y1024-W1048 HydrophobicContact CD1-CG 3.98Å; Y1024-W1048 HydrophobicContact CD2-CD2 4.42Å; Y1024-W1048 HydrophobicContact CD2-CE3 4.49Å; Y1024-W1048 HydrophobicContact CE1-CB 4.31Å; Y1024-W1048 HydrophobicContact CG-CB 4.18Å; Y1024-W1048 HydrophobicContact CG-CD2 4.11Å; Y1024-W1048 HydrophobicContact CG-CE3 4.49Å; Y1024-W1048 AromaticContact CG-CG 3.96Å; Y1024-W1048 HydrophobicContact CG-CG 3.96Å
1025	D	86.5	Confident	85.5	Confident	28 Å²	28	31.9 Å²	31.9	15%	0.15	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	6.7	161.5	54.6	39.4	0	0	0	113.7	H1003 E1004 G1005 S1023 T1027	H1003-D1025 VanDerWaalsContact CB-OD2 3.32Å; H1003-D1025 WeakPolarHBondContact CB-OD2 3.45Å; H1003-D1025 IonicContact CG-OD2 3.19Å; H1003-D1025 IonicContact ND1-OD1 2.68Å; H1003-D1025 IonicContact ND1-OD2 2.82Å; H1003-D1025 PolarHBondContact ND1-OD2 3.27Å; E1004-D1025 HydrophobicContact CB-CB 4.1Å; E1004-D1025 PolarHBondContact N-OD2 3.37Å; G1005-D1025 PolarHBondContact N-OD2 3.23Å; S1023-D1025 WeakPolarHBondContact CB-OD1 3.33Å; S1023-D1025 WeakPolarHBondContact CB-OD2 3.31Å; S1023-D1025 PolarHBondContact O-N 3.5Å; S1023-D1025 PolarHBondContact OG-N 3.45Å; S1023-D1025 PolarHBondContact OG-OD1 3.41Å; S1023-D1025 PolarHBondContact OG-OD2 3.46Å; D1025-T1027 HydrophobicContact CB-CG2 4.45Å; D1025-T1027 WeakPolarHBondContact O-CG2 3.44Å; D1025-T1027 PolarHBondContact O-N 2.65Å; D1025-T1027 VanDerWaalsContact OD1-CB 3.26Å; D1025-T1027 WeakPolarHBondContact OD1-CB 3.39Å; D1025-T1027 WeakPolarHBondContact OD1-CG2 3.31Å; D1025-T1027 PolarHBondContact OD1-N 3.32Å; D1025-T1027 PolarHBondContact OD1-OG1 3.41Å
1026	R	87	Confident	85.9	Confident	124 Å²	124	29.3 Å²	29.3	47%	0.468	16%	0.162	S	C	.	.	S	Bend	trans	67.6	16.7	-179.7	-41	178.8	176.7	149.8	-1.4	113.6	S1023 Y1024 H1045 S1046	S1023-R1026 PolarHBondContact O-N 3.12Å; S1023-R1026 VanDerWaalsContact O-N 3.14Å; Y1024-R1026 PolarHBondContact O-N 3.01Å; R1026-H1045 WeakPolarHBondContact CB-O 3.4Å; R1026-S1046 WeakPolarHBondContact CD-O 3.45Å; R1026-S1046 PolarHBondContact NE-O 3.22Å; R1026-S1046 VanDerWaalsContact NE-O 3.13Å
1027	T	87.5	Confident	85.9	Confident	6 Å²	6	34.7 Å²	34.7	4%	0.037	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	153.8	178.4	81.5	0	0	0	0	112	H1003 S1023 D1025 V1041 L1042 R1043	H1003-T1027 PolarHBondContact CE1-OG1 3.4Å; S1023-T1027 PolarHBondContact N-O 3.4Å; S1023-T1027 VanDerWaalsContact N-O 3.14Å; D1025-T1027 HydrophobicContact CB-CG2 4.45Å; D1025-T1027 WeakPolarHBondContact O-CG2 3.44Å; D1025-T1027 PolarHBondContact O-N 2.65Å; D1025-T1027 VanDerWaalsContact OD1-CB 3.26Å; D1025-T1027 WeakPolarHBondContact OD1-CB 3.39Å; D1025-T1027 WeakPolarHBondContact OD1-CG2 3.31Å; D1025-T1027 PolarHBondContact OD1-N 3.32Å; D1025-T1027 PolarHBondContact OD1-OG1 3.41Å; T1027-V1041 HydrophobicContact CG2-CG1 3.91Å; T1027-L1042 WeakPolarHBondContact CA-O 3.47Å; T1027-R1043 HydrophobicContact CG2-CG 3.66Å
1028	V	89.4	Confident	85.9	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.2	162.5	-178.5	0	0	0	0	106.9	V1020 S1021 L1042 V1049 V1052 V1061	V1020-V1028 HydrophobicContact CG1-CG1 3.53Å; S1021-V1028 CarbonylContact O-C 3.59Å; S1021-V1028 VanDerWaalsContact O-CA 3.28Å; S1021-V1028 WeakPolarHBondContact O-CA 3.42Å; V1028-L1042 HydrophobicContact CB-CB 4.18Å; V1028-L1042 HydrophobicContact CB-CD1 4.27Å; V1028-L1042 HydrophobicContact CG1-CD1 4.27Å; V1028-L1042 PolarHBondContact N-O 2.99Å; V1028-L1042 WeakPolarHBondContact O-CB 3.5Å; V1028-L1042 PolarHBondContact O-N 3.25Å; V1028-V1049 HydrophobicContact CG2-CG1 4.06Å; V1028-V1049 HydrophobicContact CG2-CG2 4.15Å; V1028-V1052 HydrophobicContact CG1-CG1 4.28Å; V1028-V1052 HydrophobicContact CG1-CG2 4.24Å; V1028-V1052 HydrophobicContact CG2-CG2 4.09Å; V1028-V1061 HydrophobicContact CG1-CG1 4.24Å
1029	A	88.3	Confident	85.7	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	137.3	178.2	0	0	0	0	0	110.7	V1020 S1021 W1031 R1038 L1040	V1020-A1029 WeakPolarHBondContact CA-O 3.16Å; S1021-A1029 PolarHBondContact N-O 3.41Å; S1021-A1029 PolarHBondContact O-N 2.89Å; A1029-W1031 HydrophobicContact CB-CZ2 3.76Å; A1029-W1031 PolarHBondContact O-NE1 3.24Å; A1029-R1038 HydrophobicContact CB-CG 4.12Å; A1029-L1040 WeakPolarHBondContact CA-O 3.14Å
1030	L	88.4	Confident	85.3	Confident	6 Å²	6	38 Å²	38	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	143.4	165.1	-50.4	-175.5	0	0	0	108.5	L1018 V1020 R1038 T1039 L1040 L1042 V1061 V1075	L1018-L1030 HydrophobicContact CD1-CB 4.04Å; L1018-L1030 HydrophobicContact CD1-CD2 4.48Å; V1020-L1030 HydrophobicContact CB-CD2 4.28Å; V1020-L1030 HydrophobicContact CG1-CD2 3.9Å; V1020-L1030 HydrophobicContact CG2-CD2 3.51Å; L1030-R1038 CarbonylContact O-C 3.53Å; L1030-R1038 WeakPolarHBondContact O-CA 3.4Å; L1030-T1039 VanDerWaalsContact C-OG1 3.29Å; L1030-T1039 WeakPolarHBondContact CB-OG1 3.45Å; L1030-T1039 PolarHBondContact O-N 3.42Å; L1030-T1039 PolarHBondContact O-OG1 3.3Å; L1030-L1040 HydrophobicContact CB-CB 3.88Å; L1030-L1040 HydrophobicContact CD1-CB 3.86Å; L1030-L1040 HydrophobicContact CD1-CD2 3.57Å; L1030-L1040 HydrophobicContact CD1-CG 4.35Å; L1030-L1040 HydrophobicContact CG-CB 3.88Å; L1030-L1040 HydrophobicContact CG-CD2 4.13Å; L1030-L1040 PolarHBondContact N-O 3.28Å; L1030-L1040 PolarHBondContact O-N 2.83Å; L1030-L1042 HydrophobicContact CD2-CD1 4.45Å; L1030-V1061 HydrophobicContact CD2-CG2 4.23Å; L1030-V1075 HydrophobicContact CD1-CG1 3.81Å; L1030-V1075 HydrophobicContact CD1-CG2 4.38Å
1031	W	87.1	Confident	85	Confident	1 Å²	1	38.7 Å²	38.7	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	142.4	178.6	-42.1	73.5	0	0	0	109.8	L981 L999 R1001 H1003 L1019 S1021 A1029 R1037 R1038	L981-W1031 HydrophobicContact CD1-CD2 4.37Å; L981-W1031 HydrophobicContact CD1-CH2 4.37Å; L981-W1031 HydrophobicContact CD1-CZ2 3.6Å; L999-W1031 HydrophobicContact CB-CE3 3.72Å; L999-W1031 HydrophobicContact CB-CZ3 3.84Å; L999-W1031 HydrophobicContact CD2-CB 3.63Å; L999-W1031 HydrophobicContact CD2-CD2 3.84Å; L999-W1031 HydrophobicContact CD2-CE3 3.64Å; L999-W1031 HydrophobicContact CD2-CG 3.85Å; L999-W1031 HydrophobicContact CG-CE3 4.34Å; R1001-W1031 WeakPolarHBondContact O-CH2 3.41Å; R1001-W1031 WeakPolarHBondContact O-CZ3 3.39Å; H1003-W1031 AromaticContact CD2-CZ2 3.87Å; H1003-W1031 AromaticContact NE2-CZ2 3.94Å; L1019-W1031 HydrophobicContact CB-CB 4.15Å; L1019-W1031 HydrophobicContact CD2-CB 4.21Å; L1019-W1031 HydrophobicContact CD2-CG 4.25Å; L1019-W1031 HydrophobicContact CG-CB 4.39Å; L1019-W1031 HydrophobicContact CG-CG 4.46Å; L1019-W1031 PolarHBondContact N-O 3.12Å; L1019-W1031 PolarHBondContact O-N 3.36Å; S1021-W1031 PolarHBondContact OG-NE1 3.13Å; A1029-W1031 HydrophobicContact CB-CZ2 3.76Å; A1029-W1031 PolarHBondContact O-NE1 3.24Å; W1031-R1037 WeakPolarHBondContact CA-O 3.45Å; W1031-R1038 HydrophobicContact CD2-CB 4.17Å; W1031-R1038 HydrophobicContact CD2-CG 4.14Å; W1031-R1038 HydrophobicContact CE3-CB 3.62Å; W1031-R1038 HydrophobicContact CE3-CG 4.04Å; W1031-R1038 HydrophobicContact CH2-CB 4.12Å; W1031-R1038 HydrophobicContact CH2-CG 4.04Å; W1031-R1038 HydrophobicContact CZ2-CG 4.14Å; W1031-R1038 HydrophobicContact CZ3-CB 3.6Å; W1031-R1038 HydrophobicContact CZ3-CG 4Å
1032	D	85.7	Confident	84.7	Confident	35 Å²	35	38.8 Å²	38.8	19%	0.187	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	114.3	161.7	158.4	25.3	0	0	0	107	S1034 S1035 L1036 R1037 T1039	D1032-S1034 VanDerWaalsContact C-N 3.29Å; D1032-S1034 WeakPolarHBondContact OD1-CA 3.49Å; D1032-S1034 VanDerWaalsContact OD1-CB 3.27Å; D1032-S1034 WeakPolarHBondContact OD1-CB 3.37Å; D1032-S1034 PolarHBondContact OD1-N 3.34Å; D1032-S1034 PolarHBondContact OD1-OG 3.34Å; D1032-S1034 PolarHBondContact OD2-OG 3.24Å; D1032-S1035 PolarHBondContact OD1-N 3.28Å; D1032-S1035 WeakPolarHBondContact OD2-CB 3.36Å; D1032-S1035 PolarHBondContact OD2-N 3.01Å; D1032-S1035 PolarHBondContact OD2-OG 3.19Å; D1032-L1036 WeakPolarHBondContact O-CA 3.47Å; D1032-L1036 PolarHBondContact O-N 3.07Å; D1032-R1037 PolarHBondContact N-O 3.06Å; D1032-R1037 PolarHBondContact O-N 3.24Å; D1032-R1037 VanDerWaalsContact O-N 3.12Å; D1032-T1039 HydrophobicContact CB-CG2 3.63Å
1033	P	81	Confident	84.4	Confident	16 Å²	16	42.7 Å²	42.7	10%	0.104	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-13.6	-180	31.3	-32.2	0	0	0	112.9	L983 L1012 A1016 D1017 L1036	L983-P1033 HydrophobicContact CD2-CB 4.07Å; L1012-P1033 HydrophobicContact CD2-CG 4.38Å; A1016-P1033 WeakPolarHBondContact O-CG 3.33Å; D1017-P1033 WeakPolarHBondContact O-CD 3.06Å; P1033-L1036 WeakPolarHBondContact O-CD2 3.12Å
1034	S	81.8	Confident	83.7	Confident	107 Å²	107	43.4 Å²	43.4	75%	0.748	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-41.3	174.9	78.5	0	0	0	0	111.7	D1032	D1032-S1034 VanDerWaalsContact C-N 3.29Å; D1032-S1034 WeakPolarHBondContact OD1-CA 3.49Å; D1032-S1034 VanDerWaalsContact OD1-CB 3.27Å; D1032-S1034 WeakPolarHBondContact OD1-CB 3.37Å; D1032-S1034 PolarHBondContact OD1-N 3.34Å; D1032-S1034 PolarHBondContact OD1-OG 3.34Å; D1032-S1034 PolarHBondContact OD2-OG 3.24Å
1035	S	78.1	Confident	83.3	Confident	52 Å²	52	41.9 Å²	41.9	36%	0.364	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-2.4	170.4	72.5	0	0	0	0	114.2	D1032 R1037	D1032-S1035 PolarHBondContact OD1-N 3.28Å; D1032-S1035 WeakPolarHBondContact OD2-CB 3.36Å; D1032-S1035 PolarHBondContact OD2-N 3.01Å; D1032-S1035 PolarHBondContact OD2-OG 3.19Å; S1035-R1037 WeakPolarHBondContact O-CG 3.4Å; S1035-R1037 PolarHBondContact O-N 2.98Å
1036	L	81.5	Confident	83.1	Confident	48 Å²	48	44.3 Å²	44.3	25%	0.251	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	31	-175.7	-64.1	169.5	0	0	0	113.6	L983 A997 L999 Q1000 D1032 P1033	L983-L1036 HydrophobicContact CB-CD2 4.21Å; L983-L1036 HydrophobicContact CD2-CD2 4Å; A997-L1036 HydrophobicContact CB-CD1 3.86Å; A997-L1036 HydrophobicContact CB-CD2 4.49Å; L999-L1036 HydrophobicContact CD1-CD2 4.24Å; L999-L1036 HydrophobicContact CG-CB 4.36Å; L999-L1036 HydrophobicContact CG-CD2 3.98Å; Q1000-L1036 PolarHBondContact N-O 3.16Å; D1032-L1036 WeakPolarHBondContact O-CA 3.47Å; D1032-L1036 PolarHBondContact O-N 3.07Å; P1033-L1036 WeakPolarHBondContact O-CD2 3.12Å
1037	R	78.1	Confident	83	Confident	144 Å²	144	40 Å²	40	54%	0.543	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	144.9	-172.8	-76.6	165.2	178.8	174.8	6.6	112.6	Q1000 W1031 D1032 S1035 T1039	Q1000-R1037 HydrophobicContact CB-CG 4.41Å; W1031-R1037 WeakPolarHBondContact CA-O 3.45Å; D1032-R1037 PolarHBondContact N-O 3.06Å; D1032-R1037 PolarHBondContact O-N 3.24Å; D1032-R1037 VanDerWaalsContact O-N 3.12Å; S1035-R1037 WeakPolarHBondContact O-CG 3.4Å; S1035-R1037 PolarHBondContact O-N 2.98Å; R1037-T1039 PolarHBondContact O-N 3.06Å
1038	R	81.5	Confident	82.9	Confident	85 Å²	85	43.8 Å²	43.8	32%	0.321	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	112.9	170.5	-157.5	177.8	73.9	-178.9	11.8	109.7	A1029 L1030 W1031 V1041	A1029-R1038 HydrophobicContact CB-CG 4.12Å; L1030-R1038 CarbonylContact O-C 3.53Å; L1030-R1038 WeakPolarHBondContact O-CA 3.4Å; W1031-R1038 HydrophobicContact CD2-CB 4.17Å; W1031-R1038 HydrophobicContact CD2-CG 4.14Å; W1031-R1038 HydrophobicContact CE3-CB 3.62Å; W1031-R1038 HydrophobicContact CE3-CG 4.04Å; W1031-R1038 HydrophobicContact CH2-CB 4.12Å; W1031-R1038 HydrophobicContact CH2-CG 4.04Å; W1031-R1038 HydrophobicContact CZ2-CG 4.14Å; W1031-R1038 HydrophobicContact CZ3-CB 3.6Å; W1031-R1038 HydrophobicContact CZ3-CG 4Å; R1038-V1041 HydrophobicContact CG-CG2 4.33Å
1039	T	80	Confident	82.7	Confident	83 Å²	83	43.8 Å²	43.8	51%	0.509	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-33.5	179.3	50	0	0	0	0	111.9	L1030 D1032 R1037	L1030-T1039 VanDerWaalsContact C-OG1 3.29Å; L1030-T1039 WeakPolarHBondContact CB-OG1 3.45Å; L1030-T1039 PolarHBondContact O-N 3.42Å; L1030-T1039 PolarHBondContact O-OG1 3.3Å; D1032-T1039 HydrophobicContact CB-CG2 3.63Å; R1037-T1039 PolarHBondContact O-N 3.06Å
1040	L	80.1	Confident	82.5	Confident	23 Å²	23	44.5 Å²	44.5	12%	0.12	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	154	-179.2	-169.2	64.9	0	0	0	112.2	A1029 L1030 L1042 V1078 V1084	A1029-L1040 WeakPolarHBondContact CA-O 3.14Å; L1030-L1040 HydrophobicContact CB-CB 3.88Å; L1030-L1040 HydrophobicContact CD1-CB 3.86Å; L1030-L1040 HydrophobicContact CD1-CD2 3.57Å; L1030-L1040 HydrophobicContact CD1-CG 4.35Å; L1030-L1040 HydrophobicContact CG-CB 3.88Å; L1030-L1040 HydrophobicContact CG-CD2 4.13Å; L1030-L1040 PolarHBondContact N-O 3.28Å; L1030-L1040 PolarHBondContact O-N 2.83Å; L1040-L1042 HydrophobicContact CD2-CD2 3.54Å; L1040-L1042 HydrophobicContact CD2-CG 4.02Å; L1040-L1042 HydrophobicContact CG-CD2 4.26Å; L1040-L1042 HydrophobicContact CG-CG 4.49Å; L1040-V1078 HydrophobicContact CD1-CG1 3.6Å; L1040-V1078 HydrophobicContact CD2-CB 4.2Å; L1040-V1078 HydrophobicContact CD2-CG1 3.49Å; L1040-V1078 VanDerWaalsContact CD2-CG1 3.49Å; L1040-V1078 HydrophobicContact CD2-CG2 3.54Å; L1040-V1078 HydrophobicContact CG-CG1 4.2Å; L1040-V1084 HydrophobicContact CD1-CG1 3.87Å
1041	V	84.9	Confident	82.3	Confident	13 Å²	13	44.4 Å²	44.4	8%	0.079	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	119.9	161.1	-174.9	0	0	0	0	109	T1027 R1038 R1043	T1027-V1041 HydrophobicContact CG2-CG1 3.91Å; R1038-V1041 HydrophobicContact CG-CG2 4.33Å; V1041-R1043 HydrophobicContact CG1-CG 3.81Å
1042	L	82.8	Confident	82.4	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	108.9	167.7	-55.8	168.6	0	0	0	106.8	T1027 V1028 L1030 L1040 W1073 I1081 V1084	T1027-L1042 WeakPolarHBondContact CA-O 3.47Å; V1028-L1042 HydrophobicContact CB-CB 4.18Å; V1028-L1042 HydrophobicContact CB-CD1 4.27Å; V1028-L1042 HydrophobicContact CG1-CD1 4.27Å; V1028-L1042 PolarHBondContact N-O 2.99Å; V1028-L1042 WeakPolarHBondContact O-CB 3.5Å; V1028-L1042 PolarHBondContact O-N 3.25Å; L1030-L1042 HydrophobicContact CD2-CD1 4.45Å; L1040-L1042 HydrophobicContact CD2-CD2 3.54Å; L1040-L1042 HydrophobicContact CD2-CG 4.02Å; L1040-L1042 HydrophobicContact CG-CD2 4.26Å; L1040-L1042 HydrophobicContact CG-CG 4.49Å; L1042-W1073 HydrophobicContact CB-CD2 4.18Å; L1042-W1073 HydrophobicContact CB-CE3 4.06Å; L1042-W1073 HydrophobicContact CB-CH2 4.31Å; L1042-W1073 HydrophobicContact CB-CZ2 4.44Å; L1042-W1073 HydrophobicContact CB-CZ3 4.13Å; L1042-W1073 HydrophobicContact CD1-CB 3.88Å; L1042-W1073 HydrophobicContact CD1-CD2 3.98Å; L1042-W1073 HydrophobicContact CD1-CE3 4.38Å; L1042-W1073 HydrophobicContact CD1-CG 3.78Å; L1042-W1073 HydrophobicContact CD2-CD2 4.36Å; L1042-W1073 HydrophobicContact CD2-CE3 3.94Å; L1042-W1073 HydrophobicContact CG-CD2 4.41Å; L1042-W1073 HydrophobicContact CG-CE3 4.36Å; L1042-I1081 HydrophobicContact CD2-CD1 3.58Å; L1042-V1084 HydrophobicContact CD2-CG2 3.77Å
1043	R	83.3	Confident	82.4	Confident	82 Å²	82	44.1 Å²	44.1	31%	0.309	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	153.1	167.9	-54.7	-164	-164.6	-121.7	14.1	109.4	T1027 V1041 W1073 E1083 I1087 E1091	T1027-R1043 HydrophobicContact CG2-CG 3.66Å; V1041-R1043 HydrophobicContact CG1-CG 3.81Å; R1043-W1073 WeakPolarHBondContact O-CH2 3.36Å; R1043-E1083 WeakPolarHBondContact O-CB 3.43Å; R1043-I1087 HydrophobicContact CB-CD1 3.71Å; R1043-I1087 HydrophobicContact CG-CD1 3.38Å; R1043-E1091 IonicContact CZ-OE1 3.96Å; R1043-E1091 IonicContact NE-OE1 2.74Å; R1043-E1091 IonicContact NH2-OE1 2.77Å; R1043-E1091 PolarHBondContact NH2-OE1 3.19Å
1044	G	75	Confident	82.5	Confident	15 Å²	15	44.1 Å²	44.1	16%	0.155	23%	0.234	C	C	.	.			trans	155.3	-19.8	166.6	0	0	0	0	0	115.5	R1071 E1083	G1044-R1071 VanDerWaalsContact C-CZ 3.45Å; G1044-R1071 PolarHBondContact O-NH2 2.88Å; G1044-E1083 VanDerWaalsContact CA-CD 3.43Å; G1044-E1083 WeakPolarHBondContact CA-OE1 3.47Å; G1044-E1083 VanDerWaalsContact CA-OE2 3.3Å; G1044-E1083 WeakPolarHBondContact CA-OE2 3.45Å
1045	H	81.8	Confident	82.4	Confident	9 Å²	9	39.1 Å²	39.1	4%	0.042	20%	0.199	C	C	.	.			trans	-59.4	139.2	168.2	-80	-60.2	0	0	0	110.5	R1026 V1049 S1063 S1065 D1067 S1069 R1071 W1073	R1026-H1045 WeakPolarHBondContact CB-O 3.4Å; H1045-V1049 HydrophobicContact CB-CG2 4.42Å; H1045-S1063 PolarHBondContact CD2-OG 3.38Å; H1045-S1063 PolarHBondContact CE1-O 3.36Å; H1045-S1063 VanDerWaalsContact CE1-O 3.28Å; H1045-S1063 WeakPolarHBondContact NE2-CA 3.45Å; H1045-S1063 WeakPolarHBondContact NE2-CB 3.42Å; H1045-S1063 PolarHBondContact NE2-O 3.32Å; H1045-S1063 PolarHBondContact NE2-OG 2.93Å; H1045-S1065 WeakPolarHBondContact ND1-CB 3.37Å; H1045-D1067 IonicContact ND1-OD1 3.61Å; H1045-D1067 IonicContact ND1-OD2 3.68Å; H1045-S1069 PolarHBondContact CE1-O 2.91Å; H1045-S1069 PolarHBondContact CE1-OG 2.72Å; H1045-S1069 PolarHBondContact ND1-OG 3.42Å; H1045-R1071 WeakPolarHBondContact CE1-CG 3.48Å; H1045-R1071 PolarHBondContact CE1-N 3.28Å; H1045-W1073 AromaticContact NE2-NE1 3.99Å
1046	S	82.4	Confident	82.2	Confident	79 Å²	79	39.5 Å²	39.5	55%	0.552	21%	0.205	S	C	*	.	S	Bend	trans	-87.7	-17.8	-176.4	64.2	0	0	0	0	113	R1026 D1067	R1026-S1046 WeakPolarHBondContact CD-O 3.45Å; R1026-S1046 PolarHBondContact NE-O 3.22Å; R1026-S1046 VanDerWaalsContact NE-O 3.13Å; S1046-D1067 PolarHBondContact N-OD2 2.95Å; S1046-D1067 WeakPolarHBondContact OG-CB 3.1Å; S1046-D1067 VanDerWaalsContact OG-CG 3.29Å; S1046-D1067 PolarHBondContact OG-OD2 3.23Å
1047	D	84.3	Confident	81.8	Confident	32 Å²	32	40 Å²	40	17%	0.171	21%	0.208	C	C	.	.	S	Bend	trans	-136.1	-179.2	169.5	-157.1	3.2	0	0	0	111.9	S1065 K1066 D1067	D1047-S1065 PolarHBondContact O-OG 2.93Å; D1047-K1066 HydrophobicContact CB-CB 4.27Å; D1047-K1066 IonicContact OD1-NZ 2.71Å; D1047-K1066 WeakPolarHBondContact OD2-CD 3.45Å; D1047-K1066 WeakPolarHBondContact OD2-CG 3.49Å; D1047-K1066 IonicContact OD2-NZ 3.47Å; D1047-K1066 PolarHBondContact OD2-NZ 3.17Å; D1047-D1067 HydrophobicContact CB-CB 3.96Å
1048	W	85.9	Confident	81.6	Confident	87 Å²	87	36.1 Å²	36.1	33%	0.33	19%	0.193	S	C	.	.			trans	-49.7	131.2	-175.4	-60.9	-16.8	0	0	0	114.8	F768 Y1024 S1065 K1066	F768-W1048 HydrophobicContact CD2-CZ3 4.49Å; Y1024-W1048 HydrophobicContact CD1-CB 3.69Å; Y1024-W1048 HydrophobicContact CD1-CD2 4.34Å; Y1024-W1048 AromaticContact CD1-CG 3.98Å; Y1024-W1048 HydrophobicContact CD1-CG 3.98Å; Y1024-W1048 HydrophobicContact CD2-CD2 4.42Å; Y1024-W1048 HydrophobicContact CD2-CE3 4.49Å; Y1024-W1048 HydrophobicContact CE1-CB 4.31Å; Y1024-W1048 HydrophobicContact CG-CB 4.18Å; Y1024-W1048 HydrophobicContact CG-CD2 4.11Å; Y1024-W1048 HydrophobicContact CG-CE3 4.49Å; Y1024-W1048 AromaticContact CG-CG 3.96Å; Y1024-W1048 HydrophobicContact CG-CG 3.96Å; W1048-S1065 VanDerWaalsContact O-CA 3.3Å; W1048-S1065 WeakPolarHBondContact O-CA 3.49Å; W1048-S1065 PolarHBondContact O-OG 3.45Å; W1048-S1065 VanDerWaalsContact O-OG 3.11Å; W1048-K1066 HydrophobicContact CB-CB 4.41Å; W1048-K1066 HydrophobicContact CD2-CD 4.45Å; W1048-K1066 HydrophobicContact CE3-CD 3.83Å; W1048-K1066 HydrophobicContact CZ3-CD 4.38Å; W1048-K1066 PolarHBondContact O-N 3.49Å
1049	V	85.8	Confident	81.3	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	127.7	171.3	-174.4	0	0	0	0	109.4	S1008 S1023 V1028 H1045 V1052 S1064	S1008-V1049 VanDerWaalsContact CB-O 3.23Å; S1008-V1049 WeakPolarHBondContact CB-O 3.38Å; S1008-V1049 PolarHBondContact OG-O 3.48Å; S1023-V1049 PolarHBondContact O-N 3.18Å; V1028-V1049 HydrophobicContact CG2-CG1 4.06Å; V1028-V1049 HydrophobicContact CG2-CG2 4.15Å; H1045-V1049 HydrophobicContact CB-CG2 4.42Å; V1049-V1052 HydrophobicContact CG1-CG2 3.75Å; V1049-S1064 CarbonylContact C-O 3.56Å; V1049-S1064 VanDerWaalsContact CA-O 3.31Å; V1049-S1064 WeakPolarHBondContact CA-O 3.44Å; V1049-S1064 VanDerWaalsContact CG1-O 3.3Å; V1049-S1064 WeakPolarHBondContact CG1-O 3.31Å
1050	T	83.6	Confident	81.4	Confident	16 Å²	16	33.4 Å²	33.4	10%	0.098	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-44.9	-171.9	44.8	0	0	0	0	113.4	S1064 K1066	T1050-S1064 PolarHBondContact N-O 3.19Å; T1050-S1064 PolarHBondContact OG1-O 3.03Å; T1050-S1064 PolarHBondContact OG1-OG 3.2Å; T1050-K1066 HydrophobicContact CG2-CB 4.25Å
1051	D	84.6	Confident	81.7	Confident	3 Å²	3	32.3 Å²	32.3	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	160.3	170.5	-144.2	-6.4	0	0	0	111.3	R769 K774 R919 C1009 S1064	R769-D1051 IonicContact CZ-OD2 3.74Å; R769-D1051 IonicContact NE-OD2 3.99Å; R769-D1051 IonicContact NH2-OD2 3.05Å; R769-D1051 PolarHBondContact NH2-OD2 3.22Å; K774-D1051 WeakPolarHBondContact CD-OD2 3.36Å; R919-D1051 IonicContact CZ-OD1 3.2Å; R919-D1051 IonicContact CZ-OD2 2.68Å; R919-D1051 IonicContact NH1-OD1 2.7Å; R919-D1051 PolarHBondContact NH1-OD1 3.07Å; R919-D1051 IonicContact NH1-OD2 3.8Å; R919-D1051 IonicContact NH2-OD1 3.16Å; R919-D1051 PolarHBondContact NH2-OD1 3.44Å; R919-D1051 IonicContact NH2-OD2 2.78Å; R919-D1051 PolarHBondContact NH2-OD2 3.39Å; C1009-D1051 WeakPolarHBondContact CB-OD1 3.35Å; D1051-S1064 PolarHBondContact N-OG 3.17Å; D1051-S1064 VanDerWaalsContact N-OG 3.12Å; D1051-S1064 PolarHBondContact O-N 3.25Å; D1051-S1064 PolarHBondContact O-OG 3.48Å
1052	V	87.5	Confident	81.7	Confident	5 Å²	5	31.9 Å²	31.9	3%	0.03	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	147.8	-177.2	177.3	0	0	0	0	109.4	C1009 V1011 V1020 V1028 V1049 V1061 V1062	C1009-V1052 VanDerWaalsContact SG-CG2 3.56Å; V1011-V1052 VanDerWaalsContact CG2-O 3.25Å; V1011-V1052 WeakPolarHBondContact CG2-O 3.4Å; V1020-V1052 HydrophobicContact CG1-CG1 3.67Å; V1028-V1052 HydrophobicContact CG1-CG1 4.28Å; V1028-V1052 HydrophobicContact CG1-CG2 4.24Å; V1028-V1052 HydrophobicContact CG2-CG2 4.09Å; V1049-V1052 HydrophobicContact CG1-CG2 3.75Å; V1052-V1061 HydrophobicContact CG1-CG1 3.92Å; V1052-V1062 CarbonylContact C-O 3.5Å; V1052-V1062 WeakPolarHBondContact CA-O 3.45Å; V1052-V1062 WeakPolarHBondContact CG1-O 3.39Å
1053	S	86.1	Confident	81.8	Confident	25 Å²	25	31.8 Å²	31.8	18%	0.175	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	154.4	168.4	-162.7	0	0	0	0	111.7	L777 V1062	L777-S1053 VanDerWaalsContact CD2-CB 3.43Å; S1053-V1062 PolarHBondContact N-O 2.95Å; S1053-V1062 PolarHBondContact O-N 3.25Å
1054	L	83.9	Confident	81.9	Confident	17 Å²	17	27.9 Å²	27.9	9%	0.089	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	147.5	176.1	-164.6	96.3	0	0	0	109.6	V1011 S1013 L1018 V1020 V1061	V1011-L1054 HydrophobicContact CG1-CB 3.87Å; S1013-L1054 VanDerWaalsContact CB-CD2 3.45Å; S1013-L1054 WeakPolarHBondContact OG-CD2 3.35Å; L1018-L1054 HydrophobicContact CD2-CD1 3.8Å; L1018-L1054 HydrophobicContact CG-CD1 4.24Å; V1020-L1054 HydrophobicContact CB-CD1 4.5Å; V1020-L1054 HydrophobicContact CG2-CD1 3.47Å; V1020-L1054 VanDerWaalsContact CG2-CD1 3.47Å; L1054-V1061 HydrophobicContact CD1-CG2 3.78Å
1055	S	80.1	Confident	82.3	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.014	15%	0.148	C	C	.	.			trans	-65	145.1	164.3	-171.6	0	0	0	0	113.4	W781 D1057 R1058 L1060	W781-S1055 WeakPolarHBondContact CH2-OG 3.29Å; W781-S1055 WeakPolarHBondContact CZ3-OG 3.48Å; S1055-D1057 VanDerWaalsContact C-N 3.28Å; S1055-D1057 VanDerWaalsContact CB-OD1 3.24Å; S1055-D1057 WeakPolarHBondContact CB-OD1 3.24Å; S1055-D1057 VanDerWaalsContact OG-CG 3.25Å; S1055-D1057 PolarHBondContact OG-N 2.91Å; S1055-D1057 PolarHBondContact OG-OD1 3.08Å; S1055-R1058 PolarHBondContact O-N 3.42Å; S1055-L1060 VanDerWaalsContact CB-O 3.24Å; S1055-L1060 WeakPolarHBondContact CB-O 3.38Å; S1055-L1060 PolarHBondContact N-O 3.11Å
1056	A	73.2	Confident	82.3	Confident	59 Å²	59	30.2 Å²	30.2	49%	0.488	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-40.6	160.8	0	0	0	0	0	111.6	E785 R1058	E785-A1056 HydrophobicContact CG-CB 4.2Å; E785-A1056 VanDerWaalsContact OE1-CB 3.31Å; E785-A1056 WeakPolarHBondContact OE1-CB 3.32Å; A1056-R1058 PolarHBondContact O-N 2.89Å
1057	D	72.4	Confident	82.1	Confident	58 Å²	58	28.9 Å²	28.9	31%	0.31	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	1.6	177.7	90.7	-14.1	0	0	0	114.5	S1055 K1059	S1055-D1057 VanDerWaalsContact C-N 3.28Å; S1055-D1057 VanDerWaalsContact CB-OD1 3.24Å; S1055-D1057 WeakPolarHBondContact CB-OD1 3.24Å; S1055-D1057 VanDerWaalsContact OG-CG 3.25Å; S1055-D1057 PolarHBondContact OG-N 2.91Å; S1055-D1057 PolarHBondContact OG-OD1 3.08Å; D1057-K1059 PolarHBondContact O-N 3.37Å; D1057-K1059 VanDerWaalsContact OD1-CB 3.29Å; D1057-K1059 WeakPolarHBondContact OD1-CB 3.38Å; D1057-K1059 WeakPolarHBondContact OD1-CG 3.48Å; D1057-K1059 PolarHBondContact OD1-N 3.3Å; D1057-K1059 WeakPolarHBondContact OD2-CD 3.49Å; D1057-K1059 WeakPolarHBondContact OD2-CG 3.32Å; D1057-K1059 IonicContact OD2-NZ 3.8Å; D1057-K1059 PolarHBondContact OD2-NZ 3.15Å
1058	R	73.9	Confident	81.7	Confident	64 Å²	64	29.7 Å²	29.7	24%	0.242	16%	0.163	C	C	.	.	S	Bend	trans	58.6	-4.8	-176.7	-59.1	164.2	161.9	-145	-5.6	116.7	S1013 D1015 D1017 S1055 A1056	S1013-R1058 WeakPolarHBondContact OG-CG 3.26Å; S1013-R1058 PolarHBondContact OG-NE 3.48Å; S1013-R1058 VanDerWaalsContact OG-NE 3.13Å; D1015-R1058 VanDerWaalsContact CB-NH2 3.27Å; D1015-R1058 PolarHBondContact O-NH2 3.07Å; D1015-R1058 IonicContact OD2-CZ 2.66Å; D1015-R1058 IonicContact OD2-NE 2.66Å; D1015-R1058 PolarHBondContact OD2-NE 3.18Å; D1015-R1058 IonicContact OD2-NH2 3.78Å; D1015-R1058 PolarHBondContact OD2-NH2 3.19Å; D1017-R1058 IonicContact OD2-CZ 2.65Å; D1017-R1058 IonicContact OD2-NH1 3.47Å; D1017-R1058 PolarHBondContact OD2-NH1 3.21Å; D1017-R1058 IonicContact OD2-NH2 3.08Å; D1017-R1058 PolarHBondContact OD2-NH2 2.7Å; S1055-R1058 PolarHBondContact O-N 3.42Å; A1056-R1058 PolarHBondContact O-N 2.89Å
1059	K	76.3	Confident	81.4	Confident	87 Å²	87	27.3 Å²	27.3	38%	0.378	16%	0.16	S	C	.	.	S	Bend	trans	-71.9	-34.1	-175.7	-57	-164.8	-162.5	90	0	112.7	D1057 V1075 Q1076	D1057-K1059 PolarHBondContact O-N 3.37Å; D1057-K1059 VanDerWaalsContact OD1-CB 3.29Å; D1057-K1059 WeakPolarHBondContact OD1-CB 3.38Å; D1057-K1059 WeakPolarHBondContact OD1-CG 3.48Å; D1057-K1059 PolarHBondContact OD1-N 3.3Å; D1057-K1059 WeakPolarHBondContact OD2-CD 3.49Å; D1057-K1059 WeakPolarHBondContact OD2-CG 3.32Å; D1057-K1059 IonicContact OD2-NZ 3.8Å; D1057-K1059 PolarHBondContact OD2-NZ 3.15Å; K1059-V1075 WeakPolarHBondContact O-CB 3.37Å; K1059-V1075 PolarHBondContact O-N 3.11Å; K1059-Q1076 HydrophobicContact CB-CG 4.29Å; K1059-Q1076 HydrophobicContact CG-CG 4.11Å
1060	L	82.1	Confident	81.3	Confident	23 Å²	23	29.8 Å²	29.8	12%	0.12	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.3	-171.4	-59.7	167.9	0	0	0	111.6	W781 L784 S1055 L1072 W1073 D1074	W781-L1060 HydrophobicContact CH2-CB 3.84Å; W781-L1060 HydrophobicContact CH2-CD1 4.23Å; W781-L1060 HydrophobicContact CZ2-CB 3.82Å; L784-L1060 HydrophobicContact CD1-CD1 3.68Å; S1055-L1060 VanDerWaalsContact CB-O 3.24Å; S1055-L1060 WeakPolarHBondContact CB-O 3.38Å; S1055-L1060 PolarHBondContact N-O 3.11Å; L1060-L1072 HydrophobicContact CB-CD1 3.9Å; L1060-L1072 HydrophobicContact CD1-CD1 4.16Å; L1060-L1072 HydrophobicContact CD2-CD1 4.03Å; L1060-L1072 HydrophobicContact CD2-CD2 4.36Å; L1060-L1072 HydrophobicContact CD2-CG 4.14Å; L1060-L1072 HydrophobicContact CG-CD1 4.24Å; L1060-W1073 WeakPolarHBondContact CA-O 3.07Å; L1060-D1074 HydrophobicContact CD2-CB 4.3Å
1061	V	85.4	Confident	81.2	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.6	167.3	160.9	0	0	0	0	107.7	V1020 V1028 L1030 V1052 L1054 W1073 V1075	V1020-V1061 HydrophobicContact CG1-CG1 4.12Å; V1020-V1061 HydrophobicContact CG1-CG2 4.37Å; V1020-V1061 HydrophobicContact CG2-CG2 4.1Å; V1028-V1061 HydrophobicContact CG1-CG1 4.24Å; L1030-V1061 HydrophobicContact CD2-CG2 4.23Å; V1052-V1061 HydrophobicContact CG1-CG1 3.92Å; L1054-V1061 HydrophobicContact CD1-CG2 3.78Å; V1061-W1073 HydrophobicContact CB-CB 4.41Å; V1061-W1073 PolarHBondContact N-O 3.39Å; V1061-W1073 PolarHBondContact O-N 3.3Å; V1061-V1075 HydrophobicContact CB-CG2 4.05Å; V1061-V1075 HydrophobicContact CG2-CG2 3.57Å
1062	V	84.9	Confident	81.2	Confident	4 Å²	4	36.3 Å²	36.3	2%	0.024	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.1	175.9	-174.7	0	0	0	0	108.8	L777 W781 V1052 S1053 V1070 R1071 L1072	L777-V1062 HydrophobicContact CD1-CG1 4.5Å; L777-V1062 HydrophobicContact CD2-CB 3.59Å; L777-V1062 HydrophobicContact CD2-CG1 3.51Å; L777-V1062 HydrophobicContact CG-CB 4.29Å; L777-V1062 HydrophobicContact CG-CG1 3.63Å; W781-V1062 HydrophobicContact CZ2-CG2 4.08Å; W781-V1062 VanDerWaalsContact NE1-CG2 3.35Å; V1052-V1062 CarbonylContact C-O 3.5Å; V1052-V1062 WeakPolarHBondContact CA-O 3.45Å; V1052-V1062 WeakPolarHBondContact CG1-O 3.39Å; S1053-V1062 PolarHBondContact N-O 2.95Å; S1053-V1062 PolarHBondContact O-N 3.25Å; V1062-V1070 HydrophobicContact CG1-CG1 3.38Å; V1062-R1071 CarbonylContact C-O 3.56Å; V1062-R1071 WeakPolarHBondContact CA-O 3.34Å; V1062-L1072 HydrophobicContact CG2-CD1 3.58Å
1063	S	86.1	Confident	81	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	144.3	177.9	65.4	0	0	0	0	113	H1045 V1070 R1071 W1073	H1045-S1063 PolarHBondContact CD2-OG 3.38Å; H1045-S1063 PolarHBondContact CE1-O 3.36Å; H1045-S1063 VanDerWaalsContact CE1-O 3.28Å; H1045-S1063 WeakPolarHBondContact NE2-CA 3.45Å; H1045-S1063 WeakPolarHBondContact NE2-CB 3.42Å; H1045-S1063 PolarHBondContact NE2-O 3.32Å; H1045-S1063 PolarHBondContact NE2-OG 2.93Å; S1063-V1070 CarbonylContact O-C 3.56Å; S1063-V1070 WeakPolarHBondContact O-CA 3.4Å; S1063-R1071 PolarHBondContact N-O 3.08Å; S1063-R1071 PolarHBondContact O-N 3.33Å; S1063-W1073 PolarHBondContact OG-NE1 3.07Å
1064	S	84.5	Confident	80.7	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.007	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	144	176.1	50.3	0	0	0	0	111.2	L777 V1049 T1050 D1051	L777-S1064 WeakPolarHBondContact CD1-OG 3.44Å; V1049-S1064 CarbonylContact C-O 3.56Å; V1049-S1064 VanDerWaalsContact CA-O 3.31Å; V1049-S1064 WeakPolarHBondContact CA-O 3.44Å; V1049-S1064 VanDerWaalsContact CG1-O 3.3Å; V1049-S1064 WeakPolarHBondContact CG1-O 3.31Å; T1050-S1064 PolarHBondContact N-O 3.19Å; T1050-S1064 PolarHBondContact OG1-O 3.03Å; T1050-S1064 PolarHBondContact OG1-OG 3.2Å; D1051-S1064 PolarHBondContact N-OG 3.17Å; D1051-S1064 VanDerWaalsContact N-OG 3.12Å; D1051-S1064 PolarHBondContact O-N 3.25Å; D1051-S1064 PolarHBondContact O-OG 3.48Å
1065	S	84.6	Confident	80.2	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.014	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	154.5	174.3	173.5	0	0	0	0	112.6	L773 H1045 D1047 W1048 D1067 G1068 S1069	L773-S1065 VanDerWaalsContact CD2-O 3.24Å; L773-S1065 WeakPolarHBondContact CD2-O 3.24Å; H1045-S1065 WeakPolarHBondContact ND1-CB 3.37Å; D1047-S1065 PolarHBondContact O-OG 2.93Å; W1048-S1065 VanDerWaalsContact O-CA 3.3Å; W1048-S1065 WeakPolarHBondContact O-CA 3.49Å; W1048-S1065 PolarHBondContact O-OG 3.45Å; W1048-S1065 VanDerWaalsContact O-OG 3.11Å; S1065-D1067 WeakPolarHBondContact CB-OD1 3.26Å; S1065-D1067 PolarHBondContact O-N 3.46Å; S1065-D1067 VanDerWaalsContact O-N 3.14Å; S1065-D1067 PolarHBondContact OG-N 2.98Å; S1065-D1067 VanDerWaalsContact OG-N 3.17Å; S1065-D1067 PolarHBondContact OG-OD1 3Å; S1065-G1068 PolarHBondContact O-N 3.37Å; S1065-S1069 PolarHBondContact N-O 2.94Å; S1065-S1069 VanDerWaalsContact N-O 3.16Å
1066	K	81.6	Confident	79.6	Confident	70 Å²	70	44.6 Å²	44.6	30%	0.304	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-15.4	169.3	-178.8	168.5	158.8	-87.3	0	113.2	F768 D1047 W1048 T1050 G1068	F768-K1066 HydrophobicContact CB-CD 4Å; F768-K1066 HydrophobicContact CB-CG 4.41Å; F768-K1066 HydrophobicContact CD1-CD 4.23Å; F768-K1066 HydrophobicContact CD2-CD 3.84Å; F768-K1066 HydrophobicContact CE2-CD 4.36Å; F768-K1066 HydrophobicContact CG-CD 3.78Å; F768-K1066 HydrophobicContact CG-CG 4.43Å; D1047-K1066 HydrophobicContact CB-CB 4.27Å; D1047-K1066 IonicContact OD1-NZ 2.71Å; D1047-K1066 WeakPolarHBondContact OD2-CD 3.45Å; D1047-K1066 WeakPolarHBondContact OD2-CG 3.49Å; D1047-K1066 IonicContact OD2-NZ 3.47Å; D1047-K1066 PolarHBondContact OD2-NZ 3.17Å; W1048-K1066 HydrophobicContact CB-CB 4.41Å; W1048-K1066 HydrophobicContact CD2-CD 4.45Å; W1048-K1066 HydrophobicContact CE3-CD 3.83Å; W1048-K1066 HydrophobicContact CZ3-CD 4.38Å; W1048-K1066 PolarHBondContact O-N 3.49Å; T1050-K1066 HydrophobicContact CG2-CB 4.25Å; K1066-G1068 PolarHBondContact O-N 3.25Å
1067	D	77.3	Confident	78.9	Confident	51 Å²	51	45.4 Å²	45.4	27%	0.273	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-7.3	170.6	69.2	18.8	0	0	0	114.5	H1045 S1046 D1047 S1065 S1069	H1045-D1067 IonicContact ND1-OD1 3.61Å; H1045-D1067 IonicContact ND1-OD2 3.68Å; S1046-D1067 PolarHBondContact N-OD2 2.95Å; S1046-D1067 WeakPolarHBondContact OG-CB 3.1Å; S1046-D1067 VanDerWaalsContact OG-CG 3.29Å; S1046-D1067 PolarHBondContact OG-OD2 3.23Å; D1047-D1067 HydrophobicContact CB-CB 3.96Å; S1065-D1067 WeakPolarHBondContact CB-OD1 3.26Å; S1065-D1067 PolarHBondContact O-N 3.46Å; S1065-D1067 VanDerWaalsContact O-N 3.14Å; S1065-D1067 PolarHBondContact OG-N 2.98Å; S1065-D1067 VanDerWaalsContact OG-N 3.17Å; S1065-D1067 PolarHBondContact OG-OD1 3Å; D1067-S1069 VanDerWaalsContact OD1-CB 3.3Å; D1067-S1069 WeakPolarHBondContact OD1-CB 3.47Å; D1067-S1069 PolarHBondContact OD1-N 3.13Å; D1067-S1069 PolarHBondContact OD1-OG 3.32Å
1068	G	76.7	Confident	78.3	Confident	50 Å²	50	43.6 Å²	43.6	52%	0.515	23%	0.228	S	C	.	.	S	Bend	trans	88.4	1.2	178.8	0	0	0	0	0	114.2	S1065 K1066	S1065-G1068 PolarHBondContact O-N 3.37Å; K1066-G1068 PolarHBondContact O-N 3.25Å
1069	S	79.2	Confident	77	Confident	37 Å²	37	47 Å²	47	26%	0.259	25%	0.247	S	C	.	.			trans	-91.7	133.8	173.2	73.9	0	0	0	0	112.7	L773 H1045 S1065 D1067	L773-S1069 WeakPolarHBondContact CD2-O 3.44Å; H1045-S1069 PolarHBondContact CE1-O 2.91Å; H1045-S1069 PolarHBondContact CE1-OG 2.72Å; H1045-S1069 PolarHBondContact ND1-OG 3.42Å; S1065-S1069 PolarHBondContact N-O 2.94Å; S1065-S1069 VanDerWaalsContact N-O 3.16Å; D1067-S1069 VanDerWaalsContact OD1-CB 3.3Å; D1067-S1069 WeakPolarHBondContact OD1-CB 3.47Å; D1067-S1069 PolarHBondContact OD1-N 3.13Å; D1067-S1069 PolarHBondContact OD1-OG 3.32Å
1070	V	83.3	Confident	75.5	Confident	52 Å²	52	49.4 Å²	49.4	32%	0.315	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	134.6	155.8	-174.4	0	0	0	0	106.7	L773 L776 V1062 S1063	L773-V1070 HydrophobicContact CB-CG2 4.1Å; L773-V1070 HydrophobicContact CD2-CG2 3.96Å; L773-V1070 HydrophobicContact CG-CG2 3.68Å; L776-V1070 HydrophobicContact CB-CG2 4.33Å; L776-V1070 HydrophobicContact CD1-CG2 4.45Å; V1062-V1070 HydrophobicContact CG1-CG1 3.38Å; S1063-V1070 CarbonylContact O-C 3.56Å; S1063-V1070 WeakPolarHBondContact O-CA 3.4Å
1071	R	81.3	Confident	74.2	Confident	74 Å²	74	49.1 Å²	49.1	28%	0.279	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	132.9	175.1	-73.5	-175.4	174.9	-141.6	3.1	110.9	G1044 H1045 V1062 S1063 W1073 E1083	G1044-R1071 VanDerWaalsContact C-CZ 3.45Å; G1044-R1071 PolarHBondContact O-NH2 2.88Å; H1045-R1071 WeakPolarHBondContact CE1-CG 3.48Å; H1045-R1071 PolarHBondContact CE1-N 3.28Å; V1062-R1071 CarbonylContact C-O 3.56Å; V1062-R1071 WeakPolarHBondContact CA-O 3.34Å; S1063-R1071 PolarHBondContact N-O 3.08Å; S1063-R1071 PolarHBondContact O-N 3.33Å; R1071-W1073 HydrophobicContact CB-CZ2 3.99Å; R1071-W1073 VanDerWaalsContact CD-CZ2 3.49Å; R1071-W1073 HydrophobicContact CG-CZ2 4.41Å; R1071-E1083 IonicContact CZ-OE2 3.63Å; R1071-E1083 IonicContact NH1-OE2 2.73Å; R1071-E1083 PolarHBondContact NH1-OE2 3.46Å; R1071-E1083 IonicContact NH2-OE2 2.76Å
1072	L	84.6	Confident	72.5	Confident	81 Å²	81	53.2 Å²	53.2	42%	0.424	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	134.8	168.7	-174.3	66.1	0	0	0	108.8	L1060 V1062	L1060-L1072 HydrophobicContact CB-CD1 3.9Å; L1060-L1072 HydrophobicContact CD1-CD1 4.16Å; L1060-L1072 HydrophobicContact CD2-CD1 4.03Å; L1060-L1072 HydrophobicContact CD2-CD2 4.36Å; L1060-L1072 HydrophobicContact CD2-CG 4.14Å; L1060-L1072 HydrophobicContact CG-CD1 4.24Å; V1062-L1072 HydrophobicContact CG2-CD1 3.58Å
1073	W	82.8	Confident	70.9	Confident	11 Å²	11	56.4 Å²	56.4	4%	0.042	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.6	179.3	-48.9	86.2	0	0	0	109.6	L1042 R1043 H1045 L1060 V1061 S1063 R1071 I1081	L1042-W1073 HydrophobicContact CB-CD2 4.18Å; L1042-W1073 HydrophobicContact CB-CE3 4.06Å; L1042-W1073 HydrophobicContact CB-CH2 4.31Å; L1042-W1073 HydrophobicContact CB-CZ2 4.44Å; L1042-W1073 HydrophobicContact CB-CZ3 4.13Å; L1042-W1073 HydrophobicContact CD1-CB 3.88Å; L1042-W1073 HydrophobicContact CD1-CD2 3.98Å; L1042-W1073 HydrophobicContact CD1-CE3 4.38Å; L1042-W1073 HydrophobicContact CD1-CG 3.78Å; L1042-W1073 HydrophobicContact CD2-CD2 4.36Å; L1042-W1073 HydrophobicContact CD2-CE3 3.94Å; L1042-W1073 HydrophobicContact CG-CD2 4.41Å; L1042-W1073 HydrophobicContact CG-CE3 4.36Å; R1043-W1073 WeakPolarHBondContact O-CH2 3.36Å; H1045-W1073 AromaticContact NE2-NE1 3.99Å; L1060-W1073 WeakPolarHBondContact CA-O 3.07Å; V1061-W1073 HydrophobicContact CB-CB 4.41Å; V1061-W1073 PolarHBondContact N-O 3.39Å; V1061-W1073 PolarHBondContact O-N 3.3Å; S1063-W1073 PolarHBondContact OG-NE1 3.07Å; R1071-W1073 HydrophobicContact CB-CZ2 3.99Å; R1071-W1073 VanDerWaalsContact CD-CZ2 3.49Å; R1071-W1073 HydrophobicContact CG-CZ2 4.41Å; W1073-I1081 HydrophobicContact CE3-CD1 4.27Å; W1073-I1081 HydrophobicContact CE3-CG2 3.91Å; W1073-I1081 HydrophobicContact CZ3-CG2 3.87Å
1074	D	81.6	Confident	69.2	Low	51 Å²	51	56.5 Å²	56.5	27%	0.273	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	113.6	173.7	-173.8	-20.4	0	0	0	110.4	L1060 Q1076 N1077 V1078	L1060-D1074 HydrophobicContact CD2-CB 4.3Å; D1074-Q1076 WeakPolarHBondContact OD1-CA 3.48Å; D1074-Q1076 WeakPolarHBondContact OD1-CB 3.35Å; D1074-Q1076 PolarHBondContact OD1-N 3.06Å; D1074-N1077 HydrophobicContact CB-CB 4.29Å; D1074-N1077 PolarHBondContact OD1-N 3.16Å; D1074-N1077 WeakPolarHBondContact OD2-CB 3.33Å; D1074-N1077 PolarHBondContact OD2-ND2 3.03Å; D1074-V1078 WeakPolarHBondContact O-CG2 3.38Å; D1074-V1078 PolarHBondContact O-N 2.74Å
1075	V	72.9	Confident	67.3	Low	31 Å²	31	61 Å²	61	19%	0.188	32%	0.322	C	S	.	.	S	Bend	trans	-79.2	-20.7	180	-176.7	0	0	0	0	111.8	L1018 L1030 K1059 V1061 V1078	L1018-V1075 HydrophobicContact CD2-CG1 4.23Å; L1030-V1075 HydrophobicContact CD1-CG1 3.81Å; L1030-V1075 HydrophobicContact CD1-CG2 4.38Å; K1059-V1075 WeakPolarHBondContact O-CB 3.37Å; K1059-V1075 PolarHBondContact O-N 3.11Å; V1061-V1075 HydrophobicContact CB-CG2 4.05Å; V1061-V1075 HydrophobicContact CG2-CG2 3.57Å; V1075-V1078 VanDerWaalsContact O-CG2 3.24Å; V1075-V1078 WeakPolarHBondContact O-CG2 2.89Å
1076	Q	66.3	Low	65.3	Low	131 Å²	131	67.6 Å²	67.6	61%	0.612	35%	0.352	S	S	*	.	S	Bend	trans	-82.3	-45.6	171.4	-62.5	-163.4	-21	0	0	111.2	K1059 D1074 V1078	K1059-Q1076 HydrophobicContact CB-CG 4.29Å; K1059-Q1076 HydrophobicContact CG-CG 4.11Å; D1074-Q1076 WeakPolarHBondContact OD1-CA 3.48Å; D1074-Q1076 WeakPolarHBondContact OD1-CB 3.35Å; D1074-Q1076 PolarHBondContact OD1-N 3.06Å; Q1076-V1078 VanDerWaalsContact C-N 3.31Å; Q1076-V1078 PolarHBondContact O-N 3.32Å
1077	N	58.7	Low	63.6	Low	75 Å²	75	65.9 Å²	65.9	40%	0.401	35%	0.346	S	S	.	.	S	Bend	trans	-92.9	35.7	178.2	-64.6	-72.9	0	0	0	113.8	D1074 E1079 Q1080	D1074-N1077 HydrophobicContact CB-CB 4.29Å; D1074-N1077 PolarHBondContact OD1-N 3.16Å; D1074-N1077 WeakPolarHBondContact OD2-CB 3.33Å; D1074-N1077 PolarHBondContact OD2-ND2 3.03Å; N1077-E1079 PolarHBondContact O-N 2.9Å; N1077-Q1080 HydrophobicContact CB-CG 4.41Å; N1077-Q1080 PolarHBondContact O-N 2.96Å; N1077-Q1080 PolarHBondContact OD1-NE2 3.39Å
1078	V	59.4	Low	62.1	Low	21 Å²	21	68 Å²	68	13%	0.127	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-49.9	-29.4	176.3	162.2	0	0	0	0	113.6	L1040 D1074 V1075 Q1076 Q1080 I1081 V1084	L1040-V1078 HydrophobicContact CD1-CG1 3.6Å; L1040-V1078 HydrophobicContact CD2-CB 4.2Å; L1040-V1078 HydrophobicContact CD2-CG1 3.49Å; L1040-V1078 VanDerWaalsContact CD2-CG1 3.49Å; L1040-V1078 HydrophobicContact CD2-CG2 3.54Å; L1040-V1078 HydrophobicContact CG-CG1 4.2Å; D1074-V1078 WeakPolarHBondContact O-CG2 3.38Å; D1074-V1078 PolarHBondContact O-N 2.74Å; V1075-V1078 VanDerWaalsContact O-CG2 3.24Å; V1075-V1078 WeakPolarHBondContact O-CG2 2.89Å; Q1076-V1078 VanDerWaalsContact C-N 3.31Å; Q1076-V1078 PolarHBondContact O-N 3.32Å; V1078-Q1080 VanDerWaalsContact C-N 3.26Å; V1078-Q1080 PolarHBondContact O-N 3.23Å; V1078-I1081 HydrophobicContact CG2-CD1 4.35Å; V1078-I1081 PolarHBondContact O-N 3.29Å; V1078-V1084 HydrophobicContact CG1-CG1 4.01Å
1079	E	47.7	Very low	60.5	Low	135 Å²	135	69.9 Å²	69.9	63%	0.631	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-70.7	-18.8	178.5	-53.1	-126.7	109.2	0	0	113.6	N1077 M1085 K1088	N1077-E1079 PolarHBondContact O-N 2.9Å; E1079-M1085 WeakPolarHBondContact O-CG 3.4Å; E1079-K1088 IonicContact OE1-NZ 3.29Å; E1079-K1088 PolarHBondContact OE1-NZ 2.86Å
1080	Q	44.6	Very low	59	Low	137 Å²	137	71.2 Å²	71.2	64%	0.64	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-94.7	-11.3	178.6	-56.5	-164.8	43.1	0	0	113.4	N1077 V1078 P1082	N1077-Q1080 HydrophobicContact CB-CG 4.41Å; N1077-Q1080 PolarHBondContact O-N 2.96Å; N1077-Q1080 PolarHBondContact OD1-NE2 3.39Å; V1078-Q1080 VanDerWaalsContact C-N 3.26Å; V1078-Q1080 PolarHBondContact O-N 3.23Å; Q1080-P1082 VanDerWaalsContact O-CD 3.25Å; Q1080-P1082 WeakPolarHBondContact O-CD 3.25Å
1081	I	55.4	Low	57.3	Low	18 Å²	18	73.5 Å²	73.5	9%	0.092	39%	0.385	C	S	.	.			trans	-65.9	115.4	178.2	-57.7	174.7	0	0	0	108.8	L1042 W1073 V1078 E1083 V1084 M1085	L1042-I1081 HydrophobicContact CD2-CD1 3.58Å; W1073-I1081 HydrophobicContact CE3-CD1 4.27Å; W1073-I1081 HydrophobicContact CE3-CG2 3.91Å; W1073-I1081 HydrophobicContact CZ3-CG2 3.87Å; V1078-I1081 HydrophobicContact CG2-CD1 4.35Å; V1078-I1081 PolarHBondContact O-N 3.29Å; I1081-E1083 VanDerWaalsContact C-N 3.28Å; I1081-E1083 PolarHBondContact O-N 2.94Å; I1081-E1083 VanDerWaalsContact O-N 3.16Å; I1081-V1084 HydrophobicContact CB-CB 4Å; I1081-V1084 HydrophobicContact CB-CG2 3.82Å; I1081-V1084 HydrophobicContact CD1-CG2 4.28Å; I1081-V1084 HydrophobicContact CG2-CB 4.23Å; I1081-V1084 HydrophobicContact CG2-CG2 3.71Å; I1081-V1084 PolarHBondContact O-N 3.17Å; I1081-V1084 VanDerWaalsContact O-N 3.09Å; I1081-M1085 PolarHBondContact O-N 3.12Å
1082	P	48.2	Very low	55.7	Low	86 Å²	86	73.4 Å²	73.4	56%	0.558	41%	0.407	S	S	*	.	H	α-helix	trans	-60.4	-35.5	-167.6	-27.5	36	0	0	0	114.3	Q1080 M1085 Q1086	Q1080-P1082 VanDerWaalsContact O-CD 3.25Å; Q1080-P1082 WeakPolarHBondContact O-CD 3.25Å; P1082-M1085 PolarHBondContact O-N 2.65Å; P1082-Q1086 PolarHBondContact O-N 2.76Å
1083	E	51.4	Low	53.8	Low	70 Å²	70	73.9 Å²	73.9	33%	0.327	41%	0.414	S	S	.	.	H	α-helix	trans	-79.5	-29.3	-177.4	-57.9	-176.8	91.8	0	0	111.4	R1043 G1044 R1071 I1081 Q1086 I1087	R1043-E1083 WeakPolarHBondContact O-CB 3.43Å; G1044-E1083 VanDerWaalsContact CA-CD 3.43Å; G1044-E1083 WeakPolarHBondContact CA-OE1 3.47Å; G1044-E1083 VanDerWaalsContact CA-OE2 3.3Å; G1044-E1083 WeakPolarHBondContact CA-OE2 3.45Å; R1071-E1083 IonicContact CZ-OE2 3.63Å; R1071-E1083 IonicContact NH1-OE2 2.73Å; R1071-E1083 PolarHBondContact NH1-OE2 3.46Å; R1071-E1083 IonicContact NH2-OE2 2.76Å; I1081-E1083 VanDerWaalsContact C-N 3.28Å; I1081-E1083 PolarHBondContact O-N 2.94Å; I1081-E1083 VanDerWaalsContact O-N 3.16Å; E1083-Q1086 PolarHBondContact O-N 3.22Å; E1083-I1087 WeakPolarHBondContact O-CD1 3.46Å; E1083-I1087 WeakPolarHBondContact O-CG1 3.3Å; E1083-I1087 PolarHBondContact O-N 2.81Å; E1083-I1087 VanDerWaalsContact O-N 3.15Å
1084	V	50.9	Low	52	Low	3 Å²	3	75.6 Å²	75.6	2%	0.018	43%	0.434	C	S	.	.	H	α-helix	trans	-68.7	-39.1	170.1	175	0	0	0	0	111	L1040 L1042 V1078 I1081 Q1086 I1087 K1088	L1040-V1084 HydrophobicContact CD1-CG1 3.87Å; L1042-V1084 HydrophobicContact CD2-CG2 3.77Å; V1078-V1084 HydrophobicContact CG1-CG1 4.01Å; I1081-V1084 HydrophobicContact CB-CB 4Å; I1081-V1084 HydrophobicContact CB-CG2 3.82Å; I1081-V1084 HydrophobicContact CD1-CG2 4.28Å; I1081-V1084 HydrophobicContact CG2-CB 4.23Å; I1081-V1084 HydrophobicContact CG2-CG2 3.71Å; I1081-V1084 PolarHBondContact O-N 3.17Å; I1081-V1084 VanDerWaalsContact O-N 3.09Å; V1084-Q1086 VanDerWaalsContact C-N 3.33Å; V1084-Q1086 PolarHBondContact O-N 3.24Å; V1084-I1087 PolarHBondContact O-N 3.39Å; V1084-K1088 HydrophobicContact CG1-CD 4.31Å; V1084-K1088 HydrophobicContact CG1-CG 4.36Å; V1084-K1088 PolarHBondContact O-N 3.44Å
1085	M	44.7	Very low	50.6	Low	95 Å²	95	76 Å²	76	47%	0.468	44%	0.439	S	S	.	.	H	α-helix	trans	-59.8	-43.7	173.9	-75.5	-166.4	-78.7	0	0	111.7	E1079 I1081 P1082 I1087 K1088 S1089	E1079-M1085 WeakPolarHBondContact O-CG 3.4Å; I1081-M1085 PolarHBondContact O-N 3.12Å; P1082-M1085 PolarHBondContact O-N 2.65Å; M1085-I1087 VanDerWaalsContact C-N 3.3Å; M1085-I1087 PolarHBondContact O-N 3.05Å; M1085-K1088 PolarHBondContact O-N 3.28Å; M1085-S1089 WeakPolarHBondContact O-CB 3.41Å; M1085-S1089 PolarHBondContact O-N 3.08Å; M1085-S1089 PolarHBondContact O-OG 2.92Å
1086	Q	42.5	Very low	49.7	Very low	140 Å²	140	79.5 Å²	79.5	65%	0.654	45%	0.453	S	S	*	.	H	α-helix	trans	-60.5	-40.6	176	-69.6	-174.5	19.4	0	0	111.6	P1082 E1083 V1084 S1089 G1090	P1082-Q1086 PolarHBondContact O-N 2.76Å; E1083-Q1086 PolarHBondContact O-N 3.22Å; V1084-Q1086 VanDerWaalsContact C-N 3.33Å; V1084-Q1086 PolarHBondContact O-N 3.24Å; Q1086-S1089 CarbonylContact O-C 3.59Å; Q1086-S1089 PolarHBondContact O-N 3.08Å; Q1086-S1089 PolarHBondContact O-OG 3.29Å; Q1086-G1090 PolarHBondContact O-N 3.15Å
1087	I	46.4	Very low	49.2	Very low	34 Å²	34	79.2 Å²	79.2	17%	0.174	45%	0.454	C	S	.	.	H	α-helix	trans	-74	-41.4	179.6	-63.8	161	0	0	0	112.2	R1043 E1083 V1084 M1085 S1089 G1090 E1091	R1043-I1087 HydrophobicContact CB-CD1 3.71Å; R1043-I1087 HydrophobicContact CG-CD1 3.38Å; E1083-I1087 WeakPolarHBondContact O-CD1 3.46Å; E1083-I1087 WeakPolarHBondContact O-CG1 3.3Å; E1083-I1087 PolarHBondContact O-N 2.81Å; E1083-I1087 VanDerWaalsContact O-N 3.15Å; V1084-I1087 PolarHBondContact O-N 3.39Å; M1085-I1087 VanDerWaalsContact C-N 3.3Å; M1085-I1087 PolarHBondContact O-N 3.05Å; I1087-S1089 PolarHBondContact O-N 2.78Å; I1087-S1089 VanDerWaalsContact O-N 3.16Å; I1087-G1090 PolarHBondContact O-N 3.11Å; I1087-E1091 HydrophobicContact CG2-CB 4.1Å; I1087-E1091 HydrophobicContact CG2-CG 3.95Å; I1087-E1091 PolarHBondContact O-N 2.89Å
1088	K	46.3	Very low	49.4	Very low	95 Å²	95	78.6 Å²	78.6	41%	0.413	45%	0.451	S	S	.	.	H	α-helix	trans	-56.6	-29.3	170.3	-81.1	-178.7	171.2	174.4	0	112	E1079 V1084 M1085	E1079-K1088 IonicContact OE1-NZ 3.29Å; E1079-K1088 PolarHBondContact OE1-NZ 2.86Å; V1084-K1088 HydrophobicContact CG1-CD 4.31Å; V1084-K1088 HydrophobicContact CG1-CG 4.36Å; V1084-K1088 PolarHBondContact O-N 3.44Å; M1085-K1088 PolarHBondContact O-N 3.28Å
1089	S	42.7	Very low	49.7	Very low	91 Å²	91	85.6 Å²	85.6	64%	0.636	48%	0.479	S	S	*	.	H	α-helix	trans	-87.5	-14.3	175.7	77.8	0	0	0	0	115.4	M1085 Q1086 I1087	M1085-S1089 WeakPolarHBondContact O-CB 3.41Å; M1085-S1089 PolarHBondContact O-N 3.08Å; M1085-S1089 PolarHBondContact O-OG 2.92Å; Q1086-S1089 CarbonylContact O-C 3.59Å; Q1086-S1089 PolarHBondContact O-N 3.08Å; Q1086-S1089 PolarHBondContact O-OG 3.29Å; I1087-S1089 PolarHBondContact O-N 2.78Å; I1087-S1089 VanDerWaalsContact O-N 3.16Å
1090	G	46.6	Very low	50.8	Low	64 Å²	64	79.3 Å²	79.3	66%	0.66	45%	0.45	S	S	*	.	H	α-helix	trans	-105.4	-48.9	-179.8	0	0	0	0	0	113.6	Q1086 I1087 G1092	Q1086-G1090 PolarHBondContact O-N 3.15Å; I1087-G1090 PolarHBondContact O-N 3.11Å; G1090-G1092 PolarHBondContact O-N 3.31Å
1091	E	48.3	Very low	52.1	Low	101 Å²	101	79.4 Å²	79.4	47%	0.472	45%	0.451	S	S	.	.	S	Bend	trans	-86.8	80.2	178.7	-68.7	-175.9	-152.4	0	0	111.2	R1043 I1087	R1043-E1091 IonicContact CZ-OE1 3.96Å; R1043-E1091 IonicContact NE-OE1 2.74Å; R1043-E1091 IonicContact NH2-OE1 2.77Å; R1043-E1091 PolarHBondContact NH2-OE1 3.19Å; I1087-E1091 HydrophobicContact CG2-CB 4.1Å; I1087-E1091 HydrophobicContact CG2-CG 3.95Å; I1087-E1091 PolarHBondContact O-N 2.89Å
1092	G	47.7	Very low	52.7	Low	72 Å²	72	83.3 Å²	83.3	74%	0.742	47%	0.469	S	S	*	.	S	Bend	trans	107.4	-0.6	145.1	0	0	0	0	0	120	G1090	G1090-G1092 PolarHBondContact O-N 3.31Å
1093	T	44.7	Very low	54	Low	91 Å²	91	81.8 Å²	81.8	56%	0.558	46%	0.46	S	S	*	.			trans	-124.5	107.3	154.7	61.4	0	0	0	0	110.4	V1095	T1093-V1095 PolarHBondContact O-N 3.05Å
1094	G	44.9	Very low	55	Low	46 Å²	46	80.8 Å²	80.8	47%	0.474	47%	0.468	S	S	.	.			trans	-74.5	43.9	178.2	0	0	0	0	0	113.1	S1110 R1111	G1094-S1110 WeakPolarHBondContact O-CA 3.4Å; G1094-R1111 PolarHBondContact O-N 3.3Å
1095	V	52.4	Low	55.7	Low	60 Å²	60	89.2 Å²	89.2	36%	0.364	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	106.1	-168	170.9	0	0	0	0	109.5	T1093 I1097 P1108 V1109	T1093-V1095 PolarHBondContact O-N 3.05Å; V1095-I1097 HydrophobicContact CG1-CG1 4.35Å; V1095-P1108 HydrophobicContact CG1-CB 3.3Å; V1095-V1109 CarbonylContact C-O 3.6Å; V1095-V1109 VanDerWaalsContact CA-O 3.32Å; V1095-V1109 WeakPolarHBondContact CA-O 3.41Å
1096	Q	53.8	Low	56.5	Low	104 Å²	104	89 Å²	89	49%	0.486	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	128	165.2	-71.1	-174.8	-31.3	0	0	108.8	L1098 V1109	Q1096-L1098 PolarHBondContact O-N 3.48Å; Q1096-V1109 PolarHBondContact N-O 3.35Å; Q1096-V1109 PolarHBondContact O-N 3.4Å
1097	I	55.9	Low	57.6	Low	126 Å²	126	83.4 Å²	83.4	65%	0.646	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	101.6	176.7	-57.9	177.4	0	0	0	107.9	V1095 P1106 F1107	V1095-I1097 HydrophobicContact CG1-CG1 4.35Å; I1097-P1106 HydrophobicContact CG2-CB 3.55Å; I1097-F1107 WeakPolarHBondContact CA-O 3.1Å
1098	L	63.5	Low	58.3	Low	62 Å²	62	86.3 Å²	86.3	33%	0.325	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	149.1	176.4	-59.4	-172.3	0	0	0	110.5	Q1096 P1106 F1107 V1109	Q1096-L1098 PolarHBondContact O-N 3.48Å; L1098-P1106 CarbonylContact O-C 3.55Å; L1098-P1106 VanDerWaalsContact O-CA 3.3Å; L1098-P1106 WeakPolarHBondContact O-CA 3.45Å; L1098-F1107 HydrophobicContact CB-CE1 4.17Å; L1098-F1107 HydrophobicContact CB-CZ 4.31Å; L1098-F1107 PolarHBondContact N-O 3.13Å; L1098-F1107 VanDerWaalsContact O-CD1 3.28Å; L1098-F1107 WeakPolarHBondContact O-CD1 3.45Å; L1098-F1107 PolarHBondContact O-N 2.94Å; L1098-V1109 HydrophobicContact CB-CG2 4.45Å; L1098-V1109 HydrophobicContact CD1-CG2 3.94Å; L1098-V1109 HydrophobicContact CG-CG2 4.07Å
1099	K	65.5	Low	58.9	Low	167 Å²	167	82.5 Å²	82.5	73%	0.726	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	131	170.3	-66.5	-177	-179.4	-179.6	0	109.1
1100	C	69.7	Low	59.2	Low	3 Å²	3	81.3 Å²	81.3	2%	0.02	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-69.4	130.2	175.2	-176.7	0	0	0	0	111.3	E1102 G1104 R1105 F1107 T1119 C1121 C1124	C1100-E1102 VanDerWaalsContact C-N 3.34Å; C1100-E1102 PolarHBondContact O-N 3.29Å; C1100-G1104 WeakPolarHBondContact O-CA 3.44Å; C1100-G1104 PolarHBondContact O-N 2.88Å; C1100-R1105 PolarHBondContact N-O 2.96Å; C1100-F1107 HydrophobicContact CB-CD1 4.09Å; C1100-F1107 HydrophobicContact CB-CE1 4Å; C1100-T1119 WeakPolarHBondContact CA-O 3.33Å; C1100-C1121 HydrophobicContact CB-CB 3.9Å; C1100-C1121 PolarHBondContact SG-N 3.06Å; C1100-C1121 VanDerWaalsContact SG-SG 3.69Å; C1100-C1124 VanDerWaalsContact SG-SG 3.7Å
1101	E	72.6	Confident	59.4	Low	139 Å²	139	87.6 Å²	87.6	65%	0.65	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-37.7	178.8	-68.4	178.2	145.6	0	0	113.1	T1119	E1101-T1119 PolarHBondContact N-O 3.34Å; E1101-T1119 VanDerWaalsContact N-O 3.14Å; E1101-T1119 WeakPolarHBondContact OE2-CB 3.37Å; E1101-T1119 PolarHBondContact OE2-OG1 3.41Å
1102	E	67.9	Low	59.3	Low	101 Å²	101	90.6 Å²	90.6	47%	0.472	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-27.8	-173.6	-67.8	-179.6	169.7	0	0	114.7	C1100 R1120 C1124	C1100-E1102 VanDerWaalsContact C-N 3.34Å; C1100-E1102 PolarHBondContact O-N 3.29Å; E1102-R1120 HydrophobicContact CG-CG 4.46Å; E1102-R1120 VanDerWaalsContact OE1-CD 3.27Å; E1102-R1120 WeakPolarHBondContact OE1-CD 3.39Å; E1102-R1120 IonicContact OE1-CZ 3.86Å; E1102-R1120 IonicContact OE1-NE 3.92Å; E1102-R1120 PolarHBondContact OE1-NE 3.23Å; E1102-R1120 IonicContact OE1-NH1 2.89Å; E1102-R1120 PolarHBondContact OE1-NH1 3.33Å; E1102-C1124 WeakPolarHBondContact OE2-CB 3.38Å; E1102-C1124 PolarHBondContact OE2-SG 3.13Å
1103	C	75.6	Confident	59	Low	54 Å²	54	92.2 Å²	92.2	37%	0.365	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.7	4.4	-175.7	66.5	0	0	0	0	114.8	R1105 C1121	C1103-R1105 PolarHBondContact O-N 3.34Å; C1103-C1121 VanDerWaalsContact SG-SG 3.66Å
1104	G	72.1	Confident	59	Low	48 Å²	48	94.6 Å²	94.6	50%	0.495	50%	0.504	S	S	.	.			trans	67	-12	178.3	0	0	0	0	0	116	C1100	C1100-G1104 WeakPolarHBondContact O-CA 3.44Å; C1100-G1104 PolarHBondContact O-N 2.88Å
1105	R	67	Low	59.1	Low	180 Å²	180	95.7 Å²	95.7	68%	0.679	50%	0.504	S	S	*	.			trans	-68.3	135.5	-172.7	-66	-177.7	-178.9	-168.6	-1.7	111.5	C1100 C1103	C1100-R1105 PolarHBondContact N-O 2.96Å; C1103-R1105 PolarHBondContact O-N 3.34Å
1106	P	59.8	Low	58.8	Low	91 Å²	91	101 Å²	101	59%	0.591	53%	0.531	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.4	139.8	169.6	28.7	-33	0	0	0	110.3	I1097 L1098	I1097-P1106 HydrophobicContact CG2-CB 3.55Å; L1098-P1106 CarbonylContact O-C 3.55Å; L1098-P1106 VanDerWaalsContact O-CA 3.3Å; L1098-P1106 WeakPolarHBondContact O-CA 3.45Å
1107	F	66.9	Low	58.8	Low	23 Å²	23	102 Å²	102	10%	0.101	54%	0.539	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	148.3	174.5	71.6	-81.4	0	0	0	111.9	I1097 L1098 C1100 V1109 C1121	I1097-F1107 WeakPolarHBondContact CA-O 3.1Å; L1098-F1107 HydrophobicContact CB-CE1 4.17Å; L1098-F1107 HydrophobicContact CB-CZ 4.31Å; L1098-F1107 PolarHBondContact N-O 3.13Å; L1098-F1107 VanDerWaalsContact O-CD1 3.28Å; L1098-F1107 WeakPolarHBondContact O-CD1 3.45Å; L1098-F1107 PolarHBondContact O-N 2.94Å; C1100-F1107 HydrophobicContact CB-CD1 4.09Å; C1100-F1107 HydrophobicContact CB-CE1 4Å; F1107-V1109 HydrophobicContact CD2-CG2 4.01Å; F1107-V1109 HydrophobicContact CE2-CG2 3.57Å; F1107-V1109 HydrophobicContact CZ-CG2 4.27Å; F1107-C1121 HydrophobicContact CB-CB 4.03Å; F1107-C1121 HydrophobicContact CD1-CB 3.49Å; F1107-C1121 VanDerWaalsContact CD1-CB 3.49Å; F1107-C1121 HydrophobicContact CD2-CB 4.13Å; F1107-C1121 HydrophobicContact CE1-CB 3.89Å; F1107-C1121 HydrophobicContact CE2-CB 4.47Å; F1107-C1121 HydrophobicContact CG-CB 3.62Å; F1107-C1121 HydrophobicContact CZ-CB 4.36Å
1108	P	59.8	Low	58.9	Low	95 Å²	95	98.1 Å²	98.1	62%	0.617	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	138.2	-177.8	31.5	-35.4	0	0	0	112.4	V1095	V1095-P1108 HydrophobicContact CG1-CB 3.3Å
1109	V	59.9	Low	58.9	Low	14 Å²	14	98.2 Å²	98.2	9%	0.085	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	116.9	174.7	175.7	0	0	0	0	110	V1095 Q1096 L1098 F1107 L1118	V1095-V1109 CarbonylContact C-O 3.6Å; V1095-V1109 VanDerWaalsContact CA-O 3.32Å; V1095-V1109 WeakPolarHBondContact CA-O 3.41Å; Q1096-V1109 PolarHBondContact N-O 3.35Å; Q1096-V1109 PolarHBondContact O-N 3.4Å; L1098-V1109 HydrophobicContact CB-CG2 4.45Å; L1098-V1109 HydrophobicContact CD1-CG2 3.94Å; L1098-V1109 HydrophobicContact CG-CG2 4.07Å; F1107-V1109 HydrophobicContact CD2-CG2 4.01Å; F1107-V1109 HydrophobicContact CE2-CG2 3.57Å; F1107-V1109 HydrophobicContact CZ-CG2 4.27Å; V1109-L1118 HydrophobicContact CB-CD2 4.45Å; V1109-L1118 HydrophobicContact CG1-CD1 3.94Å; V1109-L1118 HydrophobicContact CG1-CD2 3.68Å; V1109-L1118 HydrophobicContact CG1-CG 4.39Å; V1109-L1118 HydrophobicContact CG2-CD2 3.9Å
1110	S	49.4	Very low	59	Low	67 Å²	67	95.2 Å²	95.2	47%	0.469	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	138.4	173.7	49.4	0	0	0	0	111.7	G1094 L1112	G1094-S1110 WeakPolarHBondContact O-CA 3.4Å; S1110-L1112 PolarHBondContact O-N 2.87Å
1111	R	49.5	Very low	59	Low	195 Å²	195	95.4 Å²	95.4	74%	0.736	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	3.8	-175.3	-86.3	-176	169.6	168.7	-2.4	117.6	G1094	G1094-R1111 PolarHBondContact O-N 3.3Å
1112	L	45.8	Very low	58.9	Low	165 Å²	165	93 Å²	93	86%	0.864	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	13.6	-174.8	-71.4	172	0	0	0	114.5	S1110	S1110-L1112 PolarHBondContact O-N 2.87Å
1113	L	42.9	Very low	58.9	Low	106 Å²	106	96.1 Å²	96.1	56%	0.555	51%	0.514	S	S	*	.			trans	-117.8	89.7	177.4	-73.2	171.1	0	0	0	111.7	S1115	L1113-S1115 PolarHBondContact O-N 3.44Å
1114	T	44.3	Very low	58.8	Low	141 Å²	141	94.2 Å²	94.2	87%	0.865	50%	0.502	S	S	*	.			trans	-78.9	91.5	169.1	48.3	0	0	0	0	110.6
1115	S	46.7	Very low	58.6	Low	69 Å²	69	96.7 Å²	96.7	48%	0.483	50%	0.496	S	S	.	.	S	Bend	trans	-172.1	149.6	162.6	30.7	0	0	0	0	111.5	L1113 L1117	L1113-S1115 PolarHBondContact O-N 3.44Å; S1115-L1117 PolarHBondContact O-N 3.44Å
1116	D	46.1	Very low	58.5	Low	172 Å²	172	94.6 Å²	94.6	92%	0.92	50%	0.498	S	S	*	.	S	Bend	trans	-75.6	26.5	-161.4	-51.8	-80	0	0	0	116.4
1117	L	54.1	Low	58.6	Low	124 Å²	124	99.3 Å²	99.3	65%	0.649	51%	0.509	S	S	*	.			trans	-100.3	5.6	-171.9	-69.9	167.6	0	0	0	114.4	S1115 T1119 R1125	S1115-L1117 PolarHBondContact O-N 3.44Å; L1117-T1119 PolarHBondContact O-N 2.96Å; L1117-R1125 VanDerWaalsContact C-NH2 3.27Å; L1117-R1125 PolarHBondContact O-NH2 3.44Å
1118	L	58.8	Low	57.8	Low	45 Å²	45	104.2 Å²	104.2	24%	0.236	55%	0.554	C	S	.	*	T	Hydrogen-bonded Turn	trans	-84.2	14.5	-160.8	-79.9	164.4	0	0	0	117.2	V1109	V1109-L1118 HydrophobicContact CB-CD2 4.45Å; V1109-L1118 HydrophobicContact CG1-CD1 3.94Å; V1109-L1118 HydrophobicContact CG1-CD2 3.68Å; V1109-L1118 HydrophobicContact CG1-CG 4.39Å; V1109-L1118 HydrophobicContact CG2-CD2 3.9Å
1119	T	62.3	Low	57.7	Low	63 Å²	63	104.7 Å²	104.7	39%	0.387	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87	-17.2	176.2	75.5	0	0	0	0	114.8	C1100 E1101 L1117	C1100-T1119 WeakPolarHBondContact CA-O 3.33Å; E1101-T1119 PolarHBondContact N-O 3.34Å; E1101-T1119 VanDerWaalsContact N-O 3.14Å; E1101-T1119 WeakPolarHBondContact OE2-CB 3.37Å; E1101-T1119 PolarHBondContact OE2-OG1 3.41Å; L1117-T1119 PolarHBondContact O-N 2.96Å
1120	R	67.6	Low	57.6	Low	104 Å²	104	109.5 Å²	109.5	39%	0.392	58%	0.575	S	S	.	*	S	Bend	trans	-111.8	135.5	-178.5	-57.1	-176.5	-167	-172.7	13.2	112.1	E1102 C1124 R1125	E1102-R1120 HydrophobicContact CG-CG 4.46Å; E1102-R1120 VanDerWaalsContact OE1-CD 3.27Å; E1102-R1120 WeakPolarHBondContact OE1-CD 3.39Å; E1102-R1120 IonicContact OE1-CZ 3.86Å; E1102-R1120 IonicContact OE1-NE 3.92Å; E1102-R1120 PolarHBondContact OE1-NE 3.23Å; E1102-R1120 IonicContact OE1-NH1 2.89Å; E1102-R1120 PolarHBondContact OE1-NH1 3.33Å; R1120-C1124 HydrophobicContact CB-CB 4.23Å; R1120-R1125 HydrophobicContact CB-CG 4.14Å; R1120-R1125 PolarHBondContact O-NE 3.39Å; R1120-R1125 VanDerWaalsContact O-NE 3.14Å
1121	C	70	Confident	58	Low	8 Å²	8	111.8 Å²	111.8	5%	0.054	58%	0.581	C	S	.	*			trans	-71	162.3	177	73.6	0	0	0	0	112.3	C1100 C1103 F1107 F1123 C1124 R1125	C1100-C1121 HydrophobicContact CB-CB 3.9Å; C1100-C1121 PolarHBondContact SG-N 3.06Å; C1100-C1121 VanDerWaalsContact SG-SG 3.69Å; C1103-C1121 VanDerWaalsContact SG-SG 3.66Å; F1107-C1121 HydrophobicContact CB-CB 4.03Å; F1107-C1121 HydrophobicContact CD1-CB 3.49Å; F1107-C1121 VanDerWaalsContact CD1-CB 3.49Å; F1107-C1121 HydrophobicContact CD2-CB 4.13Å; F1107-C1121 HydrophobicContact CE1-CB 3.89Å; F1107-C1121 HydrophobicContact CE2-CB 4.47Å; F1107-C1121 HydrophobicContact CG-CB 3.62Å; F1107-C1121 HydrophobicContact CZ-CB 4.36Å; C1121-F1123 VanDerWaalsContact C-N 3.29Å; C1121-F1123 PolarHBondContact O-N 2.96Å; C1121-C1124 WeakPolarHBondContact O-CB 3.44Å; C1121-C1124 PolarHBondContact O-N 3.38Å; C1121-R1125 PolarHBondContact O-N 3.33Å
1122	V	70	Confident	58.5	Low	88 Å²	88	106.9 Å²	106.9	53%	0.533	57%	0.572	S	S	.	*	H	α-helix	trans	-54.6	-41.6	-177.2	-177	0	0	0	0	112.6	C1124 R1125 L1126	V1122-C1124 VanDerWaalsContact C-N 3.3Å; V1122-C1124 PolarHBondContact O-N 2.96Å; V1122-R1125 PolarHBondContact O-N 3.43Å; V1122-L1126 HydrophobicContact CG1-CD1 3.82Å; V1122-L1126 HydrophobicContact CG1-CG 4.38Å; V1122-L1126 WeakPolarHBondContact O-CB 3.43Å; V1122-L1126 VanDerWaalsContact O-CG 3.3Å; V1122-L1126 WeakPolarHBondContact O-CG 3.42Å; V1122-L1126 PolarHBondContact O-N 2.92Å
1123	F	68.4	Low	59.3	Low	166 Å²	166	103.3 Å²	103.3	73%	0.728	55%	0.554	S	S	*	*	H	α-helix	trans	-70.6	-21.6	179.1	-62	-75.1	0	0	0	114.6	C1121 K1127	C1121-F1123 VanDerWaalsContact C-N 3.29Å; C1121-F1123 PolarHBondContact O-N 2.96Å; F1123-K1127 WeakPolarHBondContact O-CG 3.28Å
1124	C	73.4	Confident	60.4	Low	15 Å²	15	103.1 Å²	103.1	10%	0.101	55%	0.554	C	S	.	*	H	α-helix	trans	-80.8	-46.3	171.3	-83.3	0	0	0	0	110.5	C1100 E1102 R1120 C1121 V1122 L1126 K1127 A1128	C1100-C1124 VanDerWaalsContact SG-SG 3.7Å; E1102-C1124 WeakPolarHBondContact OE2-CB 3.38Å; E1102-C1124 PolarHBondContact OE2-SG 3.13Å; R1120-C1124 HydrophobicContact CB-CB 4.23Å; C1121-C1124 WeakPolarHBondContact O-CB 3.44Å; C1121-C1124 PolarHBondContact O-N 3.38Å; V1122-C1124 VanDerWaalsContact C-N 3.3Å; V1122-C1124 PolarHBondContact O-N 2.96Å; C1124-L1126 PolarHBondContact O-N 3.21Å; C1124-K1127 PolarHBondContact O-N 2.97Å; C1124-A1128 PolarHBondContact O-N 2.99Å
1125	R	67.4	Low	61.6	Low	100 Å²	100	100.4 Å²	100.4	38%	0.377	53%	0.531	S	S	.	.	H	α-helix	trans	-60	-28.1	175.4	-66.2	-179.1	-178.1	-173.7	-3.2	114	L1117 R1120 C1121 V1122 K1127	L1117-R1125 VanDerWaalsContact C-NH2 3.27Å; L1117-R1125 PolarHBondContact O-NH2 3.44Å; R1120-R1125 HydrophobicContact CB-CG 4.14Å; R1120-R1125 PolarHBondContact O-NE 3.39Å; R1120-R1125 VanDerWaalsContact O-NE 3.14Å; C1121-R1125 PolarHBondContact O-N 3.33Å; V1122-R1125 PolarHBondContact O-N 3.43Å; R1125-K1127 VanDerWaalsContact C-N 3.29Å
1126	L	65.1	Low	62.7	Low	135 Å²	135	102.8 Å²	102.8	71%	0.707	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	7.7	176.2	-69.5	171.4	0	0	0	113.7	V1122 C1124	V1122-L1126 HydrophobicContact CG1-CD1 3.82Å; V1122-L1126 HydrophobicContact CG1-CG 4.38Å; V1122-L1126 WeakPolarHBondContact O-CB 3.43Å; V1122-L1126 VanDerWaalsContact O-CG 3.3Å; V1122-L1126 WeakPolarHBondContact O-CG 3.42Å; V1122-L1126 PolarHBondContact O-N 2.92Å; C1124-L1126 PolarHBondContact O-N 3.21Å
1127	K	61.9	Low	64.1	Low	191 Å²	191	97.1 Å²	97.1	83%	0.83	50%	0.503	S	S	*	.			trans	-123.2	0.8	178.4	-78	-171.8	171.2	-163.5	0	113.8	F1123 C1124 R1125	F1123-K1127 WeakPolarHBondContact O-CG 3.28Å; C1124-K1127 PolarHBondContact O-N 2.97Å; R1125-K1127 VanDerWaalsContact C-N 3.29Å
1128	A	50.4	Low	65	Low	126 Å²	126	94.6 Å²	94.6	100%	1.041	49%	0.49	S	S	*	.			trans	-112.9	0	175.4	0	0	0	0	0	109.3	C1124	C1124-A1128 PolarHBondContact O-N 2.99Å

Retrieved 1,128 of 1,128 residues in 759.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).