A0A3Q0KKP8_SCHMA Loading...

C2 domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KKP8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,071 aa.

						>A0A3Q0KKP8_SCHMA|A0A3Q0KKP8
MIPLNADLSLLSLSNKLCLDEVDNQMTIPVDCQNGIVAITECYDRLCWQGQLQLALHITDNCIRIQIIKARYLQVPVDEGYTMFVEARIAPKYSPNTNTYQLRTKSVPDCTAPVFNEKFSFEISHISYNDRLYIELYLNQSKFGYKNAIFLGGMSFNIRRLKQKSIESLKLLLTDSQDNHSMNLFKESTTQDLDLSKTNFKCSKSEHFSISLPSLEVMNQDFPKSQWYYLLGQNSCYCRHMSVSTIPRFSKLDTHEEISSIGSFKSGSNSIPSTITNVMIKSESFSTLSSLNLNDNRNLPSLTGFIRKKITIPRSDSGYGFTLTCQMVKFDFQQFASTPITSSSHKDSSNIEQCSYLPTHRCFRIHSVQKDSPADEVGLPVGAYLLGIGNTPLNCTLTLKDVVECMSKAAESHPNKAIILNICLPDCSRELKSYNLSRQSSNEELNSLVSSDLQTQTKNTTYTGINKNDNNNNNNKHISQPNDFSYHLPSDNCINTVSTTTTTTVNHSITDSFITSNINNSCLPQTVTTTAGSVMLCEECCIDESILHNDNETNNKNGNGSITRRTRILTLAPPILNLKWEDVCLDEANRQWAIEALIIKLINISNNLTYGINAYRTGLQKIANLHPNDLNSLFYNIVEVASQTCKLKQNLQNGCLPYAMSNHTSSPPTSGPLIKTGVLNNKNKLKPTLSSSGSTQSESFKTDSYTKYNDRITTGGGRGLHKRFSFLFKLRKSSASGQQSSPINRENNKPANNHDNTNFRASIMSENFTNNFVGEQPNYQNTVQRNQMKESLHNLPSCRPSSPHSSSSIPPVHGHLDNPGTIVELTLNNLLNQCIDYTNVYPDRLKYFYELRKQYPHLRLFLKNQAMEPGVPILSLFLTLPSEIPRCLLNGLKNIEKFTSDQHKDRPALEKCIKALSDALTCQLFSNTPNNDKLDVNNFVLKDMSYLSNTQSVENNYQSLSYTPSTSYIHNDDNSKPTISTPSVECENSSVNPQETFNVQENIELAKLMKYILPPLFPYPNELLTFNPSEWSSINHYIIYKSYLICTLCSKQYPDLIVEDTSYRGIRLFIK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.3	Very low	31.2	Very low	227 Å²	227	141.5 Å²	141.5	100%	1.118	79%	0.787	S	S	*	*				0	94.1	0	-67.5	147.4	71.2	0	0	105.7
2	I	26.2	Very low	30.8	Very low	164 Å²	164	137.3 Å²	137.3	84%	0.841	78%	0.775	S	S	*	*				85	128.3	65.6	-68.3	171.8	0	0	0	109.9
3	P	41.6	Very low	30.5	Very low	110 Å²	110	137.5 Å²	137.5	71%	0.714	77%	0.771	S	S	*	*			trans	-132.3	-112.3	-134.7	39.1	-17.6	0	0	0	112.4
4	L	32.5	Very low	30.2	Very low	152 Å²	152	134.3 Å²	134.3	80%	0.796	76%	0.763	S	S	*	*			trans	87.6	114.8	-175.9	-52.2	170.6	0	0	0	111.8
5	N	32.7	Very low	30.3	Very low	152 Å²	152	134.6 Å²	134.6	81%	0.813	76%	0.761	S	S	*	*			cis	59.9	154.5	36.2	-68.1	-2	0	0	0	114.4
6	A	29.7	Very low	30.1	Very low	85 Å²	85	137.8 Å²	137.8	70%	0.702	76%	0.764	S	S	*	*			trans	80	136.4	-169.1	0	0	0	0	0	115.3
7	D	31.7	Very low	30.1	Very low	140 Å²	140	138.1 Å²	138.1	75%	0.749	76%	0.763	S	S	*	*			cis	-145.5	141.1	-20.8	-93.9	-35.8	0	0	0	107.7
8	L	26.4	Very low	29.8	Very low	140 Å²	140	136.7 Å²	136.7	73%	0.733	76%	0.763	S	S	*	*				78.8	96.2	61.1	-133.6	-175.3	0	0	0	113.7
9	S	28.5	Very low	29.7	Very low	97 Å²	97	136.7 Å²	136.7	68%	0.678	76%	0.761	S	S	*	*			trans	73.5	173	152.7	74.2	0	0	0	0	121.2
10	L	27.1	Very low	29.6	Very low	148 Å²	148	137 Å²	137	78%	0.775	76%	0.761	S	S	*	*			trans	78.6	116.9	175.4	-50.8	-177.1	0	0	0	115.5
11	L	29.4	Very low	29.4	Very low	141 Å²	141	139 Å²	139	74%	0.738	77%	0.765	S	S	*	*			cis	-141.4	146.2	-0.7	-72	113.9	0	0	0	107.1
12	S	26.4	Very low	29.1	Very low	91 Å²	91	134.3 Å²	134.3	64%	0.636	75%	0.749	S	S	*	*				45.2	138.4	69.5	72	0	0	0	0	114
13	L	26.7	Very low	29.2	Very low	140 Å²	140	133.1 Å²	133.1	73%	0.733	74%	0.744	S	S	*	*			cis	-132.3	154.8	17.1	-85.9	94.1	0	0	0	110.2
14	S	27.1	Very low	28.7	Very low	93 Å²	93	135.6 Å²	135.6	65%	0.65	75%	0.751	S	S	*	*				55.9	140.7	86.4	-28.3	0	0	0	0	114
15	N	31.7	Very low	28.4	Very low	139 Å²	139	136.7 Å²	136.7	74%	0.743	75%	0.752	S	S	*	*			cis	-133.1	154.3	32.8	-63.9	-58.2	0	0	0	111.1
16	K	26.9	Very low	28.2	Very low	185 Å²	185	137.7 Å²	137.7	80%	0.804	75%	0.754	S	S	*	*				47.2	118.3	68	-69.4	-172.7	174.7	-173.5	0	111.2
17	L	29.3	Very low	28	Very low	144 Å²	144	139.9 Å²	139.9	75%	0.754	76%	0.759	S	S	*	*				-165.2	141.8	71.7	-81.4	161.3	0	0	0	105.9
18	C	25.6	Very low	27.9	Very low	113 Å²	113	140 Å²	140	76%	0.764	76%	0.758	S	S	*	*			cis	66.8	146.4	26.5	-141.7	0	0	0	0	113.9
19	L	26.8	Very low	28	Very low	136 Å²	136	138.2 Å²	138.2	71%	0.712	76%	0.755	S	S	*	*			trans	73.8	132.2	-158.4	-47.7	174	0	0	0	112.5
20	D	29.2	Very low	28	Very low	142 Å²	142	139.7 Å²	139.7	76%	0.759	76%	0.759	S	S	*	*			cis	-150.6	169.3	-7	-97.5	-31.8	0	0	0	111.2
21	E	25.6	Very low	28	Very low	180 Å²	180	139.1 Å²	139.1	84%	0.841	76%	0.757	S	S	*	*			trans	-62.6	160.5	164.5	-61.6	170.4	130.4	0	0	110
22	V	30.8	Very low	27.9	Very low	129 Å²	129	137.7 Å²	137.7	78%	0.782	76%	0.757	S	S	*	*				-165.8	155.8	76.5	157.1	0	0	0	0	110.1
23	D	27.5	Very low	28	Very low	139 Å²	139	141.4 Å²	141.4	74%	0.743	77%	0.765	S	S	*	*			trans	-34.9	147.3	174.9	-55.7	-78.8	0	0	0	117.1
24	N	31	Very low	28	Very low	162 Å²	162	141.6 Å²	141.6	87%	0.866	77%	0.767	S	S	*	*				-154.6	150.6	120.8	-112.2	-75.7	0	0	0	112.8
25	Q	25.7	Very low	28	Very low	175 Å²	175	140.6 Å²	140.6	82%	0.818	77%	0.771	S	S	*	*			trans	-80.2	141.8	-172.6	-60.3	168.1	-1.1	0	0	111.9
26	M	29	Very low	27.9	Very low	173 Å²	173	140.7 Å²	140.7	85%	0.852	77%	0.77	S	S	*	*			trans	-145.5	101.3	152.6	-163.6	159.4	-175	0	0	112.6
27	T	25.6	Very low	28.1	Very low	130 Å²	130	138 Å²	138	80%	0.798	77%	0.769	S	S	*	*			trans	-72	129.2	179.9	-31.9	0	0	0	0	111.6
28	I	30.3	Very low	28.1	Very low	142 Å²	142	135.8 Å²	135.8	73%	0.728	77%	0.771	S	S	*	*			trans	-134	133.6	166.3	-62.3	-175.2	0	0	0	107
29	P	27.7	Very low	28.3	Very low	103 Å²	103	136.4 Å²	136.4	67%	0.669	77%	0.765	S	S	*	*			trans	-83.6	155.5	-155	31.8	-37.3	0	0	0	115.4	D31	P29-D31 PolarHBondContact O-N 2.78Å
30	V	27.9	Very low	28.7	Very low	129 Å²	129	135.2 Å²	135.2	78%	0.782	76%	0.764	S	S	*	*			trans	-81	106.4	164.3	177.3	0	0	0	0	108.6	C32	V30-C32 VanDerWaalsContact CG1-SG 3.59Å
31	D	27.1	Very low	28.8	Very low	136 Å²	136	135.1 Å²	135.1	73%	0.727	76%	0.759	S	S	*	*			trans	-100.1	89.3	177.2	-123.5	-30.7	0	0	0	110.9	P29 Q33	P29-D31 PolarHBondContact O-N 2.78Å; D31-Q33 PolarHBondContact O-N 3.44Å
32	C	27.7	Very low	29.2	Very low	110 Å²	110	130.9 Å²	130.9	74%	0.743	75%	0.748	S	S	*	*			trans	-74.2	78.4	-178.3	-71.4	0	0	0	0	112.4	V30	V30-C32 VanDerWaalsContact CG1-SG 3.59Å
33	Q	28.2	Very low	29.3	Very low	169 Å²	169	130.2 Å²	130.2	79%	0.79	73%	0.732	S	S	*	*			trans	-145.8	3.2	178.7	-125.3	159.8	84.7	0	0	118.2	D31	D31-Q33 PolarHBondContact O-N 3.44Å
34	N	27.7	Very low	29.8	Very low	145 Å²	145	126.1 Å²	126.1	78%	0.775	71%	0.71	S	S	*	*			trans	-122.1	49.8	175.9	-77.3	-53.1	0	0	0	113.3	I36	N34-I36 PolarHBondContact O-N 3.12Å
35	G	26.5	Very low	30.2	Very low	71 Å²	71	124 Å²	124	73%	0.732	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	117.9	172.5	0	0	0	0	0	112
36	I	29.5	Very low	31.1	Very low	142 Å²	142	118.2 Å²	118.2	73%	0.728	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	176.7	-31.1	155.7	-99.1	154.5	0	0	0	111.5	N34	N34-I36 PolarHBondContact O-N 3.12Å
37	V	30.5	Very low	32.1	Very low	128 Å²	128	110.7 Å²	110.7	78%	0.776	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-16.1	-159	-175.3	0	0	0	0	115.4
38	A	29.4	Very low	33.8	Very low	97 Å²	97	109 Å²	109	80%	0.802	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	-1.5	-168.9	0	0	0	0	0	116.5
39	I	31.6	Very low	35.7	Very low	127 Å²	127	103 Å²	103	65%	0.651	58%	0.577	S	S	*	*	S	Bend	trans	-100.3	-3.3	-159.5	-20.5	179.3	0	0	0	114.8
40	T	34.2	Very low	38.4	Very low	110 Å²	110	98.1 Å²	98.1	68%	0.675	55%	0.545	S	S	*	.	S	Bend	trans	-95.1	-23.3	-170.7	45.8	0	0	0	0	115.1	C42	T40-C42 PolarHBondContact O-N 2.88Å
41	E	31.4	Very low	41.4	Very low	140 Å²	140	92.6 Å²	92.6	65%	0.654	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-16.3	-170.7	-67.4	-154.8	165	0	0	116.3
42	C	33.7	Very low	44.5	Very low	91 Å²	91	86.1 Å²	86.1	62%	0.615	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-26.2	-175.6	-73.3	0	0	0	0	113.5	T40 D44 R45	T40-C42 PolarHBondContact O-N 2.88Å; C42-D44 VanDerWaalsContact C-N 3.31Å; C42-D44 PolarHBondContact O-N 3.17Å; C42-R45 PolarHBondContact O-N 3.18Å
43	Y	34.1	Very low	47.7	Very low	116 Å²	116	82.1 Å²	82.1	46%	0.455	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-70.5	-21.6	-171.3	-82.5	-72	0	0	0	114.7	R567	Y43-R567 PolarHBondContact O-NE 2.72Å; Y43-R567 PolarHBondContact O-NH2 3.38Å
44	D	37.3	Very low	50.8	Low	53 Å²	53	74.1 Å²	74.1	28%	0.283	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-89.7	5.1	178.9	-102	46.4	0	0	0	114.2	C42 T566 R567	C42-D44 VanDerWaalsContact C-N 3.31Å; C42-D44 PolarHBondContact O-N 3.17Å; D44-T566 VanDerWaalsContact OD2-CA 3.23Å; D44-T566 WeakPolarHBondContact OD2-CA 3.42Å; D44-R567 WeakPolarHBondContact OD1-CD 3.45Å; D44-R567 WeakPolarHBondContact OD1-CG 3.22Å; D44-R567 IonicContact OD1-NE 2.73Å; D44-R567 PolarHBondContact OD1-NE 3.26Å; D44-R567 PolarHBondContact OD2-N 3.01Å
45	R	38.5	Very low	53.8	Low	118 Å²	118	67.4 Å²	67.4	45%	0.445	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-97.6	-11.3	178.5	-55.7	-170.9	-174.1	-167	4.8	113.7	C42 R564	C42-R45 PolarHBondContact O-N 3.18Å; R45-R564 HydrophobicContact CG-CG 4.28Å
46	L	44.4	Very low	56.8	Low	53 Å²	53	64.5 Å²	64.5	28%	0.277	34%	0.341	S	S	.	.			trans	-99.1	91.6	-179.5	-77.6	164.2	0	0	0	111	W48 M241	L46-W48 VanDerWaalsContact O-CD1 3.31Å; L46-W48 PolarHBondContact O-N 3.15Å; L46-M241 HydrophobicContact CD1-CE 4.21Å; L46-M241 HydrophobicContact CD1-SD 3.98Å; L46-M241 HydrophobicContact CD2-SD 4.44Å
47	C	50.6	Low	59.4	Low	15 Å²	15	59.2 Å²	59.2	10%	0.101	31%	0.313	C	S	.	.			trans	-71.5	50.9	-174.6	-43.8	0	0	0	0	113.9	T563 R565	C47-T563 PolarHBondContact SG-O 2.98Å; C47-R565 HydrophobicContact CB-CB 3.89Å; C47-R565 HydrophobicContact CB-CG 4.08Å; C47-R565 PolarHBondContact SG-N 3.2Å
48	W	61.9	Low	61.9	Low	95 Å²	95	53.6 Å²	53.6	36%	0.36	28%	0.279	S	S	.	.			trans	-68.8	139.5	-177.2	62.9	-93.9	0	0	0	111.9	L46 Y229 L230	L46-W48 VanDerWaalsContact O-CD1 3.31Å; L46-W48 PolarHBondContact O-N 3.15Å; W48-Y229 HydrophobicContact CB-CD1 4.16Å; W48-Y229 HydrophobicContact CD2-CD1 4.26Å; W48-Y229 HydrophobicContact CG-CD1 4.02Å; W48-L230 CarbonylContact C-O 3.57Å; W48-L230 VanDerWaalsContact CA-O 3.24Å; W48-L230 WeakPolarHBondContact CA-O 3.16Å
49	Q	70.6	Confident	64.2	Low	15 Å²	15	51.4 Å²	51.4	7%	0.07	26%	0.256	C	S	.	.			trans	-111.1	-2.1	-174.3	-58.8	-164.2	91.6	0	0	113.1	L73 Q74 L151 L230 R565	Q49-L73 WeakPolarHBondContact O-CA 3.25Å; Q49-Q74 PolarHBondContact O-N 3.11Å; Q49-L151 WeakPolarHBondContact CB-O 3.29Å; Q49-L151 WeakPolarHBondContact CG-O 3.5Å; Q49-L151 PolarHBondContact NE2-O 3.02Å; Q49-L230 PolarHBondContact N-O 3.38Å; Q49-R565 VanDerWaalsContact CG-NH1 3.34Å
50	G	84.3	Confident	66.3	Low	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.25	C	S	.	.			trans	158.9	-161.4	177.6	0	0	0	0	0	110.2	R71 Y72 L230	G50-R71 WeakPolarHBondContact CA-O 3.25Å; G50-Y72 WeakPolarHBondContact CA-O 3.34Å; G50-L230 PolarHBondContact O-N 2.68Å
51	Q	90.3	Very high	68.4	Low	13 Å²	13	50.6 Å²	50.6	6%	0.061	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146.1	174.3	-64.7	175.2	-2.4	0	0	110.4	A70 R71 Y72 W227 Y228 Y229 V243	Q51-A70 CarbonylContact O-C 3.54Å; Q51-A70 WeakPolarHBondContact O-CA 3.39Å; Q51-R71 HydrophobicContact CB-CG 4.08Å; Q51-R71 PolarHBondContact N-O 2.9Å; Q51-R71 PolarHBondContact O-N 3.35Å; Q51-R71 VanDerWaalsContact OE1-CZ 3.23Å; Q51-Y72 HydrophobicContact CG-CD2 4.32Å; Q51-W227 HydrophobicContact CB-CE3 3.94Å; Q51-W227 HydrophobicContact CB-CZ3 4.36Å; Q51-Y228 CarbonylContact C-O 3.53Å; Q51-Y228 WeakPolarHBondContact CA-O 3.44Å; Q51-Y229 HydrophobicContact CG-CD1 4.01Å; Q51-Y229 HydrophobicContact CG-CE1 4.32Å; Q51-V243 HydrophobicContact CG-CG2 4.24Å
52	L	92.2	Very high	70.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	132.6	177.8	-174.7	68	0	0	0	109.3	L54 I67 A70 V85 F115 I134 M154 Y228 L230	L52-L54 HydrophobicContact CD2-CD1 4.41Å; L52-L54 HydrophobicContact CD2-CD2 3.77Å; L52-L54 HydrophobicContact CD2-CG 4.21Å; L52-L54 HydrophobicContact CG-CD2 3.92Å; L52-L54 HydrophobicContact CG-CG 4.18Å; L52-I67 HydrophobicContact CD1-CG2 4.07Å; L52-I67 HydrophobicContact CD2-CG2 4.42Å; L52-A70 HydrophobicContact CD1-CB 3.91Å; L52-V85 HydrophobicContact CD1-CG2 4.17Å; L52-V85 HydrophobicContact CD2-CG1 4.25Å; L52-V85 HydrophobicContact CD2-CG2 4.4Å; L52-F115 HydrophobicContact CD1-CE2 4.34Å; L52-I134 HydrophobicContact CD2-CG2 3.76Å; L52-M154 HydrophobicContact CB-CE 4.06Å; L52-M154 HydrophobicContact CD2-CE 4.19Å; L52-Y228 PolarHBondContact N-O 2.83Å; L52-Y228 PolarHBondContact O-N 3.35Å; L52-L230 HydrophobicContact CB-CD1 4.37Å; L52-L230 HydrophobicContact CB-CD2 3.96Å; L52-L230 HydrophobicContact CB-CG 4.09Å; L52-L230 HydrophobicContact CD2-CD2 4.23Å
53	Q	94.4	Very high	73.4	Confident	26 Å²	26	41.1 Å²	41.1	12%	0.121	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	123	175.9	-168.1	179.1	-7.7	0	0	109.3	I68 K69 S225 W227	Q53-I68 HydrophobicContact CB-CB 4.22Å; Q53-I68 HydrophobicContact CG-CB 4.28Å; Q53-I68 HydrophobicContact CG-CD1 4.12Å; Q53-I68 PolarHBondContact O-N 2.95Å; Q53-K69 HydrophobicContact CB-CG 4.26Å; Q53-K69 PolarHBondContact N-O 3.33Å; Q53-S225 PolarHBondContact NE2-OG 2.82Å; Q53-W227 HydrophobicContact CB-CD2 3.86Å; Q53-W227 HydrophobicContact CB-CE3 3.69Å; Q53-W227 HydrophobicContact CB-CH2 3.85Å; Q53-W227 HydrophobicContact CB-CZ2 4.02Å; Q53-W227 HydrophobicContact CB-CZ3 3.66Å; Q53-W227 HydrophobicContact CG-CD2 4.16Å; Q53-W227 HydrophobicContact CG-CE3 4.49Å; Q53-W227 HydrophobicContact CG-CZ2 4.3Å; Q53-W227 VanDerWaalsContact OE1-CZ2 3.23Å
54	L	93	Very high	75.9	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	150	-177.2	-60.1	175.5	0	0	0	110.3	L52 Q66 I67 I134 M154 F156 S225 Q226 Y228	L52-L54 HydrophobicContact CD2-CD1 4.41Å; L52-L54 HydrophobicContact CD2-CD2 3.77Å; L52-L54 HydrophobicContact CD2-CG 4.21Å; L52-L54 HydrophobicContact CG-CD2 3.92Å; L52-L54 HydrophobicContact CG-CG 4.18Å; L54-Q66 WeakPolarHBondContact CA-O 3.42Å; L54-I67 HydrophobicContact CD2-CB 4.18Å; L54-I67 HydrophobicContact CD2-CG1 3.93Å; L54-I67 HydrophobicContact CD2-CG2 4.04Å; L54-I134 HydrophobicContact CD1-CD1 3.62Å; L54-I134 HydrophobicContact CD1-CG2 4.48Å; L54-I134 HydrophobicContact CD2-CD1 4.31Å; L54-I134 HydrophobicContact CD2-CG2 4.46Å; L54-M154 HydrophobicContact CD1-CE 4.44Å; L54-M154 HydrophobicContact CD1-SD 3.56Å; L54-M154 VanDerWaalsContact CD1-SD 3.56Å; L54-F156 HydrophobicContact CD1-CE2 4.29Å; L54-F156 HydrophobicContact CD1-CZ 4.36Å; L54-S225 CarbonylContact O-C 3.54Å; L54-S225 WeakPolarHBondContact O-CA 3.49Å; L54-Q226 PolarHBondContact N-O 3.08Å; L54-Q226 PolarHBondContact O-N 3.33Å; L54-Q226 VanDerWaalsContact O-O 3.14Å; L54-Y228 HydrophobicContact CB-CD2 4.02Å; L54-Y228 HydrophobicContact CB-CE2 3.94Å; L54-Y228 HydrophobicContact CD1-CD2 3.88Å; L54-Y228 HydrophobicContact CD1-CE2 4.27Å; L54-Y228 HydrophobicContact CG-CD2 4.14Å
55	A	91.4	Very high	78.5	Confident	4 Å²	4	35.8 Å²	35.8	3%	0.033	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.3	156.6	0	0	0	0	0	108.8	I65 Q66 F222 P223	A55-I65 CarbonylContact O-C 3.58Å; A55-I65 WeakPolarHBondContact O-CA 3.48Å; A55-Q66 HydrophobicContact CB-CB 4.21Å; A55-Q66 PolarHBondContact N-O 3.27Å; A55-Q66 PolarHBondContact O-N 3.06Å; A55-F222 HydrophobicContact CB-CB 3.91Å; A55-F222 HydrophobicContact CB-CD1 3.83Å; A55-F222 HydrophobicContact CB-CG 4.26Å; A55-P223 WeakPolarHBondContact CB-O 3.4Å
56	L	88.8	Confident	81.1	Confident	10 Å²	10	31.6 Å²	31.6	5%	0.052	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	116.1	-174.2	-176.2	70.7	0	0	0	108.8	I58 I63 I65 L132 F156 L161 L215 P223	L56-I58 HydrophobicContact CD2-CD1 4.32Å; L56-I58 HydrophobicContact CG-CD1 4.26Å; L56-I58 HydrophobicContact CG-CG1 4.48Å; L56-I63 HydrophobicContact CD1-CG2 3.89Å; L56-I65 HydrophobicContact CD1-CG1 3.9Å; L56-I65 HydrophobicContact CD1-CG2 4.4Å; L56-L132 HydrophobicContact CD1-CD2 3.63Å; L56-F156 HydrophobicContact CD2-CD1 4.21Å; L56-F156 HydrophobicContact CD2-CE1 4.5Å; L56-F156 HydrophobicContact CD2-CG 4.31Å; L56-L161 HydrophobicContact CD2-CD1 4.13Å; L56-L161 HydrophobicContact CD2-CD2 3.56Å; L56-L215 WeakPolarHBondContact O-CD1 3.26Å; L56-P223 WeakPolarHBondContact O-CG 3.09Å
57	H	84.6	Confident	83.4	Confident	30 Å²	30	29.1 Å²	29.1	14%	0.139	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	136	179.3	-180	-64.8	0	0	0	109.5	R64 F222 P223	H57-R64 HydrophobicContact CB-CB 4.26Å; H57-R64 PolarHBondContact CD2-NH2 3.48Å; H57-R64 PolarHBondContact CE1-NH2 3.39Å; H57-R64 VanDerWaalsContact CE1-NH2 3.34Å; H57-R64 PolarHBondContact N-O 3.2Å; H57-R64 PolarHBondContact ND1-NE 3.18Å; H57-R64 PolarHBondContact ND1-NH2 2.66Å; H57-R64 PolarHBondContact NE2-NH2 3.09Å; H57-R64 VanDerWaalsContact NE2-NH2 3.11Å; H57-R64 PolarHBondContact O-N 3.22Å; H57-F222 HydrophobicContact CB-CD1 4.48Å; H57-P223 HydrophobicContact CB-CG 4.32Å
58	I	82.3	Confident	85.4	Confident	11 Å²	11	29.7 Å²	29.7	6%	0.056	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	126.5	-176	-62.9	177.9	0	0	0	109.2	L56 C62 I63 I123 L161	L56-I58 HydrophobicContact CD2-CD1 4.32Å; L56-I58 HydrophobicContact CG-CD1 4.26Å; L56-I58 HydrophobicContact CG-CG1 4.48Å; I58-C62 WeakPolarHBondContact CA-O 3.45Å; I58-I63 HydrophobicContact CD1-CG1 4.16Å; I58-I63 HydrophobicContact CD1-CG2 4.3Å; I58-I63 HydrophobicContact CG1-CB 4.33Å; I58-I63 HydrophobicContact CG1-CG1 4.04Å; I58-I63 HydrophobicContact CG1-CG2 4.09Å; I58-I63 HydrophobicContact CG2-CG1 4.4Å; I58-I123 HydrophobicContact CG2-CD1 4.1Å; I58-L161 HydrophobicContact CD1-CB 3.56Å; I58-L161 HydrophobicContact CD1-CD1 3.64Å; I58-L161 HydrophobicContact CD1-CD2 3.9Å; I58-L161 HydrophobicContact CD1-CG 3.89Å
59	T	79.3	Confident	86.9	Confident	51 Å²	51	28.4 Å²	28.4	31%	0.313	15%	0.145	S	C	.	.			trans	-103.1	177.9	164.5	65.4	0	0	0	0	108.8	N61 C62 I123	T59-N61 PolarHBondContact O-N 3.15Å; T59-N61 PolarHBondContact OG1-N 3.05Å; T59-C62 PolarHBondContact N-O 3.04Å; T59-C62 PolarHBondContact OG1-N 2.73Å; T59-C62 PolarHBondContact OG1-O 3.22Å; T59-C62 PolarHBondContact OG1-SG 3.33Å; T59-I123 VanDerWaalsContact O-CD1 3.25Å; T59-I123 WeakPolarHBondContact O-CD1 3.35Å
60	D	75	Confident	87.8	Confident	100 Å²	100	27.7 Å²	27.7	54%	0.535	14%	0.142	S	C	.	.	S	Bend	trans	-57.5	-32.7	173.8	-54.4	-69.2	0	0	0	112.8	K162	D60-K162 WeakPolarHBondContact O-CE 3.36Å; D60-K162 PolarHBondContact O-NZ 2.89Å
61	N	78.3	Confident	88	Confident	119 Å²	119	31.1 Å²	31.1	64%	0.636	16%	0.155	S	C	*	.	S	Bend	trans	-111.9	-16.1	-170.9	-68.6	-5.8	0	0	0	114.9	T59 E122 I123	T59-N61 PolarHBondContact O-N 3.15Å; T59-N61 PolarHBondContact OG1-N 3.05Å; N61-E122 CarbonylContact O-C 3.58Å; N61-E122 WeakPolarHBondContact O-CA 3.46Å; N61-I123 PolarHBondContact O-N 3.45Å
62	C	83.7	Confident	87.6	Confident	33 Å²	33	33.7 Å²	33.7	22%	0.223	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	138.3	178.4	75.4	0	0	0	0	115.4	I58 T59 F121	I58-C62 WeakPolarHBondContact CA-O 3.45Å; T59-C62 PolarHBondContact N-O 3.04Å; T59-C62 PolarHBondContact OG1-N 2.73Å; T59-C62 PolarHBondContact OG1-O 3.22Å; T59-C62 PolarHBondContact OG1-SG 3.33Å; C62-F121 CarbonylContact C-O 3.53Å; C62-F121 VanDerWaalsContact CA-O 3.25Å; C62-F121 WeakPolarHBondContact CA-O 3.45Å
63	I	85.9	Confident	87.1	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	112.6	166.6	-61	169.5	0	0	0	107.5	L56 I58 I65 S120 F121 I123 I126 L132 I158	L56-I63 HydrophobicContact CD1-CG2 3.89Å; I58-I63 HydrophobicContact CD1-CG1 4.16Å; I58-I63 HydrophobicContact CD1-CG2 4.3Å; I58-I63 HydrophobicContact CG1-CB 4.33Å; I58-I63 HydrophobicContact CG1-CG1 4.04Å; I58-I63 HydrophobicContact CG1-CG2 4.09Å; I58-I63 HydrophobicContact CG2-CG1 4.4Å; I63-I65 HydrophobicContact CG2-CD1 4.47Å; I63-I65 HydrophobicContact CG2-CG1 4.01Å; I63-S120 CarbonylContact O-C 3.48Å; I63-S120 WeakPolarHBondContact O-CA 3.33Å; I63-F121 PolarHBondContact N-O 2.88Å; I63-F121 PolarHBondContact O-N 2.87Å; I63-I123 HydrophobicContact CD1-CD1 4.41Å; I63-I123 HydrophobicContact CD1-CG1 4.36Å; I63-I123 HydrophobicContact CG1-CD1 3.66Å; I63-I123 HydrophobicContact CG1-CG1 3.86Å; I63-I126 HydrophobicContact CD1-CD1 4.38Å; I63-L132 HydrophobicContact CG2-CD2 4.15Å; I63-I158 HydrophobicContact CD1-CD1 3.93Å; I63-I158 HydrophobicContact CD1-CG1 4.13Å; I63-I158 HydrophobicContact CD1-CG2 4.09Å
64	R	87.6	Confident	86	Confident	56 Å²	56	39.1 Å²	39.1	21%	0.211	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.8	172.6	-48.2	-172.4	-73.3	167.5	-2.9	109.5	H57 F119 D221 F222	H57-R64 HydrophobicContact CB-CB 4.26Å; H57-R64 PolarHBondContact CD2-NH2 3.48Å; H57-R64 PolarHBondContact CE1-NH2 3.39Å; H57-R64 VanDerWaalsContact CE1-NH2 3.34Å; H57-R64 PolarHBondContact N-O 3.2Å; H57-R64 PolarHBondContact ND1-NE 3.18Å; H57-R64 PolarHBondContact ND1-NH2 2.66Å; H57-R64 PolarHBondContact NE2-NH2 3.09Å; H57-R64 VanDerWaalsContact NE2-NH2 3.11Å; H57-R64 PolarHBondContact O-N 3.22Å; R64-F119 WeakPolarHBondContact CA-O 3.25Å; R64-D221 VanDerWaalsContact CZ-O 3.27Å; R64-D221 PolarHBondContact NH1-O 3.11Å; R64-D221 IonicContact NH1-OD1 3.08Å; R64-D221 PolarHBondContact NH2-O 3.02Å; R64-F222 HydrophobicContact CB-CE1 3.82Å; R64-F222 HydrophobicContact CB-CZ 3.81Å
65	I	91.3	Very high	84.9	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.6	179.6	-38.1	175.6	0	0	0	109.1	A55 L56 I63 I67 A87 K118 F119 F121 L132 I134	A55-I65 CarbonylContact O-C 3.58Å; A55-I65 WeakPolarHBondContact O-CA 3.48Å; L56-I65 HydrophobicContact CD1-CG1 3.9Å; L56-I65 HydrophobicContact CD1-CG2 4.4Å; I63-I65 HydrophobicContact CG2-CD1 4.47Å; I63-I65 HydrophobicContact CG2-CG1 4.01Å; I65-I67 HydrophobicContact CG2-CG1 4.19Å; I65-A87 HydrophobicContact CD1-CB 4.14Å; I65-K118 CarbonylContact O-C 3.51Å; I65-K118 WeakPolarHBondContact O-CA 3.5Å; I65-F119 PolarHBondContact N-O 2.83Å; I65-F119 PolarHBondContact O-N 2.8Å; I65-F121 HydrophobicContact CD1-CD2 4.11Å; I65-F121 HydrophobicContact CD1-CE2 3.68Å; I65-L132 HydrophobicContact CD1-CD1 3.49Å; I65-L132 VanDerWaalsContact CD1-CD1 3.49Å; I65-L132 HydrophobicContact CD1-CD2 3.58Å; I65-L132 HydrophobicContact CD1-CG 4.13Å; I65-L132 HydrophobicContact CG1-CD2 4.22Å; I65-I134 HydrophobicContact CD1-CD1 4.36Å; I65-I134 HydrophobicContact CG2-CD1 4.04Å
66	Q	93.3	Very high	83.6	Confident	31 Å²	31	43 Å²	43	15%	0.145	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	118.2	165.6	-169.1	175.1	-11.9	0	0	109.3	L54 A55 I68 N116 E117 K118 F222	L54-Q66 WeakPolarHBondContact CA-O 3.42Å; A55-Q66 HydrophobicContact CB-CB 4.21Å; A55-Q66 PolarHBondContact N-O 3.27Å; A55-Q66 PolarHBondContact O-N 3.06Å; Q66-I68 HydrophobicContact CB-CG1 4.38Å; Q66-I68 HydrophobicContact CG-CD1 4.48Å; Q66-I68 HydrophobicContact CG-CG1 3.77Å; Q66-N116 PolarHBondContact NE2-OD1 2.94Å; Q66-E117 CarbonylContact C-O 3.57Å; Q66-E117 WeakPolarHBondContact CA-O 3.26Å; Q66-K118 HydrophobicContact CB-CG 4.07Å; Q66-K118 HydrophobicContact CG-CG 3.76Å; Q66-K118 VanDerWaalsContact OE1-CE 3.29Å; Q66-F222 HydrophobicContact CB-CD1 3.87Å; Q66-F222 HydrophobicContact CB-CE1 3.82Å; Q66-F222 HydrophobicContact CB-CG 4.28Å; Q66-F222 HydrophobicContact CB-CZ 4.2Å
67	I	93.1	Very high	82	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	103.7	175.9	-50.8	-164.2	0	0	0	107.3	L52 L54 I65 V85 A87 T104 F115 N116 E117 F119 I134	L52-I67 HydrophobicContact CD1-CG2 4.07Å; L52-I67 HydrophobicContact CD2-CG2 4.42Å; L54-I67 HydrophobicContact CD2-CB 4.18Å; L54-I67 HydrophobicContact CD2-CG1 3.93Å; L54-I67 HydrophobicContact CD2-CG2 4.04Å; I65-I67 HydrophobicContact CG2-CG1 4.19Å; I67-V85 HydrophobicContact CD1-CB 4.13Å; I67-V85 HydrophobicContact CD1-CG1 3.58Å; I67-V85 HydrophobicContact CG2-CB 4.09Å; I67-V85 HydrophobicContact CG2-CG1 4.16Å; I67-V85 HydrophobicContact CG2-CG2 4.05Å; I67-A87 HydrophobicContact CD1-CB 4.34Å; I67-T104 HydrophobicContact CB-CG2 4.37Å; I67-T104 HydrophobicContact CD1-CG2 4.4Å; I67-T104 HydrophobicContact CG2-CG2 4.37Å; I67-F115 HydrophobicContact CG2-CB 4.47Å; I67-F115 HydrophobicContact CG2-CD2 4.09Å; I67-N116 VanDerWaalsContact O-CA 3.26Å; I67-N116 WeakPolarHBondContact O-CA 3.42Å; I67-N116 PolarHBondContact O-N 3.2Å; I67-E117 PolarHBondContact N-O 3.08Å; I67-E117 PolarHBondContact O-N 2.76Å; I67-E117 VanDerWaalsContact O-N 3.09Å; I67-F119 HydrophobicContact CD1-CD2 3.9Å; I67-F119 HydrophobicContact CD1-CE2 3.68Å; I67-F119 HydrophobicContact CG1-CD2 4.01Å; I67-F119 HydrophobicContact CG1-CE2 3.95Å; I67-I134 HydrophobicContact CD1-CG2 4.23Å
68	I	91.8	Very high	80.8	Confident	27 Å²	27	51 Å²	51	14%	0.138	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-64.5	-164.1	-60.3	164.3	0	0	0	110.3	Q53 Q66 F115 N116	Q53-I68 HydrophobicContact CB-CB 4.22Å; Q53-I68 HydrophobicContact CG-CB 4.28Å; Q53-I68 HydrophobicContact CG-CD1 4.12Å; Q53-I68 PolarHBondContact O-N 2.95Å; Q66-I68 HydrophobicContact CB-CG1 4.38Å; Q66-I68 HydrophobicContact CG-CD1 4.48Å; Q66-I68 HydrophobicContact CG-CG1 3.77Å; I68-F115 PolarHBondContact O-N 3.35Å; I68-N116 PolarHBondContact O-N 3.3Å
69	K	92.7	Very high	79.8	Confident	68 Å²	68	58.6 Å²	58.6	30%	0.296	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	155.9	-179.6	60.3	-174.1	169.1	-175.3	0	112.5	Q53 P113 V114 W227	Q53-K69 HydrophobicContact CB-CG 4.26Å; Q53-K69 PolarHBondContact N-O 3.33Å; K69-P113 CarbonylContact C-O 3.58Å; K69-P113 VanDerWaalsContact CA-O 3.24Å; K69-P113 WeakPolarHBondContact CA-O 3.42Å; K69-P113 WeakPolarHBondContact CB-O 3.45Å; K69-V114 HydrophobicContact CB-CB 4.29Å; K69-V114 HydrophobicContact CB-CG1 4.42Å; K69-V114 HydrophobicContact CB-CG2 3.96Å; K69-V114 HydrophobicContact CD-CG2 4.36Å; K69-W227 HydrophobicContact CD-CH2 4.4Å; K69-W227 HydrophobicContact CG-CH2 3.93Å
70	A	91.4	Very high	79.3	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.008	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	162.2	168.2	0	0	0	0	0	112	Q51 L52 L73 A112 P113 F115	Q51-A70 CarbonylContact O-C 3.54Å; Q51-A70 WeakPolarHBondContact O-CA 3.39Å; L52-A70 HydrophobicContact CD1-CB 3.91Å; A70-L73 HydrophobicContact CB-CD1 4.09Å; A70-L73 HydrophobicContact CB-CD2 4.15Å; A70-L73 HydrophobicContact CB-CG 4.21Å; A70-A112 CarbonylContact O-C 3.5Å; A70-A112 WeakPolarHBondContact O-CA 3.34Å; A70-P113 HydrophobicContact CB-CG 4.04Å; A70-P113 PolarHBondContact N-O 3.15Å; A70-F115 HydrophobicContact CB-CE2 4.43Å
71	R	87.6	Confident	79.4	Confident	71 Å²	71	53.6 Å²	53.6	27%	0.268	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	162.3	172.3	67.8	178.9	178.5	-174.7	-2.7	111.5	G50 Q51 L73 W227	G50-R71 WeakPolarHBondContact CA-O 3.25Å; Q51-R71 HydrophobicContact CB-CG 4.08Å; Q51-R71 PolarHBondContact N-O 2.9Å; Q51-R71 PolarHBondContact O-N 3.35Å; Q51-R71 VanDerWaalsContact OE1-CZ 3.23Å; R71-L73 VanDerWaalsContact C-N 3.25Å; R71-L73 PolarHBondContact O-N 2.78Å; R71-W227 HydrophobicContact CB-CH2 4.26Å; R71-W227 HydrophobicContact CB-CZ3 4.29Å; R71-W227 VanDerWaalsContact CD-CH2 3.44Å; R71-W227 HydrophobicContact CG-CE3 4.23Å; R71-W227 HydrophobicContact CG-CH2 3.7Å; R71-W227 HydrophobicContact CG-CZ3 3.49Å; R71-W227 VanDerWaalsContact CG-CZ3 3.49Å
72	Y	82.7	Confident	79.8	Confident	67 Å²	67	49.2 Å²	49.2	26%	0.263	25%	0.251	S	S	.	.	S	Bend	trans	58.9	31.3	-179.1	-46.6	-56.7	0	0	0	113.9	G50 Q51	G50-Y72 WeakPolarHBondContact CA-O 3.34Å; Q51-Y72 HydrophobicContact CG-CD2 4.32Å
73	L	80.9	Confident	80	Confident	14 Å²	14	47.7 Å²	47.7	7%	0.073	24%	0.241	C	C	.	.			trans	-70	141.5	177.6	-61.6	-177.6	0	0	0	111.8	Q49 A70 R71 V75 M83 T111 P113 L136 L230	Q49-L73 WeakPolarHBondContact O-CA 3.25Å; A70-L73 HydrophobicContact CB-CD1 4.09Å; A70-L73 HydrophobicContact CB-CD2 4.15Å; A70-L73 HydrophobicContact CB-CG 4.21Å; R71-L73 VanDerWaalsContact C-N 3.25Å; R71-L73 PolarHBondContact O-N 2.78Å; L73-V75 HydrophobicContact CB-CG2 3.92Å; L73-M83 HydrophobicContact CD1-SD 3.76Å; L73-T111 WeakPolarHBondContact CB-O 3.43Å; L73-T111 PolarHBondContact N-O 2.95Å; L73-P113 VanDerWaalsContact CD1-CD 3.43Å; L73-P113 HydrophobicContact CD1-CG 3.75Å; L73-L136 HydrophobicContact CD1-CD2 3.82Å; L73-L136 HydrophobicContact CD2-CD2 3.43Å; L73-L136 VanDerWaalsContact CD2-CD2 3.43Å; L73-L136 HydrophobicContact CG-CD2 4.3Å; L73-L230 HydrophobicContact CD2-CD1 3.6Å
74	Q	70.4	Confident	80.3	Confident	126 Å²	126	48.1 Å²	48.1	59%	0.589	24%	0.243	S	C	*	.			trans	-96.9	97.4	168.3	-65.5	-178.6	-3.5	0	0	109.1	Q49	Q49-Q74 PolarHBondContact O-N 3.11Å
75	V	70.1	Confident	80.6	Confident	33 Å²	33	45.5 Å²	45.5	20%	0.2	23%	0.233	C	C	.	.			trans	-105.7	148.1	-179.2	-173.3	0	0	0	0	108.8	L73 M83 T111 L138	L73-V75 HydrophobicContact CB-CG2 3.92Å; V75-M83 HydrophobicContact CG2-CE 4.41Å; V75-M83 HydrophobicContact CG2-SD 3.88Å; V75-T111 HydrophobicContact CB-CG2 4.42Å; V75-T111 HydrophobicContact CG2-CG2 4.23Å; V75-L138 HydrophobicContact CG1-CD1 3.92Å; V75-L138 HydrophobicContact CG1-CD2 4.42Å
76	P	64.4	Low	80.6	Confident	54 Å²	54	46.3 Å²	46.3	35%	0.351	24%	0.237	S	C	.	.			trans	-54.5	166.3	168	-25.6	36.1	0	0	0	113.1	Y81 L138	P76-Y81 HydrophobicContact CB-CE2 3.81Å; P76-Y81 HydrophobicContact CG-CE2 4.24Å; P76-L138 VanDerWaalsContact CD-CD2 3.41Å; P76-L138 HydrophobicContact CG-CD2 3.88Å
77	V	54.5	Low	80.5	Confident	104 Å²	104	44.8 Å²	44.8	63%	0.63	23%	0.23	S	C	*	.	S	Bend	trans	-97.5	-6.2	-173.2	-167.6	0	0	0	0	112.2	K329	V77-K329 HydrophobicContact CG1-CD 3.93Å
78	D	60.5	Low	80.3	Confident	104 Å²	104	45.4 Å²	45.4	56%	0.556	23%	0.232	S	C	*	.	S	Bend	trans	-85.7	152.4	-179.9	-33.4	-72.3	0	0	0	110.6	Y81	D78-Y81 HydrophobicContact CB-CE2 4.04Å; D78-Y81 WeakPolarHBondContact O-CD2 3.36Å; D78-Y81 VanDerWaalsContact O-CE2 3.27Å; D78-Y81 WeakPolarHBondContact O-CE2 3.49Å
79	E	61.1	Low	80	Confident	172 Å²	172	44.1 Å²	44.1	80%	0.804	23%	0.225	S	C	*	.	S	Bend	trans	-86.2	156.2	-174.5	-61.8	178.2	167.9	0	0	113.1
80	G	68	Low	79.6	Confident	28 Å²	28	40.9 Å²	40.9	29%	0.289	21%	0.211	S	C	.	.			trans	89.3	34	173.2	0	0	0	0	0	114.3	D109 S141	G80-D109 WeakPolarHBondContact CA-OD2 3.34Å; G80-D109 PolarHBondContact N-OD1 2.92Å; G80-D109 PolarHBondContact N-OD2 2.88Å; G80-S141 WeakPolarHBondContact O-CB 3.45Å; G80-S141 PolarHBondContact O-N 2.85Å
81	Y	78.8	Confident	79.2	Confident	18 Å²	18	42.8 Å²	42.8	7%	0.071	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	154.2	167.1	-63.7	-85.3	0	0	0	112	P76 D78 P108 D109 L138 Q140	P76-Y81 HydrophobicContact CB-CE2 3.81Å; P76-Y81 HydrophobicContact CG-CE2 4.24Å; D78-Y81 HydrophobicContact CB-CE2 4.04Å; D78-Y81 WeakPolarHBondContact O-CD2 3.36Å; D78-Y81 VanDerWaalsContact O-CE2 3.27Å; D78-Y81 WeakPolarHBondContact O-CE2 3.49Å; Y81-P108 WeakPolarHBondContact O-CA 3.42Å; Y81-D109 PolarHBondContact N-OD1 2.91Å; Y81-D109 PolarHBondContact O-N 3.3Å; Y81-D109 VanDerWaalsContact O-OD1 3.13Å; Y81-L138 HydrophobicContact CD1-CD1 4.21Å; Y81-L138 HydrophobicContact CD1-CD2 3.84Å; Y81-L138 HydrophobicContact CD1-CG 3.78Å; Y81-L138 HydrophobicContact CE1-CD2 4.21Å; Y81-L138 HydrophobicContact CG-CD1 4.04Å; Y81-L138 HydrophobicContact CG-CD2 4.22Å; Y81-L138 HydrophobicContact CG-CG 4.13Å; Y81-Q140 HydrophobicContact CD1-CB 3.61Å; Y81-Q140 HydrophobicContact CD1-CG 3.82Å; Y81-Q140 HydrophobicContact CE1-CB 3.57Å; Y81-Q140 HydrophobicContact CE1-CG 3.6Å; Y81-Q140 PolarHBondContact OH-NE2 2.85Å
82	T	85.7	Confident	78.6	Confident	27 Å²	27	41.4 Å²	41.4	17%	0.166	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	133.4	179.3	63.9	0	0	0	0	110	P108 L138 N139	T82-P108 HydrophobicContact CG2-CB 4.37Å; T82-L138 CarbonylContact O-C 3.59Å; T82-N139 PolarHBondContact N-O 3.18Å; T82-N139 PolarHBondContact O-N 3.04Å; T82-N139 PolarHBondContact OG1-O 3.34Å
83	M	88.7	Confident	78.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.8	-178.7	-81.9	152.4	-75.1	0	0	111.6	L73 V75 S106 V107 C110 P113 L136 Y137 L138 L151	L73-M83 HydrophobicContact CD1-SD 3.76Å; V75-M83 HydrophobicContact CG2-CE 4.41Å; V75-M83 HydrophobicContact CG2-SD 3.88Å; M83-S106 CarbonylContact O-C 3.52Å; M83-S106 VanDerWaalsContact O-CA 3.32Å; M83-S106 WeakPolarHBondContact O-CA 3.31Å; M83-V107 PolarHBondContact N-O 2.89Å; M83-V107 PolarHBondContact O-N 3.31Å; M83-C110 WeakPolarHBondContact CE-O 3.37Å; M83-P113 HydrophobicContact SD-CG 4.45Å; M83-L136 HydrophobicContact CB-CD1 4.41Å; M83-Y137 VanDerWaalsContact CA-O 3.25Å; M83-Y137 WeakPolarHBondContact CA-O 3.27Å; M83-L138 HydrophobicContact CE-CD1 4.08Å; M83-L138 HydrophobicContact CG-CB 4.44Å; M83-L138 HydrophobicContact CG-CD1 3.6Å; M83-L138 HydrophobicContact SD-CD1 3.99Å; M83-L151 HydrophobicContact CG-CD1 3.95Å; M83-L151 HydrophobicContact SD-CD1 4.07Å
84	F	91.8	Very high	77.7	Confident	10 Å²	10	48.9 Å²	48.9	4%	0.044	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	150.8	171.8	64.9	-89.8	0	0	0	110.1	R103 T104 Y137 N139 Y145 A148	F84-R103 HydrophobicContact CD2-CB 4.34Å; F84-T104 WeakPolarHBondContact CA-OG1 3.26Å; F84-Y137 HydrophobicContact CD2-CD2 4.46Å; F84-Y137 AromaticContact CE2-CD2 3.81Å; F84-Y137 HydrophobicContact CE2-CD2 3.81Å; F84-Y137 HydrophobicContact CE2-CG 4.06Å; F84-Y137 HydrophobicContact CZ-CD2 4.18Å; F84-Y137 AromaticContact CZ-CG 3.97Å; F84-Y137 HydrophobicContact CZ-CG 3.97Å; F84-Y137 PolarHBondContact N-O 3.44Å; F84-Y137 PolarHBondContact O-N 3.45Å; F84-N139 HydrophobicContact CE1-CB 4.14Å; F84-Y145 HydrophobicContact CE1-CD1 4.05Å; F84-Y145 HydrophobicContact CE1-CE1 4.41Å; F84-Y145 HydrophobicContact CZ-CD1 4.48Å; F84-A148 HydrophobicContact CE1-CB 4.12Å; F84-A148 HydrophobicContact CZ-CB 4.06Å
85	V	93.3	Very high	77.6	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	133.3	169.6	-176.7	0	0	0	0	108.7	L52 I67 R103 T104 F115 I134 E135 L136	L52-V85 HydrophobicContact CD1-CG2 4.17Å; L52-V85 HydrophobicContact CD2-CG1 4.25Å; L52-V85 HydrophobicContact CD2-CG2 4.4Å; I67-V85 HydrophobicContact CD1-CB 4.13Å; I67-V85 HydrophobicContact CD1-CG1 3.58Å; I67-V85 HydrophobicContact CG2-CB 4.09Å; I67-V85 HydrophobicContact CG2-CG1 4.16Å; I67-V85 HydrophobicContact CG2-CG2 4.05Å; V85-R103 CarbonylContact O-C 3.46Å; V85-R103 WeakPolarHBondContact O-CA 3.36Å; V85-T104 HydrophobicContact CB-CG2 4.01Å; V85-T104 PolarHBondContact N-OG1 2.88Å; V85-T104 PolarHBondContact O-N 2.89Å; V85-F115 HydrophobicContact CG2-CD2 4.09Å; V85-F115 HydrophobicContact CG2-CE1 4.33Å; V85-F115 HydrophobicContact CG2-CE2 3.59Å; V85-F115 HydrophobicContact CG2-CZ 3.73Å; V85-I134 HydrophobicContact CG1-CG2 3.54Å; V85-E135 CarbonylContact C-O 3.31Å; V85-E135 WeakPolarHBondContact CA-O 3.4Å; V85-L136 HydrophobicContact CG2-CB 4.35Å; V85-L136 HydrophobicContact CG2-CD1 3.51Å
86	E	92.1	Very high	77.5	Confident	17 Å²	17	48.1 Å²	48.1	8%	0.079	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	134.4	169	-175.3	166.7	124.7	0	0	109.6	Q101 L102 I134 E135 Y137	E86-Q101 HydrophobicContact CG-CG 3.93Å; E86-Q101 WeakPolarHBondContact OE1-CG 3.48Å; E86-Q101 PolarHBondContact OE1-NE2 3.4Å; E86-Q101 VanDerWaalsContact OE1-NE2 3.09Å; E86-Q101 PolarHBondContact OE2-NE2 3.46Å; E86-L102 CarbonylContact C-O 3.6Å; E86-L102 WeakPolarHBondContact CA-O 3.46Å; E86-I134 CarbonylContact O-C 3.5Å; E86-I134 WeakPolarHBondContact O-CA 3.38Å; E86-E135 PolarHBondContact N-O 2.84Å; E86-E135 PolarHBondContact O-N 2.92Å; E86-Y137 HydrophobicContact CB-CD2 4.4Å; E86-Y137 HydrophobicContact CB-CE2 4.16Å
87	A	91.7	Very high	77.6	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.3	168	0	0	0	0	0	108.4	I65 I67 L102 F119 F121 Y133 I134	I65-A87 HydrophobicContact CD1-CB 4.14Å; I67-A87 HydrophobicContact CD1-CB 4.34Å; A87-L102 PolarHBondContact N-O 3.4Å; A87-L102 PolarHBondContact O-N 3Å; A87-L102 VanDerWaalsContact O-O 3.14Å; A87-F119 HydrophobicContact CB-CD2 4.48Å; A87-F121 HydrophobicContact CB-CE2 4.14Å; A87-F121 HydrophobicContact CB-CZ 4.08Å; A87-Y133 WeakPolarHBondContact CA-O 3.49Å; A87-I134 HydrophobicContact CB-CG1 4.41Å
88	R	87.6	Confident	77.8	Confident	13 Å²	13	47.5 Å²	47.5	5%	0.049	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	143.5	-172.8	167.9	172.4	58.6	176.6	-2.7	111	A90 P95 N98 Y100 L132 Y133 E135	R88-A90 HydrophobicContact CG-CB 4.4Å; R88-P95 PolarHBondContact NE-O 3.02Å; R88-P95 PolarHBondContact NH1-O 2.93Å; R88-N98 WeakPolarHBondContact CD-OD1 3.14Å; R88-N98 PolarHBondContact NH1-OD1 3.01Å; R88-Y100 CarbonylContact C-O 3.54Å; R88-Y100 VanDerWaalsContact CA-O 3.25Å; R88-Y100 WeakPolarHBondContact CA-O 3.36Å; R88-L132 CarbonylContact O-C 3.56Å; R88-Y133 PolarHBondContact N-O 2.93Å; R88-Y133 PolarHBondContact O-N 3.07Å; R88-E135 IonicContact CZ-OE1 3.84Å; R88-E135 IonicContact NE-OE1 2.78Å; R88-E135 IonicContact NH2-OE1 3.52Å; R88-E135 PolarHBondContact NH2-OE1 2.8Å; R88-E135 IonicContact NH2-OE2 2.73Å
89	I	86.4	Confident	77.9	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.7	165.3	-68	143.2	0	0	0	108.3	T99 Y100 F121 I126 D130 R131 L132 I158	I89-T99 WeakPolarHBondContact O-CB 3.21Å; I89-T99 PolarHBondContact O-N 2.73Å; I89-T99 PolarHBondContact O-OG1 3.26Å; I89-Y100 HydrophobicContact CB-CD2 4.5Å; I89-Y100 HydrophobicContact CD1-CD2 4.49Å; I89-Y100 PolarHBondContact N-O 3.23Å; I89-Y100 PolarHBondContact O-N 3.44Å; I89-F121 HydrophobicContact CD1-CB 3.48Å; I89-F121 VanDerWaalsContact CD1-CB 3.48Å; I89-F121 HydrophobicContact CD1-CD1 3.57Å; I89-F121 HydrophobicContact CD1-CD2 3.73Å; I89-F121 HydrophobicContact CD1-CE1 4.12Å; I89-F121 HydrophobicContact CD1-CE2 4.27Å; I89-F121 HydrophobicContact CD1-CG 3.33Å; I89-F121 HydrophobicContact CD1-CZ 4.44Å; I89-I126 HydrophobicContact CD1-CD1 3.69Å; I89-I126 HydrophobicContact CG1-CD1 4.43Å; I89-I126 HydrophobicContact CG2-CD1 4.16Å; I89-I126 HydrophobicContact CG2-CG1 4.27Å; I89-I126 HydrophobicContact CG2-CG2 4.03Å; I89-D130 HydrophobicContact CG2-CB 4.17Å; I89-R131 WeakPolarHBondContact CA-O 3.48Å; I89-L132 HydrophobicContact CG1-CD1 4.33Å; I89-I158 HydrophobicContact CG1-CD1 4.17Å; I89-I158 HydrophobicContact CG2-CD1 3.99Å
90	A	84.5	Confident	78.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	162.6	176.4	0	0	0	0	0	111	R88 P95 T97 R131 Y133	R88-A90 HydrophobicContact CG-CB 4.4Å; A90-P95 WeakPolarHBondContact CB-O 3.21Å; A90-T97 VanDerWaalsContact CB-O 3.26Å; A90-T97 WeakPolarHBondContact CB-O 3.32Å; A90-R131 PolarHBondContact N-O 3.14Å; A90-R131 PolarHBondContact O-N 3.03Å; A90-Y133 HydrophobicContact CB-CD2 4.25Å; A90-Y133 HydrophobicContact CB-CE2 3.81Å; A90-Y133 WeakPolarHBondContact O-CE2 3.45Å
91	P	82.5	Confident	79.1	Confident	40 Å²	40	44.4 Å²	44.4	26%	0.26	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	143.9	175.5	-19.5	32.9	0	0	0	112.9	Y93 S94 T97 D130 Y133	P91-Y93 PolarHBondContact O-N 3.37Å; P91-S94 CarbonylContact O-C 3.33Å; P91-S94 VanDerWaalsContact O-C 3.31Å; P91-S94 PolarHBondContact O-N 3.13Å; P91-T97 WeakPolarHBondContact CD-OG1 3.41Å; P91-D130 VanDerWaalsContact CA-OD1 3.26Å; P91-D130 WeakPolarHBondContact CA-OD1 3.47Å; P91-Y133 PolarHBondContact O-OH 2.83Å
92	K	74.5	Confident	79.4	Confident	43 Å²	43	46.7 Å²	46.7	19%	0.187	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-36.4	-177.8	175.8	178.2	176.7	-172.3	0	114.8	R131	K92-R131 HydrophobicContact CB-CG 4.23Å
93	Y	73	Confident	79.6	Confident	196 Å²	196	51.4 Å²	51.4	77%	0.769	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-9.2	-175.5	-60.7	-83.2	0	0	0	113.9	P91	P91-Y93 PolarHBondContact O-N 3.37Å
94	S	72.9	Confident	79.8	Confident	41 Å²	41	51.6 Å²	51.6	29%	0.287	25%	0.253	S	S	.	.			trans	-139.5	64.9	-178.3	59.8	0	0	0	0	110.8	P91 N96 T97	P91-S94 CarbonylContact O-C 3.33Å; P91-S94 VanDerWaalsContact O-C 3.31Å; P91-S94 PolarHBondContact O-N 3.13Å; S94-N96 PolarHBondContact O-N 2.85Å; S94-T97 WeakPolarHBondContact CB-OG1 3.39Å; S94-T97 PolarHBondContact O-N 3.35Å; S94-T97 PolarHBondContact O-OG1 2.9Å; S94-T97 PolarHBondContact OG-OG1 3.34Å
95	P	67.5	Low	79.6	Confident	23 Å²	23	58.7 Å²	58.7	15%	0.149	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-27.7	-179	22.5	-34.1	0	0	0	113	R88 A90 Y133 Y237	R88-P95 PolarHBondContact NE-O 3.02Å; R88-P95 PolarHBondContact NH1-O 2.93Å; A90-P95 WeakPolarHBondContact CB-O 3.21Å; P95-Y133 HydrophobicContact CB-CE1 4Å; P95-Y133 HydrophobicContact CB-CE2 4.37Å; P95-Y237 HydrophobicContact CB-CD1 4.09Å; P95-Y237 HydrophobicContact CB-CE1 4.26Å; P95-Y237 HydrophobicContact CB-CG 4.33Å; P95-Y237 HydrophobicContact CG-CD2 4.29Å; P95-Y237 HydrophobicContact CG-CE2 4.41Å; P95-Y237 HydrophobicContact CG-CG 4.35Å
96	N	68	Low	79.3	Confident	120 Å²	120	60.7 Å²	60.7	64%	0.642	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-8.8	179.1	-64.4	-2.3	0	0	0	114.7	S94 N98	S94-N96 PolarHBondContact O-N 2.85Å; N96-N98 PolarHBondContact O-N 2.94Å; N96-N98 PolarHBondContact O-OD1 3.4Å
97	T	66.1	Low	79.1	Confident	74 Å²	74	61.4 Å²	61.4	45%	0.454	30%	0.303	S	S	.	.	S	Bend	trans	-88.5	91.1	173.6	56.8	0	0	0	0	109	A90 P91 S94 T99	A90-T97 VanDerWaalsContact CB-O 3.26Å; A90-T97 WeakPolarHBondContact CB-O 3.32Å; P91-T97 WeakPolarHBondContact CD-OG1 3.41Å; S94-T97 WeakPolarHBondContact CB-OG1 3.39Å; S94-T97 PolarHBondContact O-N 3.35Å; S94-T97 PolarHBondContact O-OG1 2.9Å; S94-T97 PolarHBondContact OG-OG1 3.34Å; T97-T99 PolarHBondContact O-N 3.22Å; T97-T99 VanDerWaalsContact O-N 3.14Å
98	N	59	Low	78.6	Confident	72 Å²	72	65.4 Å²	65.4	39%	0.385	33%	0.329	S	S	.	.			trans	-67.1	109.4	-175.5	-60.7	-0.9	0	0	0	110.6	R88 N96 Q101	R88-N98 WeakPolarHBondContact CD-OD1 3.14Å; R88-N98 PolarHBondContact NH1-OD1 3.01Å; N96-N98 PolarHBondContact O-N 2.94Å; N96-N98 PolarHBondContact O-OD1 3.4Å; N98-Q101 PolarHBondContact ND2-OE1 2.79Å
99	T	62.2	Low	77.8	Confident	63 Å²	63	69.1 Å²	69.1	39%	0.387	35%	0.35	S	S	.	.	S	Bend	trans	-82	-45.8	171.1	-34	0	0	0	0	110	I89 T97	I89-T99 WeakPolarHBondContact O-CB 3.21Å; I89-T99 PolarHBondContact O-N 2.73Å; I89-T99 PolarHBondContact O-OG1 3.26Å; T97-T99 PolarHBondContact O-N 3.22Å; T97-T99 VanDerWaalsContact O-N 3.14Å
100	Y	72.9	Confident	77.3	Confident	78 Å²	78	71.3 Å²	71.3	31%	0.306	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	142	170.6	-62.5	-82.8	0	0	0	109.6	R88 I89 F121 I126	R88-Y100 CarbonylContact C-O 3.54Å; R88-Y100 VanDerWaalsContact CA-O 3.25Å; R88-Y100 WeakPolarHBondContact CA-O 3.36Å; I89-Y100 HydrophobicContact CB-CD2 4.5Å; I89-Y100 HydrophobicContact CD1-CD2 4.49Å; I89-Y100 PolarHBondContact N-O 3.23Å; I89-Y100 PolarHBondContact O-N 3.44Å; Y100-F121 HydrophobicContact CG-CD1 4.23Å; Y100-I126 HydrophobicContact CD2-CG1 4.47Å; Y100-I126 HydrophobicContact CE2-CG1 4.17Å
101	Q	82.2	Confident	77	Confident	98 Å²	98	75.6 Å²	75.6	46%	0.458	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	124.4	-177.9	-175.6	-171.9	0.3	0	0	109.1	E86 N98	E86-Q101 HydrophobicContact CG-CG 3.93Å; E86-Q101 WeakPolarHBondContact OE1-CG 3.48Å; E86-Q101 PolarHBondContact OE1-NE2 3.4Å; E86-Q101 VanDerWaalsContact OE1-NE2 3.09Å; E86-Q101 PolarHBondContact OE2-NE2 3.46Å; N98-Q101 PolarHBondContact ND2-OE1 2.79Å
102	L	85.6	Confident	77.1	Confident	66 Å²	66	75.6 Å²	75.6	35%	0.346	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.9	174.7	-66.1	174	0	0	0	108.8	E86 A87 F119 F121	E86-L102 CarbonylContact C-O 3.6Å; E86-L102 WeakPolarHBondContact CA-O 3.46Å; A87-L102 PolarHBondContact N-O 3.4Å; A87-L102 PolarHBondContact O-N 3Å; A87-L102 VanDerWaalsContact O-O 3.14Å; L102-F119 HydrophobicContact CB-CD1 3.67Å; L102-F119 HydrophobicContact CB-CE1 4.03Å; L102-F119 HydrophobicContact CB-CG 4.16Å; L102-F119 HydrophobicContact CD1-CB 3.94Å; L102-F119 HydrophobicContact CD1-CD1 3.87Å; L102-F119 HydrophobicContact CD1-CG 4.23Å; L102-F119 HydrophobicContact CG-CD1 4.32Å; L102-F121 HydrophobicContact CB-CE1 4.25Å; L102-F121 HydrophobicContact CB-CZ 3.99Å; L102-F121 HydrophobicContact CD1-CD1 4.05Å; L102-F121 HydrophobicContact CD1-CE1 3.51Å; L102-F121 HydrophobicContact CD1-CE2 4.29Å; L102-F121 HydrophobicContact CD1-CZ 3.66Å; L102-F121 HydrophobicContact CG-CE1 3.67Å; L102-F121 HydrophobicContact CG-CZ 3.89Å
103	R	89.2	Confident	77.7	Confident	125 Å²	125	73.6 Å²	73.6	47%	0.472	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	148.2	-177.8	67.2	-180	-176.8	164.7	3.3	111.8	F84 V85	F84-R103 HydrophobicContact CD2-CB 4.34Å; V85-R103 CarbonylContact O-C 3.46Å; V85-R103 WeakPolarHBondContact O-CA 3.36Å
104	T	91.7	Very high	78.6	Confident	5 Å²	5	67.7 Å²	67.7	3%	0.031	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-70.3	165.3	171.7	67.6	0	0	0	0	111.3	I67 F84 V85 F115 E117 F119	I67-T104 HydrophobicContact CB-CG2 4.37Å; I67-T104 HydrophobicContact CD1-CG2 4.4Å; I67-T104 HydrophobicContact CG2-CG2 4.37Å; F84-T104 WeakPolarHBondContact CA-OG1 3.26Å; V85-T104 HydrophobicContact CB-CG2 4.01Å; V85-T104 PolarHBondContact N-OG1 2.88Å; V85-T104 PolarHBondContact O-N 2.89Å; T104-F115 HydrophobicContact CG2-CB 3.97Å; T104-F115 HydrophobicContact CG2-CD1 4.05Å; T104-F115 HydrophobicContact CG2-CG 4.08Å; T104-F115 VanDerWaalsContact OG1-CD1 3.31Å; T104-F115 WeakPolarHBondContact OG1-CD1 3.44Å; T104-E117 WeakPolarHBondContact CA-OE2 3.36Å; T104-E117 WeakPolarHBondContact CB-OE1 3.36Å; T104-E117 HydrophobicContact CG2-CB 4.34Å; T104-F119 HydrophobicContact CG2-CE2 3.81Å; T104-F119 HydrophobicContact CG2-CZ 3.84Å
105	K	88.8	Confident	79.5	Confident	159 Å²	159	66.6 Å²	66.6	69%	0.691	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-57.4	149.3	158.7	-62.8	167.4	-173.8	174.4	0	109.7	E117	K105-E117 WeakPolarHBondContact CB-OE1 3.46Å; K105-E117 WeakPolarHBondContact CG-OE1 3.14Å; K105-E117 PolarHBondContact N-OE1 3.26Å; K105-E117 PolarHBondContact N-OE2 2.84Å
106	S	87.5	Confident	80.6	Confident	42 Å²	42	70 Å²	70	29%	0.294	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-83.6	125	178.2	-51.5	0	0	0	0	110.9	M83	M83-S106 CarbonylContact O-C 3.52Å; M83-S106 VanDerWaalsContact O-CA 3.32Å; M83-S106 WeakPolarHBondContact O-CA 3.31Å
107	V	86.3	Confident	81.7	Confident	32 Å²	32	66.1 Å²	66.1	19%	0.194	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	118.6	177.1	-177.5	0	0	0	0	109.2	M83 C110 P113 F115	M83-V107 PolarHBondContact N-O 2.89Å; M83-V107 PolarHBondContact O-N 3.31Å; V107-C110 HydrophobicContact CG1-CB 4.04Å; V107-P113 HydrophobicContact CB-CB 3.82Å; V107-P113 HydrophobicContact CG1-CB 3.75Å; V107-P113 HydrophobicContact CG2-CB 4.12Å; V107-F115 HydrophobicContact CB-CE1 4.41Å; V107-F115 HydrophobicContact CG2-CD1 3.77Å; V107-F115 HydrophobicContact CG2-CE1 3.76Å
108	P	82.1	Confident	82.8	Confident	84 Å²	84	68.1 Å²	68.1	55%	0.545	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	145.7	179.8	29.3	-34.5	0	0	0	112.7	Y81 T82 C110	Y81-P108 WeakPolarHBondContact O-CA 3.42Å; T82-P108 HydrophobicContact CG2-CB 4.37Å; P108-C110 VanDerWaalsContact C-N 3.28Å; P108-C110 WeakPolarHBondContact O-CB 3.38Å; P108-C110 PolarHBondContact O-N 2.78Å
109	D	71.7	Confident	84.2	Confident	91 Å²	91	65.6 Å²	65.6	49%	0.487	34%	0.343	S	S	.	.	S	Bend	trans	39.2	41.4	159.7	-64.2	-38.9	0	0	0	117.3	G80 Y81	G80-D109 WeakPolarHBondContact CA-OD2 3.34Å; G80-D109 PolarHBondContact N-OD1 2.92Å; G80-D109 PolarHBondContact N-OD2 2.88Å; Y81-D109 PolarHBondContact N-OD1 2.91Å; Y81-D109 PolarHBondContact O-N 3.3Å; Y81-D109 VanDerWaalsContact O-OD1 3.13Å
110	C	74.9	Confident	85.3	Confident	45 Å²	45	66 Å²	66	30%	0.304	35%	0.348	S	S	.	.			trans	-124.3	126.1	-176.5	-170.1	0	0	0	0	113.1	M83 V107 P108 A112 P113	M83-C110 WeakPolarHBondContact CE-O 3.37Å; V107-C110 HydrophobicContact CG1-CB 4.04Å; P108-C110 VanDerWaalsContact C-N 3.28Å; P108-C110 WeakPolarHBondContact O-CB 3.38Å; P108-C110 PolarHBondContact O-N 2.78Å; C110-A112 VanDerWaalsContact C-N 3.28Å; C110-A112 PolarHBondContact O-N 2.8Å; C110-P113 HydrophobicContact CB-CB 4.44Å; C110-P113 WeakPolarHBondContact O-CD 3.25Å
111	T	78.8	Confident	85.8	Confident	91 Å²	91	62.7 Å²	62.7	56%	0.558	34%	0.335	S	S	*	.	S	Bend	trans	-80.6	-3.2	177.8	56	0	0	0	0	114.6	L73 V75	L73-T111 WeakPolarHBondContact CB-O 3.43Å; L73-T111 PolarHBondContact N-O 2.95Å; V75-T111 HydrophobicContact CB-CG2 4.42Å; V75-T111 HydrophobicContact CG2-CG2 4.23Å
112	A	84.2	Confident	85.7	Confident	40 Å²	40	64.2 Å²	64.2	33%	0.331	34%	0.343	S	S	.	.	S	Bend	trans	-142.1	60.5	175.2	0	0	0	0	0	111	A70 C110 V114	A70-A112 CarbonylContact O-C 3.5Å; A70-A112 WeakPolarHBondContact O-CA 3.34Å; C110-A112 VanDerWaalsContact C-N 3.28Å; C110-A112 PolarHBondContact O-N 2.8Å; A112-V114 PolarHBondContact O-N 3.06Å
113	P	88.2	Confident	85	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.328	C	S	.	.			trans	-65.2	134.8	-170.7	28	-34.7	0	0	0	111.1	K69 A70 L73 M83 V107 C110 F115	K69-P113 CarbonylContact C-O 3.58Å; K69-P113 VanDerWaalsContact CA-O 3.24Å; K69-P113 WeakPolarHBondContact CA-O 3.42Å; K69-P113 WeakPolarHBondContact CB-O 3.45Å; A70-P113 HydrophobicContact CB-CG 4.04Å; A70-P113 PolarHBondContact N-O 3.15Å; L73-P113 VanDerWaalsContact CD1-CD 3.43Å; L73-P113 HydrophobicContact CD1-CG 3.75Å; M83-P113 HydrophobicContact SD-CG 4.45Å; V107-P113 HydrophobicContact CB-CB 3.82Å; V107-P113 HydrophobicContact CG1-CB 3.75Å; V107-P113 HydrophobicContact CG2-CB 4.12Å; C110-P113 HydrophobicContact CB-CB 4.44Å; C110-P113 WeakPolarHBondContact O-CD 3.25Å; P113-F115 HydrophobicContact CB-CE1 4.2Å; P113-F115 HydrophobicContact CB-CE2 4.1Å; P113-F115 HydrophobicContact CB-CZ 3.73Å; P113-F115 HydrophobicContact CG-CE2 3.85Å; P113-F115 HydrophobicContact CG-CZ 3.6Å
114	V	91.2	Very high	83.9	Confident	73 Å²	73	59.2 Å²	59.2	44%	0.442	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	122.4	173	-178.3	0	0	0	0	107.7	K69 A112 N116	K69-V114 HydrophobicContact CB-CB 4.29Å; K69-V114 HydrophobicContact CB-CG1 4.42Å; K69-V114 HydrophobicContact CB-CG2 3.96Å; K69-V114 HydrophobicContact CD-CG2 4.36Å; A112-V114 PolarHBondContact O-N 3.06Å; V114-N116 HydrophobicContact CG1-CB 4.35Å
115	F	92.3	Very high	82.5	Confident	17 Å²	17	65.5 Å²	65.5	8%	0.075	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-51.6	178.8	-54.1	-77.7	0	0	0	109.7	L52 I67 I68 A70 V85 T104 V107 P113 E117 L136	L52-F115 HydrophobicContact CD1-CE2 4.34Å; I67-F115 HydrophobicContact CG2-CB 4.47Å; I67-F115 HydrophobicContact CG2-CD2 4.09Å; I68-F115 PolarHBondContact O-N 3.35Å; A70-F115 HydrophobicContact CB-CE2 4.43Å; V85-F115 HydrophobicContact CG2-CD2 4.09Å; V85-F115 HydrophobicContact CG2-CE1 4.33Å; V85-F115 HydrophobicContact CG2-CE2 3.59Å; V85-F115 HydrophobicContact CG2-CZ 3.73Å; T104-F115 HydrophobicContact CG2-CB 3.97Å; T104-F115 HydrophobicContact CG2-CD1 4.05Å; T104-F115 HydrophobicContact CG2-CG 4.08Å; T104-F115 VanDerWaalsContact OG1-CD1 3.31Å; T104-F115 WeakPolarHBondContact OG1-CD1 3.44Å; V107-F115 HydrophobicContact CB-CE1 4.41Å; V107-F115 HydrophobicContact CG2-CD1 3.77Å; V107-F115 HydrophobicContact CG2-CE1 3.76Å; P113-F115 HydrophobicContact CB-CE1 4.2Å; P113-F115 HydrophobicContact CB-CE2 4.1Å; P113-F115 HydrophobicContact CB-CZ 3.73Å; P113-F115 HydrophobicContact CG-CE2 3.85Å; P113-F115 HydrophobicContact CG-CZ 3.6Å; F115-E117 PolarHBondContact O-N 2.91Å; F115-L136 HydrophobicContact CE2-CD1 4.38Å; F115-L136 HydrophobicContact CZ-CD1 3.87Å
116	N	90.7	Very high	81.3	Confident	96 Å²	96	58.7 Å²	58.7	51%	0.513	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.2	37.4	-176.6	-162.4	34.8	0	0	0	114.5	Q66 I67 I68 V114	Q66-N116 PolarHBondContact NE2-OD1 2.94Å; I67-N116 VanDerWaalsContact O-CA 3.26Å; I67-N116 WeakPolarHBondContact O-CA 3.42Å; I67-N116 PolarHBondContact O-N 3.2Å; I68-N116 PolarHBondContact O-N 3.3Å; V114-N116 HydrophobicContact CG1-CB 4.35Å
117	E	89.7	Confident	80.4	Confident	38 Å²	38	60.1 Å²	60.1	18%	0.178	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	146.9	-178.4	-77.7	174.8	-110.3	0	0	111.7	Q66 I67 T104 K105 F115 F119	Q66-E117 CarbonylContact C-O 3.57Å; Q66-E117 WeakPolarHBondContact CA-O 3.26Å; I67-E117 PolarHBondContact N-O 3.08Å; I67-E117 PolarHBondContact O-N 2.76Å; I67-E117 VanDerWaalsContact O-N 3.09Å; T104-E117 WeakPolarHBondContact CA-OE2 3.36Å; T104-E117 WeakPolarHBondContact CB-OE1 3.36Å; T104-E117 HydrophobicContact CG2-CB 4.34Å; K105-E117 WeakPolarHBondContact CB-OE1 3.46Å; K105-E117 WeakPolarHBondContact CG-OE1 3.14Å; K105-E117 PolarHBondContact N-OE1 3.26Å; K105-E117 PolarHBondContact N-OE2 2.84Å; F115-E117 PolarHBondContact O-N 2.91Å; E117-F119 HydrophobicContact CB-CE2 4.27Å; E117-F119 HydrophobicContact CB-CZ 4.05Å
118	K	90.4	Very high	79.5	Confident	115 Å²	115	66.2 Å²	66.2	50%	0.5	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.7	-178.7	-71.3	176.6	171.2	-173.8	0	109.5	I65 Q66 F222	I65-K118 CarbonylContact O-C 3.51Å; I65-K118 WeakPolarHBondContact O-CA 3.5Å; Q66-K118 HydrophobicContact CB-CG 4.07Å; Q66-K118 HydrophobicContact CG-CG 3.76Å; Q66-K118 VanDerWaalsContact OE1-CE 3.29Å; K118-F222 HydrophobicContact CB-CZ 4.45Å; K118-F222 HydrophobicContact CD-CD2 4.33Å; K118-F222 HydrophobicContact CD-CE2 3.56Å; K118-F222 HydrophobicContact CD-CZ 4.12Å; K118-F222 HydrophobicContact CG-CE2 3.97Å; K118-F222 HydrophobicContact CG-CZ 4.04Å
119	F	88.2	Confident	79.2	Confident	20 Å²	20	67.3 Å²	67.3	9%	0.088	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	152.9	174.4	-58.2	-63.3	0	0	0	110.2	R64 I65 I67 A87 L102 T104 E117 F121	R64-F119 WeakPolarHBondContact CA-O 3.25Å; I65-F119 PolarHBondContact N-O 2.83Å; I65-F119 PolarHBondContact O-N 2.8Å; I67-F119 HydrophobicContact CD1-CD2 3.9Å; I67-F119 HydrophobicContact CD1-CE2 3.68Å; I67-F119 HydrophobicContact CG1-CD2 4.01Å; I67-F119 HydrophobicContact CG1-CE2 3.95Å; A87-F119 HydrophobicContact CB-CD2 4.48Å; L102-F119 HydrophobicContact CB-CD1 3.67Å; L102-F119 HydrophobicContact CB-CE1 4.03Å; L102-F119 HydrophobicContact CB-CG 4.16Å; L102-F119 HydrophobicContact CD1-CB 3.94Å; L102-F119 HydrophobicContact CD1-CD1 3.87Å; L102-F119 HydrophobicContact CD1-CG 4.23Å; L102-F119 HydrophobicContact CG-CD1 4.32Å; T104-F119 HydrophobicContact CG2-CE2 3.81Å; T104-F119 HydrophobicContact CG2-CZ 3.84Å; E117-F119 HydrophobicContact CB-CE2 4.27Å; E117-F119 HydrophobicContact CB-CZ 4.05Å; F119-F121 HydrophobicContact CB-CE2 4.35Å
120	S	84.6	Confident	79.8	Confident	72 Å²	72	63.3 Å²	63.3	50%	0.503	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	136	172.6	-66.7	0	0	0	0	109.2	I63	I63-S120 CarbonylContact O-C 3.48Å; I63-S120 WeakPolarHBondContact O-CA 3.33Å
121	F	83.6	Confident	80.5	Confident	7 Å²	7	61.4 Å²	61.4	3%	0.031	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.8	177.5	-60.5	-82.9	0	0	0	109.3	C62 I63 I65 A87 I89 Y100 L102 F119 L132	C62-F121 CarbonylContact C-O 3.53Å; C62-F121 VanDerWaalsContact CA-O 3.25Å; C62-F121 WeakPolarHBondContact CA-O 3.45Å; I63-F121 PolarHBondContact N-O 2.88Å; I63-F121 PolarHBondContact O-N 2.87Å; I65-F121 HydrophobicContact CD1-CD2 4.11Å; I65-F121 HydrophobicContact CD1-CE2 3.68Å; A87-F121 HydrophobicContact CB-CE2 4.14Å; A87-F121 HydrophobicContact CB-CZ 4.08Å; I89-F121 HydrophobicContact CD1-CB 3.48Å; I89-F121 VanDerWaalsContact CD1-CB 3.48Å; I89-F121 HydrophobicContact CD1-CD1 3.57Å; I89-F121 HydrophobicContact CD1-CD2 3.73Å; I89-F121 HydrophobicContact CD1-CE1 4.12Å; I89-F121 HydrophobicContact CD1-CE2 4.27Å; I89-F121 HydrophobicContact CD1-CG 3.33Å; I89-F121 HydrophobicContact CD1-CZ 4.44Å; Y100-F121 HydrophobicContact CG-CD1 4.23Å; L102-F121 HydrophobicContact CB-CE1 4.25Å; L102-F121 HydrophobicContact CB-CZ 3.99Å; L102-F121 HydrophobicContact CD1-CD1 4.05Å; L102-F121 HydrophobicContact CD1-CE1 3.51Å; L102-F121 HydrophobicContact CD1-CE2 4.29Å; L102-F121 HydrophobicContact CD1-CZ 3.66Å; L102-F121 HydrophobicContact CG-CE1 3.67Å; L102-F121 HydrophobicContact CG-CZ 3.89Å; F119-F121 HydrophobicContact CB-CE2 4.35Å; F121-L132 HydrophobicContact CE2-CD1 4.43Å
122	E	79.1	Confident	81	Confident	131 Å²	131	57 Å²	57	61%	0.612	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	135.6	176.4	-64.5	179.9	177.9	0	0	110.4	N61 I126	N61-E122 CarbonylContact O-C 3.58Å; N61-E122 WeakPolarHBondContact O-CA 3.46Å; E122-I126 WeakPolarHBondContact O-CD1 3.31Å
123	I	71.7	Confident	81.4	Confident	9 Å²	9	55.1 Å²	55.1	5%	0.046	29%	0.286	C	S	.	.	S	Bend	trans	-95.5	-5.4	-172.1	-39	172.3	0	0	0	112.4	I58 T59 N61 I63 H125 I126	I58-I123 HydrophobicContact CG2-CD1 4.1Å; T59-I123 VanDerWaalsContact O-CD1 3.25Å; T59-I123 WeakPolarHBondContact O-CD1 3.35Å; N61-I123 PolarHBondContact O-N 3.45Å; I63-I123 HydrophobicContact CD1-CD1 4.41Å; I63-I123 HydrophobicContact CD1-CG1 4.36Å; I63-I123 HydrophobicContact CG1-CD1 3.66Å; I63-I123 HydrophobicContact CG1-CG1 3.86Å; I123-H125 PolarHBondContact O-N 3.19Å; I123-I126 HydrophobicContact CB-CD1 4.34Å; I123-I126 HydrophobicContact CG1-CD1 4.44Å; I123-I126 HydrophobicContact CG2-CB 3.87Å; I123-I126 HydrophobicContact CG2-CD1 4.11Å; I123-I126 HydrophobicContact CG2-CG1 4.35Å; I123-I126 HydrophobicContact CG2-CG2 4.44Å; I123-I126 PolarHBondContact O-N 2.98Å; I123-I126 VanDerWaalsContact O-N 3.15Å
124	S	65.7	Low	81.7	Confident	77 Å²	77	55.2 Å²	55.2	54%	0.538	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-29	177.3	42.9	0	0	0	0	114.3
125	H	62.1	Low	81.8	Confident	136 Å²	136	51.8 Å²	51.8	63%	0.63	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.8	8.3	-176.9	-52.7	-65.2	0	0	0	114	I123	I123-H125 PolarHBondContact O-N 3.19Å
126	I	63.9	Low	81.8	Confident	17 Å²	17	51 Å²	51	9%	0.087	26%	0.262	C	S	.	.			trans	-93.7	130.9	-177.1	-60.3	179.4	0	0	0	109.9	I63 I89 Y100 E122 I123 D130 I158	I63-I126 HydrophobicContact CD1-CD1 4.38Å; I89-I126 HydrophobicContact CD1-CD1 3.69Å; I89-I126 HydrophobicContact CG1-CD1 4.43Å; I89-I126 HydrophobicContact CG2-CD1 4.16Å; I89-I126 HydrophobicContact CG2-CG1 4.27Å; I89-I126 HydrophobicContact CG2-CG2 4.03Å; Y100-I126 HydrophobicContact CD2-CG1 4.47Å; Y100-I126 HydrophobicContact CE2-CG1 4.17Å; E122-I126 WeakPolarHBondContact O-CD1 3.31Å; I123-I126 HydrophobicContact CB-CD1 4.34Å; I123-I126 HydrophobicContact CG1-CD1 4.44Å; I123-I126 HydrophobicContact CG2-CB 3.87Å; I123-I126 HydrophobicContact CG2-CD1 4.11Å; I123-I126 HydrophobicContact CG2-CG1 4.35Å; I123-I126 HydrophobicContact CG2-CG2 4.44Å; I123-I126 PolarHBondContact O-N 2.98Å; I123-I126 VanDerWaalsContact O-N 3.15Å; I126-D130 HydrophobicContact CG2-CB 3.82Å; I126-I158 HydrophobicContact CG2-CD1 3.69Å; I126-I158 HydrophobicContact CG2-CG2 4.25Å
127	S	68.7	Low	81.7	Confident	72 Å²	72	48.2 Å²	48.2	50%	0.503	24%	0.244	S	C	.	.			trans	-75.4	144.2	176.5	-65.2	0	0	0	0	111.3	N129 D130	S127-N129 PolarHBondContact O-N 2.76Å; S127-D130 WeakPolarHBondContact CB-OD2 3.33Å; S127-D130 PolarHBondContact N-OD2 2.84Å; S127-D130 VanDerWaalsContact O-CB 3.27Å; S127-D130 WeakPolarHBondContact O-CB 3.46Å; S127-D130 PolarHBondContact O-N 2.89Å
128	Y	68	Low	81.7	Confident	159 Å²	159	46.5 Å²	46.5	62%	0.624	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-23.2	179.2	-71.7	-83.1	0	0	0	114.3	R159	Y128-R159 WeakPolarHBondContact O-CB 3.28Å
129	N	75.4	Confident	81.4	Confident	107 Å²	107	41.4 Å²	41.4	57%	0.572	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	2.3	178.7	-65.6	-23.6	0	0	0	113.7	S127	S127-N129 PolarHBondContact O-N 2.76Å
130	D	84.4	Confident	80.8	Confident	7 Å²	7	42.9 Å²	42.9	4%	0.037	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	159.8	177.5	-63.6	-18.1	0	0	0	111.7	I89 P91 I126 S127 I158	I89-D130 HydrophobicContact CG2-CB 4.17Å; P91-D130 VanDerWaalsContact CA-OD1 3.26Å; P91-D130 WeakPolarHBondContact CA-OD1 3.47Å; I126-D130 HydrophobicContact CG2-CB 3.82Å; S127-D130 WeakPolarHBondContact CB-OD2 3.33Å; S127-D130 PolarHBondContact N-OD2 2.84Å; S127-D130 VanDerWaalsContact O-CB 3.27Å; S127-D130 WeakPolarHBondContact O-CB 3.46Å; S127-D130 PolarHBondContact O-N 2.89Å; D130-I158 HydrophobicContact CB-CD1 4.14Å; D130-I158 WeakPolarHBondContact O-CB 3Å; D130-I158 WeakPolarHBondContact O-CG1 3.39Å; D130-I158 PolarHBondContact O-N 3.08Å; D130-I158 VanDerWaalsContact O-N 3.15Å
131	R	89.2	Confident	79.9	Confident	5 Å²	5	43.7 Å²	43.7	2%	0.019	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	140.8	179.6	-56.2	-178.8	70.6	85.8	-1.3	109.8	I89 A90 K92 Y133 S155 F156 Y237 C238 D543	I89-R131 WeakPolarHBondContact CA-O 3.48Å; A90-R131 PolarHBondContact N-O 3.14Å; A90-R131 PolarHBondContact O-N 3.03Å; K92-R131 HydrophobicContact CB-CG 4.23Å; R131-Y133 HydrophobicContact CB-CD2 4.27Å; R131-Y133 HydrophobicContact CB-CE1 4.3Å; R131-Y133 HydrophobicContact CB-CE2 3.68Å; R131-Y133 VanDerWaalsContact O-CD2 3.25Å; R131-Y133 WeakPolarHBondContact O-CD2 3.35Å; R131-Y133 WeakPolarHBondContact O-CE2 3.26Å; R131-S155 PolarHBondContact NE-OG 3.31Å; R131-S155 PolarHBondContact NH2-OG 2.93Å; R131-F156 WeakPolarHBondContact CA-O 3.22Å; R131-Y237 PolarHBondContact NE-O 2.83Å; R131-C238 PolarHBondContact NH2-O 3.32Å; R131-D543 IonicContact CZ-OD2 3.69Å; R131-D543 IonicContact NH1-OD2 3.71Å; R131-D543 PolarHBondContact NH1-OD2 2.81Å
132	L	90.8	Very high	78.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	115.2	163.7	167.3	61.9	0	0	0	107.8	L56 I63 I65 R88 I89 F121 I134 S155 F156 I158	L56-L132 HydrophobicContact CD1-CD2 3.63Å; I63-L132 HydrophobicContact CG2-CD2 4.15Å; I65-L132 HydrophobicContact CD1-CD1 3.49Å; I65-L132 VanDerWaalsContact CD1-CD1 3.49Å; I65-L132 HydrophobicContact CD1-CD2 3.58Å; I65-L132 HydrophobicContact CD1-CG 4.13Å; I65-L132 HydrophobicContact CG1-CD2 4.22Å; R88-L132 CarbonylContact O-C 3.56Å; I89-L132 HydrophobicContact CG1-CD1 4.33Å; F121-L132 HydrophobicContact CE2-CD1 4.43Å; L132-I134 HydrophobicContact CD1-CG1 4.21Å; L132-I134 HydrophobicContact CD2-CD1 4.34Å; L132-I134 HydrophobicContact CG-CD1 4.42Å; L132-I134 HydrophobicContact CG-CG1 4.25Å; L132-S155 CarbonylContact O-C 3.54Å; L132-S155 WeakPolarHBondContact O-CA 3.29Å; L132-S155 WeakPolarHBondContact O-CB 3.47Å; L132-F156 HydrophobicContact CD2-CD2 4.32Å; L132-F156 HydrophobicContact CG-CD2 4.48Å; L132-F156 PolarHBondContact N-O 2.82Å; L132-F156 PolarHBondContact O-N 3.03Å; L132-I158 HydrophobicContact CB-CD1 4.46Å; L132-I158 HydrophobicContact CB-CG1 4.4Å
133	Y	91.6	Very high	77.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	140.6	172.6	-57.1	-89.3	0	0	0	109.7	A87 R88 A90 P91 P95 R131 Y237	A87-Y133 WeakPolarHBondContact CA-O 3.49Å; R88-Y133 PolarHBondContact N-O 2.93Å; R88-Y133 PolarHBondContact O-N 3.07Å; A90-Y133 HydrophobicContact CB-CD2 4.25Å; A90-Y133 HydrophobicContact CB-CE2 3.81Å; A90-Y133 WeakPolarHBondContact O-CE2 3.45Å; P91-Y133 PolarHBondContact O-OH 2.83Å; P95-Y133 HydrophobicContact CB-CE1 4Å; P95-Y133 HydrophobicContact CB-CE2 4.37Å; R131-Y133 HydrophobicContact CB-CD2 4.27Å; R131-Y133 HydrophobicContact CB-CE1 4.3Å; R131-Y133 HydrophobicContact CB-CE2 3.68Å; R131-Y133 VanDerWaalsContact O-CD2 3.25Å; R131-Y133 WeakPolarHBondContact O-CD2 3.35Å; R131-Y133 WeakPolarHBondContact O-CE2 3.26Å; Y133-Y237 AromaticContact CD1-CD1 3.76Å; Y133-Y237 HydrophobicContact CD1-CD1 3.76Å; Y133-Y237 AromaticContact CE1-CD1 3.81Å; Y133-Y237 HydrophobicContact CE1-CD1 3.81Å; Y133-Y237 HydrophobicContact CE1-CG 4.25Å; Y133-Y237 WeakPolarHBondContact CE1-O 3.39Å
134	I	93.7	Very high	77.2	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	118	174.6	-60.2	178	0	0	0	108	L52 L54 I65 I67 V85 E86 A87 L132 G153 M154 F156	L52-I134 HydrophobicContact CD2-CG2 3.76Å; L54-I134 HydrophobicContact CD1-CD1 3.62Å; L54-I134 HydrophobicContact CD1-CG2 4.48Å; L54-I134 HydrophobicContact CD2-CD1 4.31Å; L54-I134 HydrophobicContact CD2-CG2 4.46Å; I65-I134 HydrophobicContact CD1-CD1 4.36Å; I65-I134 HydrophobicContact CG2-CD1 4.04Å; I67-I134 HydrophobicContact CD1-CG2 4.23Å; V85-I134 HydrophobicContact CG1-CG2 3.54Å; E86-I134 CarbonylContact O-C 3.5Å; E86-I134 WeakPolarHBondContact O-CA 3.38Å; A87-I134 HydrophobicContact CB-CG1 4.41Å; L132-I134 HydrophobicContact CD1-CG1 4.21Å; L132-I134 HydrophobicContact CD2-CD1 4.34Å; L132-I134 HydrophobicContact CG-CD1 4.42Å; L132-I134 HydrophobicContact CG-CG1 4.25Å; I134-G153 CarbonylContact O-C 3.48Å; I134-G153 WeakPolarHBondContact O-CA 3.34Å; I134-M154 HydrophobicContact CB-CG 4.17Å; I134-M154 PolarHBondContact N-O 3.22Å; I134-M154 PolarHBondContact O-N 3.17Å; I134-F156 HydrophobicContact CD1-CE2 4.14Å
135	E	93.4	Very high	77	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.009	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	124	-162.6	-62.7	-178.4	-123.5	0	0	110.6	V85 E86 R88 Y137 F150	V85-E135 CarbonylContact C-O 3.31Å; V85-E135 WeakPolarHBondContact CA-O 3.4Å; E86-E135 PolarHBondContact N-O 2.84Å; E86-E135 PolarHBondContact O-N 2.92Å; R88-E135 IonicContact CZ-OE1 3.84Å; R88-E135 IonicContact NE-OE1 2.78Å; R88-E135 IonicContact NH2-OE1 3.52Å; R88-E135 PolarHBondContact NH2-OE1 2.8Å; R88-E135 IonicContact NH2-OE2 2.73Å; E135-Y137 HydrophobicContact CB-CD2 4.48Å; E135-Y137 HydrophobicContact CB-CE2 3.76Å; E135-F150 HydrophobicContact CB-CE2 4.03Å; E135-F150 HydrophobicContact CG-CE2 4.06Å; E135-F150 WeakPolarHBondContact OE2-CE2 3.46Å
136	L	92.7	Very high	77	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	133.2	178.5	178.7	73.7	0	0	0	110	L73 M83 V85 F115 L151 G152 L230	L73-L136 HydrophobicContact CD1-CD2 3.82Å; L73-L136 HydrophobicContact CD2-CD2 3.43Å; L73-L136 VanDerWaalsContact CD2-CD2 3.43Å; L73-L136 HydrophobicContact CG-CD2 4.3Å; M83-L136 HydrophobicContact CB-CD1 4.41Å; V85-L136 HydrophobicContact CG2-CB 4.35Å; V85-L136 HydrophobicContact CG2-CD1 3.51Å; F115-L136 HydrophobicContact CE2-CD1 4.38Å; F115-L136 HydrophobicContact CZ-CD1 3.87Å; L136-L151 HydrophobicContact CB-CB 4.35Å; L136-L151 HydrophobicContact CD2-CB 3.86Å; L136-L151 HydrophobicContact CD2-CD1 3.91Å; L136-L151 HydrophobicContact CG-CB 3.96Å; L136-L151 HydrophobicContact CG-CD1 4.19Å; L136-L151 WeakPolarHBondContact O-CA 3.46Å; L136-L151 PolarHBondContact O-N 3.13Å; L136-G152 PolarHBondContact N-O 3.46Å; L136-G152 PolarHBondContact O-N 3.27Å; L136-L230 HydrophobicContact CB-CD2 4.2Å; L136-L230 HydrophobicContact CD2-CD1 3.68Å
137	Y	89.9	Confident	77	Confident	37 Å²	37	61.5 Å²	61.5	15%	0.145	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	157.1	179.2	-70.4	-89.9	0	0	0	112.3	M83 F84 E86 E135 A148 I149 F150	M83-Y137 VanDerWaalsContact CA-O 3.25Å; M83-Y137 WeakPolarHBondContact CA-O 3.27Å; F84-Y137 HydrophobicContact CD2-CD2 4.46Å; F84-Y137 AromaticContact CE2-CD2 3.81Å; F84-Y137 HydrophobicContact CE2-CD2 3.81Å; F84-Y137 HydrophobicContact CE2-CG 4.06Å; F84-Y137 HydrophobicContact CZ-CD2 4.18Å; F84-Y137 AromaticContact CZ-CG 3.97Å; F84-Y137 HydrophobicContact CZ-CG 3.97Å; F84-Y137 PolarHBondContact N-O 3.44Å; F84-Y137 PolarHBondContact O-N 3.45Å; E86-Y137 HydrophobicContact CB-CD2 4.4Å; E86-Y137 HydrophobicContact CB-CE2 4.16Å; E135-Y137 HydrophobicContact CB-CD2 4.48Å; E135-Y137 HydrophobicContact CB-CE2 3.76Å; Y137-A148 HydrophobicContact CD1-CB 4.06Å; Y137-A148 HydrophobicContact CG-CB 4.45Å; Y137-I149 CarbonylContact C-O 3.43Å; Y137-I149 WeakPolarHBondContact CA-O 3.06Å; Y137-F150 HydrophobicContact CD1-CB 4.28Å; Y137-F150 HydrophobicContact CE1-CB 4.04Å; Y137-F150 HydrophobicContact CE1-CD2 4.14Å
138	L	88	Confident	77.5	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	108.4	174.3	-178.9	79	0	0	0	109.1	V75 P76 Y81 T82 M83 I149 L151	V75-L138 HydrophobicContact CG1-CD1 3.92Å; V75-L138 HydrophobicContact CG1-CD2 4.42Å; P76-L138 VanDerWaalsContact CD-CD2 3.41Å; P76-L138 HydrophobicContact CG-CD2 3.88Å; Y81-L138 HydrophobicContact CD1-CD1 4.21Å; Y81-L138 HydrophobicContact CD1-CD2 3.84Å; Y81-L138 HydrophobicContact CD1-CG 3.78Å; Y81-L138 HydrophobicContact CE1-CD2 4.21Å; Y81-L138 HydrophobicContact CG-CD1 4.04Å; Y81-L138 HydrophobicContact CG-CD2 4.22Å; Y81-L138 HydrophobicContact CG-CG 4.13Å; T82-L138 CarbonylContact O-C 3.59Å; M83-L138 HydrophobicContact CE-CD1 4.08Å; M83-L138 HydrophobicContact CG-CB 4.44Å; M83-L138 HydrophobicContact CG-CD1 3.6Å; M83-L138 HydrophobicContact SD-CD1 3.99Å; L138-I149 HydrophobicContact CB-CB 4.37Å; L138-I149 PolarHBondContact N-O 2.99Å; L138-I149 PolarHBondContact O-N 3.21Å; L138-L151 HydrophobicContact CB-CD1 3.83Å; L138-L151 HydrophobicContact CB-CD2 4.12Å; L138-L151 HydrophobicContact CB-CG 3.74Å; L138-L151 HydrophobicContact CD1-CD1 4.41Å; L138-L151 HydrophobicContact CD2-CD2 4.37Å
139	N	84.1	Confident	78.2	Confident	9 Å²	9	56 Å²	56	5%	0.048	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	121.9	177.7	-171.2	75.3	0	0	0	111	T82 F84 F143 Y145 A148	T82-N139 PolarHBondContact N-O 3.18Å; T82-N139 PolarHBondContact O-N 3.04Å; T82-N139 PolarHBondContact OG1-O 3.34Å; F84-N139 HydrophobicContact CE1-CB 4.14Å; N139-F143 PolarHBondContact ND2-O 2.95Å; N139-F143 VanDerWaalsContact ND2-O 3.12Å; N139-Y145 WeakPolarHBondContact OD1-CA 3.41Å; N139-A148 HydrophobicContact CB-CB 4.14Å
140	Q	75.9	Confident	78.8	Confident	51 Å²	51	52.4 Å²	52.4	24%	0.238	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	127.4	174.7	-162.6	173.7	28.9	0	0	109.8	Y81 K142 F143	Y81-Q140 HydrophobicContact CD1-CB 3.61Å; Y81-Q140 HydrophobicContact CD1-CG 3.82Å; Y81-Q140 HydrophobicContact CE1-CB 3.57Å; Y81-Q140 HydrophobicContact CE1-CG 3.6Å; Y81-Q140 PolarHBondContact OH-NE2 2.85Å; Q140-K142 PolarHBondContact O-N 3.28Å; Q140-F143 HydrophobicContact CB-CD2 4.39Å; Q140-F143 PolarHBondContact O-N 3Å
141	S	65.1	Low	78.9	Confident	89 Å²	89	52.6 Å²	52.6	62%	0.622	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-12.3	-170.5	-170.2	0	0	0	0	115.2	G80	G80-S141 WeakPolarHBondContact O-CB 3.45Å; G80-S141 PolarHBondContact O-N 2.85Å
142	K	61.3	Low	78.9	Confident	176 Å²	176	52.4 Å²	52.4	77%	0.765	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-16.5	177.5	-61.2	-179.4	-177.1	176	0	113.3	Q140	Q140-K142 PolarHBondContact O-N 3.28Å
143	F	59.1	Low	78.9	Confident	109 Å²	109	52.4 Å²	52.4	48%	0.478	27%	0.265	S	S	.	.	S	Bend	trans	-120.7	137.8	178.7	-59.2	-79.2	0	0	0	109.5	N139 Q140 N147	N139-F143 PolarHBondContact ND2-O 2.95Å; N139-F143 VanDerWaalsContact ND2-O 3.12Å; Q140-F143 HydrophobicContact CB-CD2 4.39Å; Q140-F143 PolarHBondContact O-N 3Å; F143-N147 HydrophobicContact CB-CB 3.92Å
144	G	58.9	Low	78.9	Confident	53 Å²	53	52.4 Å²	52.4	55%	0.546	27%	0.265	S	S	.	.			trans	-64	161.6	179.1	0	0	0	0	0	112.2	K146 N147	G144-K146 PolarHBondContact O-N 2.94Å; G144-N147 PolarHBondContact O-N 2.92Å
145	Y	61.8	Low	78.8	Confident	121 Å²	121	52.3 Å²	52.3	48%	0.475	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-47.5	-17.4	-174.5	-65.9	-79.7	0	0	0	116.9	F84 N139 N147 A148	F84-Y145 HydrophobicContact CE1-CD1 4.05Å; F84-Y145 HydrophobicContact CE1-CE1 4.41Å; F84-Y145 HydrophobicContact CZ-CD1 4.48Å; N139-Y145 WeakPolarHBondContact OD1-CA 3.41Å; Y145-N147 PolarHBondContact O-N 2.73Å; Y145-A148 WeakPolarHBondContact O-CB 3.36Å; Y145-A148 PolarHBondContact O-N 3.03Å
146	K	61.4	Low	78.6	Confident	208 Å²	208	52.3 Å²	52.3	90%	0.904	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-58.3	-28.4	171.5	-65.6	-175	177.2	-177.6	0	113.1	G144	G144-K146 PolarHBondContact O-N 2.94Å
147	N	63.4	Low	78.4	Confident	84 Å²	84	53.6 Å²	53.6	45%	0.449	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-100.5	22.5	-175.2	-64.4	32.2	0	0	0	112.5	F143 G144 Y145 I149	F143-N147 HydrophobicContact CB-CB 3.92Å; G144-N147 PolarHBondContact O-N 2.92Å; Y145-N147 PolarHBondContact O-N 2.73Å; N147-I149 PolarHBondContact O-N 3.02Å
148	A	79.5	Confident	78.1	Confident	23 Å²	23	52 Å²	52	19%	0.19	27%	0.265	C	S	.	.			trans	-70.9	120.3	-178.8	0	0	0	0	0	112.1	F84 Y137 N139 Y145	F84-A148 HydrophobicContact CE1-CB 4.12Å; F84-A148 HydrophobicContact CZ-CB 4.06Å; Y137-A148 HydrophobicContact CD1-CB 4.06Å; Y137-A148 HydrophobicContact CG-CB 4.45Å; N139-A148 HydrophobicContact CB-CB 4.14Å; Y145-A148 WeakPolarHBondContact O-CB 3.36Å; Y145-A148 PolarHBondContact O-N 3.03Å
149	I	82.8	Confident	77.9	Confident	93 Å²	93	59 Å²	59	48%	0.477	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	123.7	-177.4	-56.7	172.8	0	0	0	109.6	Y137 L138 N147 L151	Y137-I149 CarbonylContact C-O 3.43Å; Y137-I149 WeakPolarHBondContact CA-O 3.06Å; L138-I149 HydrophobicContact CB-CB 4.37Å; L138-I149 PolarHBondContact N-O 2.99Å; L138-I149 PolarHBondContact O-N 3.21Å; N147-I149 PolarHBondContact O-N 3.02Å; I149-L151 PolarHBondContact O-N 3.15Å
150	F	87.7	Confident	77.8	Confident	30 Å²	30	61 Å²	61	13%	0.132	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	112.5	177.7	174.9	-92.7	0	0	0	112	E135 Y137 Q233 C236	E135-F150 HydrophobicContact CB-CE2 4.03Å; E135-F150 HydrophobicContact CG-CE2 4.06Å; E135-F150 WeakPolarHBondContact OE2-CE2 3.46Å; Y137-F150 HydrophobicContact CD1-CB 4.28Å; Y137-F150 HydrophobicContact CE1-CB 4.04Å; Y137-F150 HydrophobicContact CE1-CD2 4.14Å; F150-Q233 HydrophobicContact CD1-CB 4.05Å; F150-Q233 HydrophobicContact CD1-CG 4.24Å; F150-Q233 HydrophobicContact CE1-CB 3.7Å; F150-Q233 HydrophobicContact CE1-CG 4.07Å; F150-Q233 HydrophobicContact CZ-CB 4.24Å; F150-Q233 HydrophobicContact CZ-CG 4.27Å; F150-C236 HydrophobicContact CZ-CB 4.44Å; F150-C236 VanDerWaalsContact CZ-SG 3.52Å
151	L	85.9	Confident	78	Confident	12 Å²	12	59.2 Å²	59.2	6%	0.063	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-5	177	-71.9	-172.8	0	0	0	114.1	Q49 M83 L136 L138 I149	Q49-L151 WeakPolarHBondContact CB-O 3.29Å; Q49-L151 WeakPolarHBondContact CG-O 3.5Å; Q49-L151 PolarHBondContact NE2-O 3.02Å; M83-L151 HydrophobicContact CG-CD1 3.95Å; M83-L151 HydrophobicContact SD-CD1 4.07Å; L136-L151 HydrophobicContact CB-CB 4.35Å; L136-L151 HydrophobicContact CD2-CB 3.86Å; L136-L151 HydrophobicContact CD2-CD1 3.91Å; L136-L151 HydrophobicContact CG-CB 3.96Å; L136-L151 HydrophobicContact CG-CD1 4.19Å; L136-L151 WeakPolarHBondContact O-CA 3.46Å; L136-L151 PolarHBondContact O-N 3.13Å; L138-L151 HydrophobicContact CB-CD1 3.83Å; L138-L151 HydrophobicContact CB-CD2 4.12Å; L138-L151 HydrophobicContact CB-CG 3.74Å; L138-L151 HydrophobicContact CD1-CD1 4.41Å; L138-L151 HydrophobicContact CD2-CD2 4.37Å; I149-L151 PolarHBondContact O-N 3.15Å
152	G	89.4	Confident	78.6	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	127	164.7	177.4	0	0	0	0	0	113.5	L136 L231	L136-G152 PolarHBondContact N-O 3.46Å; L136-G152 PolarHBondContact O-N 3.27Å; G152-L231 CarbonylContact C-O 3.53Å; G152-L231 WeakPolarHBondContact CA-O 3.49Å
153	G	91.1	Very high	79.4	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	-165	-177.8	0	0	0	0	0	114.1	I134 L231 C236	I134-G153 CarbonylContact O-C 3.48Å; I134-G153 WeakPolarHBondContact O-CA 3.34Å; G153-L231 PolarHBondContact N-O 2.78Å; G153-L231 WeakPolarHBondContact O-CB 3.41Å; G153-L231 PolarHBondContact O-N 3.05Å; G153-C236 VanDerWaalsContact O-CB 3.26Å; G153-C236 WeakPolarHBondContact O-CB 2.91Å
154	M	91.8	Very high	79.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	168	176.8	62.4	-160.2	74.9	0	0	111	L52 L54 I134 F156 Y228 L230 C236 H240	L52-M154 HydrophobicContact CB-CE 4.06Å; L52-M154 HydrophobicContact CD2-CE 4.19Å; L54-M154 HydrophobicContact CD1-CE 4.44Å; L54-M154 HydrophobicContact CD1-SD 3.56Å; L54-M154 VanDerWaalsContact CD1-SD 3.56Å; I134-M154 HydrophobicContact CB-CG 4.17Å; I134-M154 PolarHBondContact N-O 3.22Å; I134-M154 PolarHBondContact O-N 3.17Å; M154-F156 HydrophobicContact CG-CE2 3.83Å; M154-F156 HydrophobicContact CG-CZ 4.34Å; M154-F156 HydrophobicContact SD-CE2 4Å; M154-F156 HydrophobicContact SD-CZ 4.03Å; M154-Y228 WeakPolarHBondContact SD-CB 3.4Å; M154-Y228 HydrophobicContact SD-CD1 4.44Å; M154-Y228 HydrophobicContact SD-CD2 4.27Å; M154-Y228 HydrophobicContact SD-CG 3.81Å; M154-L230 HydrophobicContact CE-CD2 3.94Å; M154-C236 CarbonylContact C-O 3.56Å; M154-C236 VanDerWaalsContact C-O 3.31Å; M154-H240 HydrophobicContact CB-CB 3.91Å
155	S	91.6	Very high	80.4	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	149.1	171.1	61.9	0	0	0	0	114.5	R131 L132 C236 Y237 R239 H240	R131-S155 PolarHBondContact NE-OG 3.31Å; R131-S155 PolarHBondContact NH2-OG 2.93Å; L132-S155 CarbonylContact O-C 3.54Å; L132-S155 WeakPolarHBondContact O-CA 3.29Å; L132-S155 WeakPolarHBondContact O-CB 3.47Å; S155-C236 WeakPolarHBondContact CB-O 3.41Å; S155-C236 PolarHBondContact N-O 2.92Å; S155-C236 PolarHBondContact OG-O 3.17Å; S155-Y237 PolarHBondContact OG-O 3.18Å; S155-R239 PolarHBondContact N-O 2.96Å; S155-R239 CarbonylContact O-C 3.57Å; S155-R239 PolarHBondContact OG-N 2.83Å; S155-H240 PolarHBondContact O-N 3.38Å; S155-H240 PolarHBondContact O-ND1 2.95Å
156	F	89.9	Confident	80.8	Confident	1 Å²	1	46.2 Å²	46.2	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.6	178.4	-54	-97	0	0	0	110.1	L54 L56 R131 L132 I134 M154 L161 P213 Y228 H240	L54-F156 HydrophobicContact CD1-CE2 4.29Å; L54-F156 HydrophobicContact CD1-CZ 4.36Å; L56-F156 HydrophobicContact CD2-CD1 4.21Å; L56-F156 HydrophobicContact CD2-CE1 4.5Å; L56-F156 HydrophobicContact CD2-CG 4.31Å; R131-F156 WeakPolarHBondContact CA-O 3.22Å; L132-F156 HydrophobicContact CD2-CD2 4.32Å; L132-F156 HydrophobicContact CG-CD2 4.48Å; L132-F156 PolarHBondContact N-O 2.82Å; L132-F156 PolarHBondContact O-N 3.03Å; I134-F156 HydrophobicContact CD1-CE2 4.14Å; M154-F156 HydrophobicContact CG-CE2 3.83Å; M154-F156 HydrophobicContact CG-CZ 4.34Å; M154-F156 HydrophobicContact SD-CE2 4Å; M154-F156 HydrophobicContact SD-CZ 4.03Å; F156-L161 HydrophobicContact CB-CD1 3.48Å; F156-L161 VanDerWaalsContact CB-CD1 3.48Å; F156-L161 HydrophobicContact CB-CD2 4.37Å; F156-L161 HydrophobicContact CB-CG 4.11Å; F156-L161 HydrophobicContact CG-CD1 4.48Å; F156-P213 HydrophobicContact CD1-CG 4.45Å; F156-P213 HydrophobicContact CE1-CG 4.19Å; F156-Y228 HydrophobicContact CE1-CD1 4.32Å; F156-Y228 AromaticContact CE1-CE1 3.78Å; F156-Y228 HydrophobicContact CE1-CE1 3.78Å; F156-Y228 HydrophobicContact CZ-CD1 4.09Å; F156-Y228 AromaticContact CZ-CE1 3.89Å; F156-Y228 HydrophobicContact CZ-CE1 3.89Å; F156-Y228 HydrophobicContact CZ-CE2 4.3Å; F156-Y228 HydrophobicContact CZ-CG 4.41Å; F156-H240 HydrophobicContact CD1-CB 4.29Å; F156-H240 AromaticContact CD1-CD2 3.85Å; F156-H240 AromaticContact CD1-CE1 3.46Å; F156-H240 VanDerWaalsContact CD1-CE1 3.46Å; F156-H240 WeakPolarHBondContact CD1-CE1 3.36Å; F156-H240 AromaticContact CD1-CG 3.61Å; F156-H240 AromaticContact CD1-ND1 3.35Å; F156-H240 WeakPolarHBondContact CD1-ND1 3.23Å; F156-H240 AromaticContact CD1-NE2 3.76Å; F156-H240 HydrophobicContact CE1-CB 3.91Å; F156-H240 AromaticContact CE1-CD2 3.54Å; F156-H240 AromaticContact CE1-CE1 3.98Å; F156-H240 AromaticContact CE1-CG 3.47Å; F156-H240 VanDerWaalsContact CE1-CG 3.47Å; F156-H240 AromaticContact CE1-ND1 3.76Å; F156-H240 AromaticContact CE1-NE2 3.85Å; F156-H240 HydrophobicContact CE2-CB 4.47Å; F156-H240 AromaticContact CG-ND1 3.88Å; F156-H240 HydrophobicContact CZ-CB 4Å
157	N	86.9	Confident	81	Confident	28 Å²	28	40.4 Å²	40.4	15%	0.15	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	119.1	-179.7	178.1	-43.8	0	0	0	109.9	R159 R160 L161 D543	N157-R159 PolarHBondContact O-N 3.44Å; N157-R159 PolarHBondContact OD1-N 2.73Å; N157-R160 HydrophobicContact CB-CB 4.22Å; N157-R160 PolarHBondContact O-N 3.29Å; N157-R160 PolarHBondContact OD1-N 3.28Å; N157-L161 WeakPolarHBondContact O-CB 3.44Å; N157-L161 VanDerWaalsContact O-CG 3.31Å; N157-L161 WeakPolarHBondContact O-CG 3.2Å; N157-L161 PolarHBondContact O-N 3.09Å; N157-D543 PolarHBondContact ND2-OD2 2.59Å
158	I	85.3	Confident	81	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-69.4	-32.6	-167.9	-63.9	176.4	0	0	0	112.1	I63 I89 I126 D130 L132 L161 K162	I63-I158 HydrophobicContact CD1-CD1 3.93Å; I63-I158 HydrophobicContact CD1-CG1 4.13Å; I63-I158 HydrophobicContact CD1-CG2 4.09Å; I89-I158 HydrophobicContact CG1-CD1 4.17Å; I89-I158 HydrophobicContact CG2-CD1 3.99Å; I126-I158 HydrophobicContact CG2-CD1 3.69Å; I126-I158 HydrophobicContact CG2-CG2 4.25Å; D130-I158 HydrophobicContact CB-CD1 4.14Å; D130-I158 WeakPolarHBondContact O-CB 3Å; D130-I158 WeakPolarHBondContact O-CG1 3.39Å; D130-I158 PolarHBondContact O-N 3.08Å; D130-I158 VanDerWaalsContact O-N 3.15Å; L132-I158 HydrophobicContact CB-CD1 4.46Å; L132-I158 HydrophobicContact CB-CG1 4.4Å; I158-L161 WeakPolarHBondContact O-CB 3.44Å; I158-L161 PolarHBondContact O-N 3.38Å; I158-K162 PolarHBondContact O-N 2.79Å
159	R	82.9	Confident	80.2	Confident	147 Å²	147	39.9 Å²	39.9	56%	0.555	19%	0.186	S	C	*	.	H	α-helix	trans	-64.1	-47.8	171.5	169.3	176.3	179.8	172.1	1.8	112.7	Y128 N157 L161 K162 Q163	Y128-R159 WeakPolarHBondContact O-CB 3.28Å; N157-R159 PolarHBondContact O-N 3.44Å; N157-R159 PolarHBondContact OD1-N 2.73Å; R159-L161 VanDerWaalsContact C-N 3.28Å; R159-L161 PolarHBondContact O-N 2.8Å; R159-K162 PolarHBondContact O-N 2.8Å; R159-Q163 WeakPolarHBondContact O-CB 3.45Å; R159-Q163 PolarHBondContact O-N 2.98Å
160	R	81.3	Confident	79.5	Confident	52 Å²	52	41.8 Å²	41.8	20%	0.196	19%	0.191	C	C	.	.	H	α-helix	trans	-64.9	-34.5	177.2	-83.9	179.7	156.6	-168.9	-10.4	112.2	N157 K164 I542 D543 E544	N157-R160 HydrophobicContact CB-CB 4.22Å; N157-R160 PolarHBondContact O-N 3.29Å; N157-R160 PolarHBondContact OD1-N 3.28Å; R160-K164 PolarHBondContact O-N 2.84Å; R160-I542 PolarHBondContact NH1-O 2.93Å; R160-I542 PolarHBondContact NH2-O 2.94Å; R160-D543 WeakPolarHBondContact CD-OD1 3.19Å; R160-D543 IonicContact CZ-OD1 3.38Å; R160-D543 IonicContact NE-OD1 3.82Å; R160-D543 IonicContact NH1-OD1 2.78Å; R160-D543 PolarHBondContact NH1-OD1 3Å; R160-E544 IonicContact NH2-OE2 3.72Å
161	L	81.7	Confident	78.1	Confident	14 Å²	14	45.5 Å²	45.5	7%	0.073	21%	0.212	C	C	.	.	H	α-helix	trans	-63.1	-49.8	172.7	-79.3	172.4	0	0	0	112.5	L56 I58 F156 N157 I158 R159 K164 S165	L56-L161 HydrophobicContact CD2-CD1 4.13Å; L56-L161 HydrophobicContact CD2-CD2 3.56Å; I58-L161 HydrophobicContact CD1-CB 3.56Å; I58-L161 HydrophobicContact CD1-CD1 3.64Å; I58-L161 HydrophobicContact CD1-CD2 3.9Å; I58-L161 HydrophobicContact CD1-CG 3.89Å; F156-L161 HydrophobicContact CB-CD1 3.48Å; F156-L161 VanDerWaalsContact CB-CD1 3.48Å; F156-L161 HydrophobicContact CB-CD2 4.37Å; F156-L161 HydrophobicContact CB-CG 4.11Å; F156-L161 HydrophobicContact CG-CD1 4.48Å; N157-L161 WeakPolarHBondContact O-CB 3.44Å; N157-L161 VanDerWaalsContact O-CG 3.31Å; N157-L161 WeakPolarHBondContact O-CG 3.2Å; N157-L161 PolarHBondContact O-N 3.09Å; I158-L161 WeakPolarHBondContact O-CB 3.44Å; I158-L161 PolarHBondContact O-N 3.38Å; R159-L161 VanDerWaalsContact C-N 3.28Å; R159-L161 PolarHBondContact O-N 2.8Å; L161-K164 PolarHBondContact O-N 2.88Å; L161-S165 PolarHBondContact O-N 3.36Å; L161-S165 VanDerWaalsContact O-N 3.13Å
162	K	78	Confident	76.4	Confident	38 Å²	38	49.1 Å²	49.1	17%	0.165	23%	0.23	C	C	.	.	H	α-helix	trans	-59.3	-46.5	173.4	-81	-156.2	172.9	-166.2	0	111.8	D60 I158 R159 K164 S165 I166	D60-K162 WeakPolarHBondContact O-CE 3.36Å; D60-K162 PolarHBondContact O-NZ 2.89Å; I158-K162 PolarHBondContact O-N 2.79Å; R159-K162 PolarHBondContact O-N 2.8Å; K162-K164 PolarHBondContact O-N 2.8Å; K162-S165 PolarHBondContact O-N 2.79Å; K162-S165 VanDerWaalsContact O-N 3.09Å; K162-S165 PolarHBondContact O-OG 3.09Å; K162-I166 PolarHBondContact O-N 2.92Å; K162-I166 VanDerWaalsContact O-N 3.11Å
163	Q	77.7	Confident	74.8	Confident	97 Å²	97	55 Å²	55	45%	0.453	26%	0.261	S	S	.	.	H	α-helix	trans	-55.8	-48.3	178.8	178.8	174.8	-15.1	0	0	111.5	R159 S165 I166 E167	R159-Q163 WeakPolarHBondContact O-CB 3.45Å; R159-Q163 PolarHBondContact O-N 2.98Å; Q163-S165 VanDerWaalsContact C-N 3.32Å; Q163-S165 PolarHBondContact O-N 3.41Å; Q163-I166 PolarHBondContact O-N 2.92Å; Q163-E167 HydrophobicContact CG-CG 4.48Å; Q163-E167 WeakPolarHBondContact CG-OE1 3.36Å; Q163-E167 PolarHBondContact NE2-OE1 2.81Å; Q163-E167 WeakPolarHBondContact O-CG 3Å; Q163-E167 PolarHBondContact O-N 2.86Å
164	K	68.7	Low	72.8	Confident	57 Å²	57	59.3 Å²	59.3	25%	0.248	29%	0.288	C	S	.	.	H	α-helix	trans	-65.1	-32.4	177.5	-170.8	171.1	-175.7	-173.2	0	113.2	R160 L161 K162 I166 E167 S168 L212 P213	R160-K164 PolarHBondContact O-N 2.84Å; L161-K164 PolarHBondContact O-N 2.88Å; K162-K164 PolarHBondContact O-N 2.8Å; K164-I166 VanDerWaalsContact C-N 3.33Å; K164-E167 PolarHBondContact O-N 2.72Å; K164-S168 WeakPolarHBondContact O-CB 3.31Å; K164-S168 PolarHBondContact O-N 2.95Å; K164-S168 PolarHBondContact O-OG 2.78Å; K164-L212 HydrophobicContact CD-CB 3.47Å; K164-L212 VanDerWaalsContact CD-CB 3.47Å; K164-L212 HydrophobicContact CD-CD1 4.48Å; K164-L212 HydrophobicContact CD-CD2 4.28Å; K164-L212 HydrophobicContact CD-CG 4.29Å; K164-L212 PolarHBondContact NZ-O 2.98Å; K164-P213 PolarHBondContact NZ-O 3.31Å
165	S	70.4	Confident	70.7	Confident	7 Å²	7	65.9 Å²	65.9	5%	0.049	32%	0.323	C	S	.	.	H	α-helix	trans	-63.5	-39.4	174	63.8	0	0	0	0	112.4	L161 K162 Q163 S168 L169	L161-S165 PolarHBondContact O-N 3.36Å; L161-S165 VanDerWaalsContact O-N 3.13Å; K162-S165 PolarHBondContact O-N 2.79Å; K162-S165 VanDerWaalsContact O-N 3.09Å; K162-S165 PolarHBondContact O-OG 3.09Å; Q163-S165 VanDerWaalsContact C-N 3.32Å; Q163-S165 PolarHBondContact O-N 3.41Å; S165-S168 PolarHBondContact O-N 2.85Å; S165-L169 WeakPolarHBondContact O-CG 3.42Å; S165-L169 PolarHBondContact O-N 2.9Å
166	I	69.9	Low	68.2	Low	75 Å²	75	69.9 Å²	69.9	39%	0.385	35%	0.351	S	S	.	.	H	α-helix	trans	-68.6	-40.2	174.6	-62.9	164.9	0	0	0	111.1	K162 Q163 K164 L169 K170	K162-I166 PolarHBondContact O-N 2.92Å; K162-I166 VanDerWaalsContact O-N 3.11Å; Q163-I166 PolarHBondContact O-N 2.92Å; K164-I166 VanDerWaalsContact C-N 3.33Å; I166-L169 PolarHBondContact O-N 3.06Å; I166-K170 HydrophobicContact CG2-CD 4.34Å; I166-K170 WeakPolarHBondContact O-CG 3.24Å; I166-K170 PolarHBondContact O-N 3.18Å
167	E	66.1	Low	65.5	Low	86 Å²	86	78 Å²	78	40%	0.402	39%	0.389	S	S	.	.	H	α-helix	trans	-66.3	-39	176.6	-70.9	163.4	176.8	0	0	112.1	Q163 K164 K170 L171	Q163-E167 HydrophobicContact CG-CG 4.48Å; Q163-E167 WeakPolarHBondContact CG-OE1 3.36Å; Q163-E167 PolarHBondContact NE2-OE1 2.81Å; Q163-E167 WeakPolarHBondContact O-CG 3Å; Q163-E167 PolarHBondContact O-N 2.86Å; K164-E167 PolarHBondContact O-N 2.72Å; E167-K170 PolarHBondContact O-N 3.36Å; E167-L171 WeakPolarHBondContact O-CG 3.4Å; E167-L171 PolarHBondContact O-N 2.9Å
168	S	63.3	Low	62.9	Low	17 Å²	17	84.2 Å²	84.2	12%	0.119	42%	0.422	C	S	.	.	H	α-helix	trans	-67.5	-38.9	176.5	-51.8	0	0	0	0	111.5	K164 S165 L172	K164-S168 WeakPolarHBondContact O-CB 3.31Å; K164-S168 PolarHBondContact O-N 2.95Å; K164-S168 PolarHBondContact O-OG 2.78Å; S165-S168 PolarHBondContact O-N 2.85Å; S168-L172 WeakPolarHBondContact O-CG 3.18Å; S168-L172 PolarHBondContact O-N 3.25Å
169	L	62.4	Low	60.4	Low	80 Å²	80	91.5 Å²	91.5	42%	0.419	46%	0.461	S	S	.	.	H	α-helix	trans	-64.8	-38.7	171.4	-75.6	168.3	0	0	0	112.4	S165 I166 L172 L173 V217	S165-L169 WeakPolarHBondContact O-CG 3.42Å; S165-L169 PolarHBondContact O-N 2.9Å; I166-L169 PolarHBondContact O-N 3.06Å; L169-L172 PolarHBondContact O-N 2.68Å; L169-L173 VanDerWaalsContact O-CG 3.29Å; L169-L173 WeakPolarHBondContact O-CG 3.19Å; L169-L173 PolarHBondContact O-N 3.04Å; L169-L173 VanDerWaalsContact O-N 3.12Å; L169-V217 HydrophobicContact CD2-CG1 4.11Å
170	K	66.5	Low	58	Low	133 Å²	133	92.8 Å²	92.8	58%	0.578	47%	0.473	S	S	*	.	H	α-helix	trans	-63.8	-43.3	176.8	-78.5	174.4	178.4	-178.4	0	112.6	I166 E167 L173 T174	I166-K170 HydrophobicContact CG2-CD 4.34Å; I166-K170 WeakPolarHBondContact O-CG 3.24Å; I166-K170 PolarHBondContact O-N 3.18Å; E167-K170 PolarHBondContact O-N 3.36Å; K170-L173 PolarHBondContact O-N 2.76Å; K170-L173 VanDerWaalsContact O-N 3.15Å; K170-T174 PolarHBondContact O-N 2.76Å; K170-T174 PolarHBondContact O-OG1 2.99Å
171	L	58.7	Low	55.5	Low	108 Å²	108	95 Å²	95	57%	0.565	50%	0.497	S	S	*	.	H	α-helix	trans	-62	-44.8	176.6	-69.7	167.7	0	0	0	111.6	E167 L173 T174 D175	E167-L171 WeakPolarHBondContact O-CG 3.4Å; E167-L171 PolarHBondContact O-N 2.9Å; L171-L173 PolarHBondContact O-N 3.08Å; L171-T174 WeakPolarHBondContact CA-OG1 3.49Å; L171-T174 PolarHBondContact O-N 2.94Å; L171-T174 PolarHBondContact O-OG1 2.67Å; L171-D175 PolarHBondContact O-N 2.87Å
172	L	51.2	Low	53.1	Low	87 Å²	87	102.9 Å²	102.9	46%	0.455	54%	0.535	S	S	.	.	H	α-helix	trans	-62.8	-22	175	-72.6	167.7	0	0	0	113.9	S168 L169 V217	S168-L172 WeakPolarHBondContact O-CG 3.18Å; S168-L172 PolarHBondContact O-N 3.25Å; L169-L172 PolarHBondContact O-N 2.68Å; L172-V217 HydrophobicContact CD1-CB 3.83Å
173	L	55.5	Low	50.6	Low	124 Å²	124	108.1 Å²	108.1	65%	0.649	57%	0.565	S	S	*	*	H	α-helix	trans	-87	-34.3	174.4	-70.9	166.2	0	0	0	112.4	L169 K170 L171 S176	L169-L173 VanDerWaalsContact O-CG 3.29Å; L169-L173 WeakPolarHBondContact O-CG 3.19Å; L169-L173 PolarHBondContact O-N 3.04Å; L169-L173 VanDerWaalsContact O-N 3.12Å; K170-L173 PolarHBondContact O-N 2.76Å; K170-L173 VanDerWaalsContact O-N 3.15Å; L171-L173 PolarHBondContact O-N 3.08Å; L173-S176 PolarHBondContact O-OG 2.89Å
174	T	49.3	Very low	48.4	Very low	90 Å²	90	110.6 Å²	110.6	55%	0.552	58%	0.581	S	S	*	*	H	α-helix	trans	-72.7	-35.5	179.6	47.9	0	0	0	0	113.3	K170 L171 S176	K170-T174 PolarHBondContact O-N 2.76Å; K170-T174 PolarHBondContact O-OG1 2.99Å; L171-T174 WeakPolarHBondContact CA-OG1 3.49Å; L171-T174 PolarHBondContact O-N 2.94Å; L171-T174 PolarHBondContact O-OG1 2.67Å; T174-S176 PolarHBondContact O-N 2.95Å
175	D	46.6	Very low	46.7	Very low	139 Å²	139	117 Å²	117	74%	0.743	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	21.7	-176.6	-61.5	0.1	0	0	0	112.9	L171	L171-D175 PolarHBondContact O-N 2.87Å
176	S	39.7	Very low	44.8	Very low	84 Å²	84	125.5 Å²	125.5	59%	0.587	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.4	4.9	-176.8	73.8	0	0	0	0	114.6	L173 T174	L173-S176 PolarHBondContact O-OG 2.89Å; T174-S176 PolarHBondContact O-N 2.95Å
177	Q	33.1	Very low	43	Very low	170 Å²	170	130.1 Å²	130.1	79%	0.794	67%	0.665	S	S	*	*			trans	-114.2	54.9	-176.4	-68.1	-154.1	-32.3	0	0	114.8
178	D	32.4	Very low	41.4	Very low	159 Å²	159	130.9 Å²	130.9	85%	0.85	68%	0.68	S	S	*	*			trans	-129.2	77.7	154.2	-96.6	-45.4	0	0	0	109.9
179	N	33.1	Very low	39.9	Very low	158 Å²	158	135.3 Å²	135.3	85%	0.845	71%	0.706	S	S	*	*	S	Bend	trans	-179.8	162.4	138.2	-102.5	-72.5	0	0	0	112.4
180	H	32.5	Very low	38.2	Very low	173 Å²	173	136.8 Å²	136.8	80%	0.801	72%	0.718	S	S	*	*			trans	-60.9	138.4	-167.5	-82	-95.6	0	0	0	117
181	S	29.6	Very low	36.6	Very low	99 Å²	99	138.2 Å²	138.2	69%	0.692	73%	0.727	S	S	*	*			trans	57.1	117.8	146.7	61.2	0	0	0	0	120.2
182	M	29.8	Very low	35.3	Very low	179 Å²	179	139.6 Å²	139.6	88%	0.882	74%	0.735	S	S	*	*				-163.6	156	94.5	-97.9	-59.4	-176.5	0	0	111.8
183	N	27	Very low	34.4	Very low	149 Å²	149	141.9 Å²	141.9	80%	0.797	75%	0.747	S	S	*	*			trans	-95.2	139.8	173.5	-71.9	-75	0	0	0	111
184	L	30.1	Very low	33.2	Very low	149 Å²	149	141.8 Å²	141.8	78%	0.78	75%	0.747	S	S	*	*			trans	166.8	131.9	146.4	-111.9	56.7	0	0	0	106.8
185	F	34	Very low	32.2	Very low	190 Å²	190	145 Å²	145	83%	0.833	76%	0.761	S	S	*	*			cis	-124.5	165.7	11.9	-89.8	-100.2	0	0	0	113.2
186	K	30.7	Very low	31.5	Very low	186 Å²	186	143.9 Å²	143.9	81%	0.809	76%	0.763	S	S	*	*			trans	-100.1	-178.6	167.7	-77.6	-177.2	172.9	179.4	0	111.2
187	E	31.8	Very low	31.1	Very low	173 Å²	173	149.1 Å²	149.1	81%	0.808	78%	0.775	S	S	*	*			trans	96.8	92.2	160.6	-65.8	165.5	-163.6	0	0	113.4
188	S	32.3	Very low	30.9	Very low	102 Å²	102	147 Å²	147	71%	0.713	78%	0.775	S	S	*	*				92.2	149.9	74.9	68.1	0	0	0	0	111.5
189	T	30.6	Very low	30.6	Very low	110 Å²	110	146.9 Å²	146.9	68%	0.675	77%	0.774	S	S	*	*			cis	-157.7	125.2	29.7	-28.9	0	0	0	0	112
190	T	27.7	Very low	30.5	Very low	110 Å²	110	149 Å²	149	68%	0.675	78%	0.776	S	S	*	*			trans	53.9	158	142.7	57.9	0	0	0	0	124.9
191	Q	31.9	Very low	30	Very low	164 Å²	164	150.8 Å²	150.8	77%	0.766	78%	0.781	S	S	*	*			trans	75.3	125.8	162.1	-66.6	153	-5.2	0	0	116.6
192	D	31.9	Very low	29.9	Very low	136 Å²	136	151.7 Å²	151.7	73%	0.727	79%	0.786	S	S	*	*			cis	-165.1	175.8	-8.7	-106.2	-15.3	0	0	0	108.1
193	L	33.3	Very low	29.6	Very low	136 Å²	136	148.2 Å²	148.2	71%	0.712	78%	0.78	S	S	*	*			cis	-149.4	-150.1	12.2	-155.6	65.7	0	0	0	110.6
194	D	30.4	Very low	29.5	Very low	121 Å²	121	151.5 Å²	151.5	65%	0.647	79%	0.787	S	S	*	*			trans	-46.8	142.4	177.6	-70	-45.4	0	0	0	117.9
195	L	27.3	Very low	29.4	Very low	159 Å²	159	149 Å²	149	83%	0.832	78%	0.782	S	S	*	*				60.8	130.7	69.8	-77.4	84.6	0	0	0	113.3
196	S	32.7	Very low	29	Very low	114 Å²	114	147.8 Å²	147.8	80%	0.797	78%	0.779	S	S	*	*				-153.8	170.1	52.4	57.3	0	0	0	0	114.7
197	K	30.4	Very low	28.8	Very low	194 Å²	194	145.8 Å²	145.8	84%	0.843	77%	0.772	S	S	*	*			trans	-84.2	138.6	-178.7	-63	171.4	180	171.8	0	112.2
198	T	30	Very low	28.4	Very low	127 Å²	127	145.4 Å²	145.4	78%	0.779	77%	0.768	S	S	*	*			trans	-127.4	143.6	150.9	54.4	0	0	0	0	109.9
199	N	26.4	Very low	28.2	Very low	156 Å²	156	142.9 Å²	142.9	83%	0.834	75%	0.75	S	S	*	*			trans	-90.7	116.6	-175.5	-66.8	-56.2	0	0	0	110.8
200	F	29.2	Very low	28	Very low	201 Å²	201	140.6 Å²	140.6	88%	0.882	73%	0.733	S	S	*	*			trans	-112.8	101.7	160.3	-97.9	-81.7	0	0	0	110.7	C202	F200-C202 PolarHBondContact O-N 2.81Å
201	K	22.6	Very low	28	Very low	211 Å²	211	138.4 Å²	138.4	92%	0.917	72%	0.722	S	S	*	*			trans	-92.8	77.6	177.7	-174.6	-177.1	179	-178.6	0	109.3
202	C	26.9	Very low	28.3	Very low	119 Å²	119	132.4 Å²	132.4	80%	0.804	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-79.2	146.6	173	-157.5	0	0	0	0	111.1	F200	F200-C202 PolarHBondContact O-N 2.81Å
203	S	25.2	Very low	28.7	Very low	106 Å²	106	126.5 Å²	126.5	74%	0.741	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-83.4	156.9	-173.7	44.3	0	0	0	0	113.6	S205	S203-S205 PolarHBondContact O-N 2.78Å
204	K	24.5	Very low	28.9	Very low	217 Å²	217	122.6 Å²	122.6	94%	0.943	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-59.6	125.8	175.6	-59.8	178	178.4	-177	0	111.5
205	S	27.3	Very low	29.4	Very low	98 Å²	98	118 Å²	118	69%	0.685	62%	0.624	S	S	*	*			trans	-162.6	93.3	161.3	-172.3	0	0	0	0	111.3	S203	S203-S205 PolarHBondContact O-N 2.78Å
206	E	25.7	Very low	29.9	Very low	164 Å²	164	115.2 Å²	115.2	77%	0.766	61%	0.606	S	S	*	*			trans	47.7	128.1	139	-70.2	171.4	-162.7	0	0	122.8
207	H	26.6	Very low	30.2	Very low	143 Å²	143	112 Å²	112	66%	0.662	58%	0.582	S	S	*	*			trans	60.5	91	160.2	-62.4	-74.8	0	0	0	121.1	E538	H207-E538 IonicContact CE1-OE1 2.95Å; H207-E538 PolarHBondContact CE1-OE1 3.03Å; H207-E538 IonicContact CG-OE1 2.6Å; H207-E538 IonicContact ND1-OE1 2.88Å; H207-E538 PolarHBondContact ND1-OE1 3.15Å
208	F	23.5	Very low	30.2	Very low	166 Å²	166	109.3 Å²	109.3	73%	0.728	57%	0.574	S	S	*	*			trans	-140.7	118.5	157.2	-72.8	-103	0	0	0	110.2
209	S	27.8	Very low	30.6	Very low	48 Å²	48	111.5 Å²	111.5	34%	0.336	58%	0.581	S	S	.	*			trans	-145	52.2	-171	44.7	0	0	0	0	114.6	S211 E538 C540	S209-S211 PolarHBondContact O-N 2.85Å; S209-E538 WeakPolarHBondContact CB-OE2 3.31Å; S209-E538 PolarHBondContact OG-OE2 3.15Å; S209-C540 PolarHBondContact N-SG 3.39Å; S209-C540 VanDerWaalsContact N-SG 3.38Å; S209-C540 VanDerWaalsContact O-CB 3.31Å; S209-C540 WeakPolarHBondContact O-CB 3.47Å; S209-C540 PolarHBondContact O-SG 2.87Å; S209-C540 VanDerWaalsContact O-SG 3.38Å; S209-C540 PolarHBondContact OG-SG 3.4Å
210	I	26.4	Very low	31.2	Very low	63 Å²	63	111.8 Å²	111.8	32%	0.323	58%	0.577	S	S	.	*			trans	-52.2	114.2	-171.9	-46.7	179	0	0	0	113.7	L212 C540	I210-L212 VanDerWaalsContact C-N 3.34Å; I210-L212 HydrophobicContact CB-CD1 4.16Å; I210-L212 HydrophobicContact CG2-CD1 3.6Å; I210-L212 HydrophobicContact CG2-CG 4.26Å; I210-L212 PolarHBondContact O-N 2.95Å; I210-C540 WeakPolarHBondContact CA-O 3.45Å; I210-C540 WeakPolarHBondContact CG2-O 3.42Å
211	S	28.9	Very low	32.2	Very low	63 Å²	63	107.4 Å²	107.4	44%	0.441	56%	0.563	S	S	.	*			trans	-89	59.7	-172	53.2	0	0	0	0	114.2	S209 C540	S209-S211 PolarHBondContact O-N 2.85Å; S211-C540 PolarHBondContact N-O 2.84Å
212	L	37.7	Very low	33.6	Very low	39 Å²	39	99 Å²	99	20%	0.204	53%	0.527	C	S	.	.			trans	-61.7	159.7	173.7	-84	122.1	0	0	0	113.5	K164 I210	K164-L212 HydrophobicContact CD-CB 3.47Å; K164-L212 VanDerWaalsContact CD-CB 3.47Å; K164-L212 HydrophobicContact CD-CD1 4.48Å; K164-L212 HydrophobicContact CD-CD2 4.28Å; K164-L212 HydrophobicContact CD-CG 4.29Å; K164-L212 PolarHBondContact NZ-O 2.98Å; I210-L212 VanDerWaalsContact C-N 3.34Å; I210-L212 HydrophobicContact CB-CD1 4.16Å; I210-L212 HydrophobicContact CG2-CD1 3.6Å; I210-L212 HydrophobicContact CG2-CG 4.26Å; I210-L212 PolarHBondContact O-N 2.95Å
213	P	40.1	Very low	35.2	Very low	11 Å²	11	93.9 Å²	93.9	7%	0.071	49%	0.492	C	S	.	.			trans	-49.5	149.2	-176.6	-27.5	33.9	0	0	0	115.8	F156 K164 L215 Y228	F156-P213 HydrophobicContact CD1-CG 4.45Å; F156-P213 HydrophobicContact CE1-CG 4.19Å; K164-P213 PolarHBondContact NZ-O 3.31Å; P213-L215 VanDerWaalsContact C-N 3.25Å; P213-L215 PolarHBondContact O-N 2.98Å; P213-Y228 WeakPolarHBondContact CG-OH 3.18Å
214	S	37.1	Very low	37.4	Very low	54 Å²	54	95.1 Å²	95.1	38%	0.378	48%	0.484	S	S	.	.			trans	-70.7	75.2	173.4	-56	0	0	0	0	111.2	E216	S214-E216 PolarHBondContact O-N 3.34Å
215	L	42.1	Very low	40.2	Very low	25 Å²	25	87 Å²	87	13%	0.131	46%	0.455	C	S	.	.			trans	-79.1	65.8	178.7	-157.3	84	0	0	0	111.1	L56 P213 V217 P223	L56-L215 WeakPolarHBondContact O-CD1 3.26Å; P213-L215 VanDerWaalsContact C-N 3.25Å; P213-L215 PolarHBondContact O-N 2.98Å; L215-V217 HydrophobicContact CD2-CG2 4.22Å; L215-V217 HydrophobicContact CG-CG2 4.34Å; L215-V217 PolarHBondContact O-N 2.82Å; L215-P223 HydrophobicContact CD1-CG 4.39Å
216	E	36.2	Very low	43	Very low	100 Å²	100	83.7 Å²	83.7	47%	0.467	43%	0.428	S	S	.	.			trans	-64.9	99	169.3	-71.6	167.9	-172.7	0	0	108.4	S214 M218 K224	S214-E216 PolarHBondContact O-N 3.34Å; E216-M218 VanDerWaalsContact C-N 3.34Å; E216-M218 PolarHBondContact O-N 2.95Å; E216-K224 IonicContact OE1-NZ 3.62Å
217	V	38.8	Very low	46	Very low	47 Å²	47	77.5 Å²	77.5	29%	0.285	40%	0.398	S	S	.	.			trans	-80	85.7	174.4	-176.9	0	0	0	0	108.5	L169 L172 L215	L169-V217 HydrophobicContact CD2-CG1 4.11Å; L172-V217 HydrophobicContact CD1-CB 3.83Å; L215-V217 HydrophobicContact CD2-CG2 4.22Å; L215-V217 HydrophobicContact CG-CG2 4.34Å; L215-V217 PolarHBondContact O-N 2.82Å
218	M	31.4	Very low	49.1	Very low	138 Å²	138	70.9 Å²	70.9	68%	0.68	37%	0.367	S	S	*	.	S	Bend	trans	-130.9	155.5	172.5	-89.6	-73.1	158.6	0	0	109.3	E216 Q220	E216-M218 VanDerWaalsContact C-N 3.34Å; E216-M218 PolarHBondContact O-N 2.95Å; M218-Q220 PolarHBondContact O-N 2.95Å
219	N	38.7	Very low	52.2	Low	172 Å²	172	65.6 Å²	65.6	92%	0.92	34%	0.343	S	S	*	.	S	Bend	trans	-76.1	49.2	-168.7	-67.9	-27.9	0	0	0	114.5
220	Q	38.2	Very low	55.1	Low	163 Å²	163	63.3 Å²	63.3	76%	0.762	33%	0.327	S	S	*	.	S	Bend	trans	-125.9	141.9	167.4	-64.3	-172.8	2	0	0	108.7	M218 F222	M218-Q220 PolarHBondContact O-N 2.95Å; Q220-F222 PolarHBondContact O-N 3.29Å
221	D	50.6	Low	57.9	Low	109 Å²	109	60.3 Å²	60.3	58%	0.583	31%	0.312	S	S	*	.	S	Bend	trans	-54.6	-27.3	-155.8	-84.8	-53.5	0	0	0	117.5	R64	R64-D221 VanDerWaalsContact CZ-O 3.27Å; R64-D221 PolarHBondContact NH1-O 3.11Å; R64-D221 IonicContact NH1-OD1 3.08Å; R64-D221 PolarHBondContact NH2-O 3.02Å
222	F	52.7	Low	60.4	Low	34 Å²	34	57.7 Å²	57.7	15%	0.149	30%	0.295	C	S	.	.	S	Bend	trans	-139.8	139.4	177.6	-81.7	-94	0	0	0	110.3	A55 H57 R64 Q66 K118 Q220	A55-F222 HydrophobicContact CB-CB 3.91Å; A55-F222 HydrophobicContact CB-CD1 3.83Å; A55-F222 HydrophobicContact CB-CG 4.26Å; H57-F222 HydrophobicContact CB-CD1 4.48Å; R64-F222 HydrophobicContact CB-CE1 3.82Å; R64-F222 HydrophobicContact CB-CZ 3.81Å; Q66-F222 HydrophobicContact CB-CD1 3.87Å; Q66-F222 HydrophobicContact CB-CE1 3.82Å; Q66-F222 HydrophobicContact CB-CG 4.28Å; Q66-F222 HydrophobicContact CB-CZ 4.2Å; K118-F222 HydrophobicContact CB-CZ 4.45Å; K118-F222 HydrophobicContact CD-CD2 4.33Å; K118-F222 HydrophobicContact CD-CE2 3.56Å; K118-F222 HydrophobicContact CD-CZ 4.12Å; K118-F222 HydrophobicContact CG-CE2 3.97Å; K118-F222 HydrophobicContact CG-CZ 4.04Å; Q220-F222 PolarHBondContact O-N 3.29Å
223	P	60.4	Low	62.5	Low	12 Å²	12	59.4 Å²	59.4	8%	0.078	30%	0.302	C	S	.	.			trans	-67.2	159.8	175.3	30.1	-34.7	0	0	0	110.4	A55 L56 H57 L215 S225	A55-P223 WeakPolarHBondContact CB-O 3.4Å; L56-P223 WeakPolarHBondContact O-CG 3.09Å; H57-P223 HydrophobicContact CB-CG 4.32Å; L215-P223 HydrophobicContact CD1-CG 4.39Å; P223-S225 PolarHBondContact O-N 2.67Å
224	K	70.4	Confident	64.2	Low	131 Å²	131	61.5 Å²	61.5	57%	0.57	31%	0.312	S	S	*	.			trans	-42.7	108.6	-177.2	-168.9	177.7	-164.1	163.5	0	113	E216 Q226	E216-K224 IonicContact OE1-NZ 3.62Å; K224-Q226 PolarHBondContact O-N 3.06Å
225	S	83.6	Confident	66.2	Low	47 Å²	47	59.9 Å²	59.9	33%	0.329	30%	0.3	S	S	.	.			trans	-57.1	128.5	-174.7	64.5	0	0	0	0	112.2	Q53 L54 P223	Q53-S225 PolarHBondContact NE2-OG 2.82Å; L54-S225 CarbonylContact O-C 3.54Å; L54-S225 WeakPolarHBondContact O-CA 3.49Å; P223-S225 PolarHBondContact O-N 2.67Å
226	Q	85.8	Confident	68.1	Low	29 Å²	29	58.7 Å²	58.7	14%	0.136	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	147.1	-176.9	-167	170	23.9	0	0	110.6	L54 K224 Y228	L54-Q226 PolarHBondContact N-O 3.08Å; L54-Q226 PolarHBondContact O-N 3.33Å; L54-Q226 VanDerWaalsContact O-O 3.14Å; K224-Q226 PolarHBondContact O-N 3.06Å; Q226-Y228 HydrophobicContact CB-CE2 3.82Å; Q226-Y228 HydrophobicContact CG-CE2 4.26Å; Q226-Y228 WeakPolarHBondContact O-CD2 3.34Å; Q226-Y228 WeakPolarHBondContact O-CE2 3.36Å; Q226-Y228 PolarHBondContact OE1-OH 3.2Å
227	W	89.8	Confident	70.3	Confident	33 Å²	33	55.7 Å²	55.7	13%	0.125	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	142.8	171.7	-73.8	98.5	0	0	0	110.3	Q51 Q53 K69 R71 S242 V243	Q51-W227 HydrophobicContact CB-CE3 3.94Å; Q51-W227 HydrophobicContact CB-CZ3 4.36Å; Q53-W227 HydrophobicContact CB-CD2 3.86Å; Q53-W227 HydrophobicContact CB-CE3 3.69Å; Q53-W227 HydrophobicContact CB-CH2 3.85Å; Q53-W227 HydrophobicContact CB-CZ2 4.02Å; Q53-W227 HydrophobicContact CB-CZ3 3.66Å; Q53-W227 HydrophobicContact CG-CD2 4.16Å; Q53-W227 HydrophobicContact CG-CE3 4.49Å; Q53-W227 HydrophobicContact CG-CZ2 4.3Å; Q53-W227 VanDerWaalsContact OE1-CZ2 3.23Å; K69-W227 HydrophobicContact CD-CH2 4.4Å; K69-W227 HydrophobicContact CG-CH2 3.93Å; R71-W227 HydrophobicContact CB-CH2 4.26Å; R71-W227 HydrophobicContact CB-CZ3 4.29Å; R71-W227 VanDerWaalsContact CD-CH2 3.44Å; R71-W227 HydrophobicContact CG-CE3 4.23Å; R71-W227 HydrophobicContact CG-CH2 3.7Å; R71-W227 HydrophobicContact CG-CZ3 3.49Å; R71-W227 VanDerWaalsContact CG-CZ3 3.49Å; W227-S242 CarbonylContact O-C 3.37Å; W227-S242 WeakPolarHBondContact O-CA 3.41Å; W227-V243 HydrophobicContact CB-CB 3.76Å; W227-V243 HydrophobicContact CB-CG2 3.61Å; W227-V243 PolarHBondContact O-N 2.57Å
228	Y	90.2	Very high	72.2	Confident	5 Å²	5	57 Å²	57	2%	0.02	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	150.8	174	-60.2	-89.2	0	0	0	110.5	Q51 L52 L54 M154 F156 P213 Q226 M241	Q51-Y228 CarbonylContact C-O 3.53Å; Q51-Y228 WeakPolarHBondContact CA-O 3.44Å; L52-Y228 PolarHBondContact N-O 2.83Å; L52-Y228 PolarHBondContact O-N 3.35Å; L54-Y228 HydrophobicContact CB-CD2 4.02Å; L54-Y228 HydrophobicContact CB-CE2 3.94Å; L54-Y228 HydrophobicContact CD1-CD2 3.88Å; L54-Y228 HydrophobicContact CD1-CE2 4.27Å; L54-Y228 HydrophobicContact CG-CD2 4.14Å; M154-Y228 WeakPolarHBondContact SD-CB 3.4Å; M154-Y228 HydrophobicContact SD-CD1 4.44Å; M154-Y228 HydrophobicContact SD-CD2 4.27Å; M154-Y228 HydrophobicContact SD-CG 3.81Å; F156-Y228 HydrophobicContact CE1-CD1 4.32Å; F156-Y228 AromaticContact CE1-CE1 3.78Å; F156-Y228 HydrophobicContact CE1-CE1 3.78Å; F156-Y228 HydrophobicContact CZ-CD1 4.09Å; F156-Y228 AromaticContact CZ-CE1 3.89Å; F156-Y228 HydrophobicContact CZ-CE1 3.89Å; F156-Y228 HydrophobicContact CZ-CE2 4.3Å; F156-Y228 HydrophobicContact CZ-CG 4.41Å; P213-Y228 WeakPolarHBondContact CG-OH 3.18Å; Q226-Y228 HydrophobicContact CB-CE2 3.82Å; Q226-Y228 HydrophobicContact CG-CE2 4.26Å; Q226-Y228 WeakPolarHBondContact O-CD2 3.34Å; Q226-Y228 WeakPolarHBondContact O-CE2 3.36Å; Q226-Y228 PolarHBondContact OE1-OH 3.2Å; Y228-M241 CarbonylContact C-O 3.31Å; Y228-M241 VanDerWaalsContact CA-O 3.28Å; Y228-M241 WeakPolarHBondContact CA-O 3.32Å
229	Y	88.5	Confident	74.5	Confident	54 Å²	54	55.1 Å²	55.1	21%	0.212	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	136.7	174.8	-66.9	-92.4	0	0	0	111.3	W48 Q51 L231 M241 V243	W48-Y229 HydrophobicContact CB-CD1 4.16Å; W48-Y229 HydrophobicContact CD2-CD1 4.26Å; W48-Y229 HydrophobicContact CG-CD1 4.02Å; Q51-Y229 HydrophobicContact CG-CD1 4.01Å; Q51-Y229 HydrophobicContact CG-CE1 4.32Å; Y229-L231 PolarHBondContact O-N 3.13Å; Y229-M241 HydrophobicContact CD1-CE 4.16Å; Y229-M241 HydrophobicContact CD2-CB 4.25Å; Y229-M241 HydrophobicContact CD2-CE 3.34Å; Y229-M241 HydrophobicContact CD2-CG 3.98Å; Y229-M241 HydrophobicContact CD2-SD 4.48Å; Y229-M241 HydrophobicContact CE2-CE 3.8Å; Y229-M241 HydrophobicContact CE2-CG 4.49Å; Y229-M241 HydrophobicContact CG-CE 3.54Å; Y229-M241 PolarHBondContact N-O 2.75Å; Y229-V243 HydrophobicContact CD2-CG2 3.87Å; Y229-V243 HydrophobicContact CE2-CB 4.21Å; Y229-V243 HydrophobicContact CE2-CG1 4.48Å; Y229-V243 HydrophobicContact CE2-CG2 3.59Å; Y229-V243 HydrophobicContact CG-CG2 4.47Å
230	L	88.8	Confident	76.7	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.235	C	C	.	.			trans	-81.5	104.1	173.5	-71.9	166.1	0	0	0	109.6	W48 Q49 G50 L52 L73 L136 M154	W48-L230 CarbonylContact C-O 3.57Å; W48-L230 VanDerWaalsContact CA-O 3.24Å; W48-L230 WeakPolarHBondContact CA-O 3.16Å; Q49-L230 PolarHBondContact N-O 3.38Å; G50-L230 PolarHBondContact O-N 2.68Å; L52-L230 HydrophobicContact CB-CD1 4.37Å; L52-L230 HydrophobicContact CB-CD2 3.96Å; L52-L230 HydrophobicContact CB-CG 4.09Å; L52-L230 HydrophobicContact CD2-CD2 4.23Å; L73-L230 HydrophobicContact CD2-CD1 3.6Å; L136-L230 HydrophobicContact CB-CD2 4.2Å; L136-L230 HydrophobicContact CD2-CD1 3.68Å; M154-L230 HydrophobicContact CE-CD2 3.94Å
231	L	85.6	Confident	78.7	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-85.1	154.9	-174.5	-53.3	-180	0	0	0	112.1	G152 G153 Y229 C236 R239 M241	G152-L231 CarbonylContact C-O 3.53Å; G152-L231 WeakPolarHBondContact CA-O 3.49Å; G153-L231 PolarHBondContact N-O 2.78Å; G153-L231 WeakPolarHBondContact O-CB 3.41Å; G153-L231 PolarHBondContact O-N 3.05Å; Y229-L231 PolarHBondContact O-N 3.13Å; L231-C236 HydrophobicContact CB-CB 4.36Å; L231-R239 HydrophobicContact CD1-CG 3.81Å; L231-M241 HydrophobicContact CD2-CB 4.49Å; L231-M241 HydrophobicContact CD2-CE 4.46Å
232	G	81.7	Confident	80.2	Confident	8 Å²	8	38.6 Å²	38.6	8%	0.082	19%	0.191	C	C	.	.			trans	-68.2	159.8	172.6	0	0	0	0	0	112.9	N234 S235 C236	G232-N234 PolarHBondContact O-N 3.41Å; G232-S235 PolarHBondContact N-OG 2.89Å; G232-S235 CarbonylContact O-C 3.57Å; G232-S235 WeakPolarHBondContact O-CA 3.17Å; G232-S235 WeakPolarHBondContact O-CB 3.42Å; G232-S235 PolarHBondContact O-N 2.8Å; G232-S235 PolarHBondContact O-OG 2.72Å; G232-C236 PolarHBondContact O-N 3.47Å
233	Q	81.7	Confident	81.3	Confident	75 Å²	75	37.9 Å²	37.9	35%	0.35	19%	0.19	S	C	.	.	H	α-helix	trans	-52.3	-54.7	-160.4	-156.8	174.2	16.2	0	0	115.6	F150 S235 C236 Y237	F150-Q233 HydrophobicContact CD1-CB 4.05Å; F150-Q233 HydrophobicContact CD1-CG 4.24Å; F150-Q233 HydrophobicContact CE1-CB 3.7Å; F150-Q233 HydrophobicContact CE1-CG 4.07Å; F150-Q233 HydrophobicContact CZ-CB 4.24Å; F150-Q233 HydrophobicContact CZ-CG 4.27Å; Q233-S235 PolarHBondContact O-N 3.03Å; Q233-C236 PolarHBondContact O-N 3.28Å; Q233-C236 PolarHBondContact O-SG 2.79Å; Q233-Y237 HydrophobicContact CG-CE2 3.89Å; Q233-Y237 PolarHBondContact NE2-OH 3.12Å; Q233-Y237 WeakPolarHBondContact O-CD2 3.44Å
234	N	75.8	Confident	81.3	Confident	55 Å²	55	40.4 Å²	40.4	29%	0.294	21%	0.208	S	C	.	.	H	α-helix	trans	-66.5	-14.7	178	-70.2	37.8	0	0	0	113.9	G232 G560 I562	G232-N234 PolarHBondContact O-N 3.41Å; N234-G560 PolarHBondContact ND2-O 2.95Å; N234-I562 HydrophobicContact CB-CB 3.95Å; N234-I562 PolarHBondContact ND2-N 2.96Å; N234-I562 WeakPolarHBondContact OD1-CB 3.09Å; N234-I562 WeakPolarHBondContact OD1-CD1 3.27Å; N234-I562 WeakPolarHBondContact OD1-CG1 3.35Å
235	S	78.3	Confident	80	Confident	19 Å²	19	38.8 Å²	38.8	13%	0.133	21%	0.209	C	C	.	.	H	α-helix	trans	-99	-20.2	178.4	57.4	0	0	0	0	114.4	G232 Q233 R239	G232-S235 PolarHBondContact N-OG 2.89Å; G232-S235 CarbonylContact O-C 3.57Å; G232-S235 WeakPolarHBondContact O-CA 3.17Å; G232-S235 WeakPolarHBondContact O-CB 3.42Å; G232-S235 PolarHBondContact O-N 2.8Å; G232-S235 PolarHBondContact O-OG 2.72Å; Q233-S235 PolarHBondContact O-N 3.03Å; S235-R239 WeakPolarHBondContact O-CG 3.36Å
236	C	82.8	Confident	77.4	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.007	21%	0.212	C	C	.	.	H	α-helix	trans	-71.9	-38.7	173.1	62.1	0	0	0	0	111.6	F150 G153 M154 S155 L231 G232 Q233 C238 R239	F150-C236 HydrophobicContact CZ-CB 4.44Å; F150-C236 VanDerWaalsContact CZ-SG 3.52Å; G153-C236 VanDerWaalsContact O-CB 3.26Å; G153-C236 WeakPolarHBondContact O-CB 2.91Å; M154-C236 CarbonylContact C-O 3.56Å; M154-C236 VanDerWaalsContact C-O 3.31Å; S155-C236 WeakPolarHBondContact CB-O 3.41Å; S155-C236 PolarHBondContact N-O 2.92Å; S155-C236 PolarHBondContact OG-O 3.17Å; L231-C236 HydrophobicContact CB-CB 4.36Å; G232-C236 PolarHBondContact O-N 3.47Å; Q233-C236 PolarHBondContact O-N 3.28Å; Q233-C236 PolarHBondContact O-SG 2.79Å; C236-C238 PolarHBondContact O-N 2.82Å; C236-R239 VanDerWaalsContact O-O 3.08Å
237	Y	83.4	Confident	74.7	Confident	37 Å²	37	42.9 Å²	42.9	15%	0.145	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.1	-174.4	-58.6	-39.4	0	0	0	114.8	P95 R131 Y133 S155 Q233	P95-Y237 HydrophobicContact CB-CD1 4.09Å; P95-Y237 HydrophobicContact CB-CE1 4.26Å; P95-Y237 HydrophobicContact CB-CG 4.33Å; P95-Y237 HydrophobicContact CG-CD2 4.29Å; P95-Y237 HydrophobicContact CG-CE2 4.41Å; P95-Y237 HydrophobicContact CG-CG 4.35Å; R131-Y237 PolarHBondContact NE-O 2.83Å; Y133-Y237 AromaticContact CD1-CD1 3.76Å; Y133-Y237 HydrophobicContact CD1-CD1 3.76Å; Y133-Y237 AromaticContact CE1-CD1 3.81Å; Y133-Y237 HydrophobicContact CE1-CD1 3.81Å; Y133-Y237 HydrophobicContact CE1-CG 4.25Å; Y133-Y237 WeakPolarHBondContact CE1-O 3.39Å; S155-Y237 PolarHBondContact OG-O 3.18Å; Q233-Y237 HydrophobicContact CG-CE2 3.89Å; Q233-Y237 PolarHBondContact NE2-OH 3.12Å; Q233-Y237 WeakPolarHBondContact O-CD2 3.44Å
238	C	78.5	Confident	71.6	Confident	74 Å²	74	48.2 Å²	48.2	50%	0.5	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-13.4	-175.7	-62	0	0	0	0	114.7	R131 C236	R131-C238 PolarHBondContact NH2-O 3.32Å; C236-C238 PolarHBondContact O-N 2.82Å
239	R	80	Confident	68.5	Low	99 Å²	99	57.5 Å²	57.5	37%	0.374	29%	0.293	S	S	.	.			trans	-155	163.4	-176.8	55.7	175.5	-178.1	-149.6	-0.4	113.4	S155 L231 S235 C236	S155-R239 PolarHBondContact N-O 2.96Å; S155-R239 CarbonylContact O-C 3.57Å; S155-R239 PolarHBondContact OG-N 2.83Å; L231-R239 HydrophobicContact CD1-CG 3.81Å; S235-R239 WeakPolarHBondContact O-CG 3.36Å; C236-R239 VanDerWaalsContact O-O 3.08Å
240	H	84.7	Confident	65.5	Low	20 Å²	20	60 Å²	60	9%	0.093	32%	0.318	C	S	.	.			trans	-116	168.5	159.1	54.4	-84.1	0	0	0	108.5	M154 S155 F156	M154-H240 HydrophobicContact CB-CB 3.91Å; S155-H240 PolarHBondContact O-N 3.38Å; S155-H240 PolarHBondContact O-ND1 2.95Å; F156-H240 HydrophobicContact CD1-CB 4.29Å; F156-H240 AromaticContact CD1-CD2 3.85Å; F156-H240 AromaticContact CD1-CE1 3.46Å; F156-H240 VanDerWaalsContact CD1-CE1 3.46Å; F156-H240 WeakPolarHBondContact CD1-CE1 3.36Å; F156-H240 AromaticContact CD1-CG 3.61Å; F156-H240 AromaticContact CD1-ND1 3.35Å; F156-H240 WeakPolarHBondContact CD1-ND1 3.23Å; F156-H240 AromaticContact CD1-NE2 3.76Å; F156-H240 HydrophobicContact CE1-CB 3.91Å; F156-H240 AromaticContact CE1-CD2 3.54Å; F156-H240 AromaticContact CE1-CE1 3.98Å; F156-H240 AromaticContact CE1-CG 3.47Å; F156-H240 VanDerWaalsContact CE1-CG 3.47Å; F156-H240 AromaticContact CE1-ND1 3.76Å; F156-H240 AromaticContact CE1-NE2 3.85Å; F156-H240 HydrophobicContact CE2-CB 4.47Å; F156-H240 AromaticContact CG-ND1 3.88Å; F156-H240 HydrophobicContact CZ-CB 4Å
241	M	78.9	Confident	62.4	Low	55 Å²	55	68.6 Å²	68.6	27%	0.271	36%	0.356	S	S	.	.			trans	-144.6	114.3	172.1	-170.6	168.1	78	0	0	107.4	L46 Y228 Y229 L231	L46-M241 HydrophobicContact CD1-CE 4.21Å; L46-M241 HydrophobicContact CD1-SD 3.98Å; L46-M241 HydrophobicContact CD2-SD 4.44Å; Y228-M241 CarbonylContact C-O 3.31Å; Y228-M241 VanDerWaalsContact CA-O 3.28Å; Y228-M241 WeakPolarHBondContact CA-O 3.32Å; Y229-M241 HydrophobicContact CD1-CE 4.16Å; Y229-M241 HydrophobicContact CD2-CB 4.25Å; Y229-M241 HydrophobicContact CD2-CE 3.34Å; Y229-M241 HydrophobicContact CD2-CG 3.98Å; Y229-M241 HydrophobicContact CD2-SD 4.48Å; Y229-M241 HydrophobicContact CE2-CE 3.8Å; Y229-M241 HydrophobicContact CE2-CG 4.49Å; Y229-M241 HydrophobicContact CG-CE 3.54Å; Y229-M241 PolarHBondContact N-O 2.75Å; L231-M241 HydrophobicContact CD2-CB 4.49Å; L231-M241 HydrophobicContact CD2-CE 4.46Å
242	S	81.8	Confident	59.6	Low	21 Å²	21	76.2 Å²	76.2	15%	0.147	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-74.7	157	176.9	61	0	0	0	0	110.6	W227	W227-S242 CarbonylContact O-C 3.37Å; W227-S242 WeakPolarHBondContact O-CA 3.41Å
243	V	77.7	Confident	56.9	Low	19 Å²	19	82.7 Å²	82.7	12%	0.115	43%	0.428	C	S	.	.			trans	-93.5	115.2	164.4	-169	0	0	0	0	106.6	Q51 W227 Y229 T245	Q51-V243 HydrophobicContact CG-CG2 4.24Å; W227-V243 HydrophobicContact CB-CB 3.76Å; W227-V243 HydrophobicContact CB-CG2 3.61Å; W227-V243 PolarHBondContact O-N 2.57Å; Y229-V243 HydrophobicContact CD2-CG2 3.87Å; Y229-V243 HydrophobicContact CE2-CB 4.21Å; Y229-V243 HydrophobicContact CE2-CG1 4.48Å; Y229-V243 HydrophobicContact CE2-CG2 3.59Å; Y229-V243 HydrophobicContact CG-CG2 4.47Å; V243-T245 PolarHBondContact O-N 3.05Å; V243-T245 PolarHBondContact O-OG1 3.1Å
244	S	59.9	Low	54.5	Low	66 Å²	66	84.5 Å²	84.5	46%	0.462	44%	0.444	S	S	.	.			trans	-57.7	99.9	172	36.6	0	0	0	0	109.8	M535	S244-M535 PolarHBondContact OG-SD 3.05Å
245	T	43.4	Very low	52.2	Low	96 Å²	96	90.6 Å²	90.6	59%	0.589	47%	0.471	S	S	*	.			trans	-97.3	116.3	172.2	-45	0	0	0	0	106.2	V243	V243-T245 PolarHBondContact O-N 3.05Å; V243-T245 PolarHBondContact O-OG1 3.1Å
246	I	28.5	Very low	49.9	Very low	75 Å²	75	98.3 Å²	98.3	39%	0.385	51%	0.505	S	S	.	.			trans	-63	132.3	-169.1	-56.7	112.9	0	0	0	110.1	R248 K370 T529	I246-R248 PolarHBondContact O-N 3.47Å; I246-R248 VanDerWaalsContact O-N 3.15Å; I246-K370 HydrophobicContact CD1-CD 3.68Å; I246-K370 HydrophobicContact CD1-CG 4.15Å; I246-K370 HydrophobicContact CG1-CD 4.03Å; I246-K370 VanDerWaalsContact CG1-CE 3.47Å; I246-K370 VanDerWaalsContact CG2-CE 3.42Å; I246-T529 HydrophobicContact CB-CG2 4.12Å; I246-T529 HydrophobicContact CD1-CG2 4.23Å; I246-T529 HydrophobicContact CG2-CG2 4.31Å
247	P	28.3	Very low	47.3	Very low	87 Å²	87	107 Å²	107	57%	0.565	55%	0.545	S	S	*	.			trans	-65.5	113.6	166.8	28.4	-32.7	0	0	0	108.7	F249	P247-F249 PolarHBondContact O-N 2.78Å; P247-F249 VanDerWaalsContact O-N 3.13Å
248	R	25.6	Very low	44.9	Very low	146 Å²	146	113.6 Å²	113.6	55%	0.551	58%	0.581	S	S	*	*			trans	-64.2	112.8	165.8	-74.6	-176.9	174.1	151.4	3.1	107.9	I246 S250 T528 T529	I246-R248 PolarHBondContact O-N 3.47Å; I246-R248 VanDerWaalsContact O-N 3.15Å; R248-S250 PolarHBondContact O-N 2.82Å; R248-T528 WeakPolarHBondContact CD-O 3.41Å; R248-T528 PolarHBondContact NE-O 3.18Å; R248-T529 HydrophobicContact CG-CG2 4.38Å
249	F	24.8	Very low	42.5	Very low	200 Å²	200	114.6 Å²	114.6	88%	0.877	59%	0.589	S	S	*	*			trans	-69	97.2	170	-84.3	-88.4	0	0	0	109.1	P247	P247-F249 PolarHBondContact O-N 2.78Å; P247-F249 VanDerWaalsContact O-N 3.13Å
250	S	24.7	Very low	40.3	Very low	105 Å²	105	115.1 Å²	115.1	73%	0.734	61%	0.608	S	S	*	*			trans	-101.8	102.9	170.1	56.5	0	0	0	0	109.7	R248	R248-S250 PolarHBondContact O-N 2.82Å
251	K	24	Very low	37.9	Very low	182 Å²	182	122.5 Å²	122.5	79%	0.791	65%	0.646	S	S	*	*			trans	45.9	119.3	166.2	-66.2	-175.9	173.3	-172.2	0	118.2
252	L	28.1	Very low	35.7	Very low	160 Å²	160	123 Å²	123	84%	0.838	67%	0.666	S	S	*	*				-145.8	126.9	128.4	-151.8	68.8	0	0	0	110.4
253	D	23.6	Very low	33.3	Very low	145 Å²	145	127.1 Å²	127.1	78%	0.775	69%	0.694	S	S	*	*			trans	-99.8	110.8	169.6	-62.7	-75.7	0	0	0	108.7
254	T	31.8	Very low	31.3	Very low	112 Å²	112	136.4 Å²	136.4	69%	0.687	73%	0.733	S	S	*	*			trans	-164.1	119.7	158.7	38.3	0	0	0	0	106.2
255	H	27.5	Very low	29.9	Very low	184 Å²	184	142.9 Å²	142.9	85%	0.852	75%	0.753	S	S	*	*				65.7	148.3	65.5	-83.6	-88.8	0	0	0	114.9
256	E	31.1	Very low	29.5	Very low	181 Å²	181	144.2 Å²	144.2	85%	0.846	77%	0.766	S	S	*	*			trans	72.9	101.6	-174.2	-55.4	-176.5	174.3	0	0	113.1
257	E	26.7	Very low	29.6	Very low	182 Å²	182	144.1 Å²	144.1	85%	0.85	78%	0.784	S	S	*	*				71.1	86	68.3	-66.5	-151.3	146.3	0	0	114.4
258	I	33.1	Very low	30	Very low	177 Å²	177	145.4 Å²	145.4	91%	0.908	80%	0.795	S	S	*	*			trans	-114.7	110.8	146.9	-61.3	-179.3	0	0	0	107.5
259	S	29.6	Very low	30.3	Very low	95 Å²	95	146 Å²	146	66%	0.664	81%	0.809	S	S	*	*			trans	-94.6	174.4	-178.9	63.7	0	0	0	0	112
260	S	32.5	Very low	30.9	Very low	109 Å²	109	142.4 Å²	142.4	76%	0.762	81%	0.809	S	S	*	*			trans	81.1	154.4	175.8	84.5	0	0	0	0	117.4
261	I	35.1	Very low	31.4	Very low	176 Å²	176	145 Å²	145	90%	0.903	81%	0.813	S	S	*	*			trans	63.9	109.8	-167.7	-44.7	174	0	0	0	113.5
262	G	31.2	Very low	31.8	Very low	66 Å²	66	142.4 Å²	142.4	68%	0.68	81%	0.814	S	S	*	*			cis	176.2	117.4	-6	0	0	0	0	0	113.3
263	S	32.8	Very low	31.9	Very low	106 Å²	106	140 Å²	140	74%	0.741	81%	0.811	S	S	*	*			trans	26.9	102.2	156.7	175.9	0	0	0	0	119.9
264	F	34.5	Very low	32.5	Very low	214 Å²	214	139.3 Å²	139.3	94%	0.939	81%	0.812	S	S	*	*			trans	-145.3	145.2	132.7	-87.3	-69.4	0	0	0	110.6
265	K	30.2	Very low	32.6	Very low	202 Å²	202	141.5 Å²	141.5	88%	0.878	82%	0.818	S	S	*	*			trans	-118.5	145.2	-177.6	-64.3	177.3	178.5	177.5	0	110.6
266	S	35.1	Very low	32.8	Very low	124 Å²	124	138 Å²	138	87%	0.867	81%	0.81	S	S	*	*				153.3	125.3	122.3	-170.2	0	0	0	0	113.8
267	G	31.3	Very low	32.7	Very low	73 Å²	73	136.1 Å²	136.1	75%	0.753	81%	0.806	S	S	*	*			trans	67.4	156.5	158.3	0	0	0	0	0	118.7
268	S	36.2	Very low	32.9	Very low	114 Å²	114	134.4 Å²	134.4	80%	0.797	81%	0.807	S	S	*	*			cis	-162.9	136.3	-15.9	54.9	0	0	0	0	111.7
269	N	32.9	Very low	32.5	Very low	160 Å²	160	132.8 Å²	132.8	86%	0.856	80%	0.798	S	S	*	*			trans	-1.2	127.8	163.8	-49.2	-10.1	0	0	0	119.8
270	S	36.7	Very low	32.6	Very low	123 Å²	123	135.9 Å²	135.9	86%	0.86	81%	0.805	S	S	*	*				-169.5	151.8	119.5	31.9	0	0	0	0	113
271	I	36.4	Very low	32.1	Very low	159 Å²	159	138.2 Å²	138.2	82%	0.815	80%	0.801	S	S	*	*			trans	-136.4	136.2	-172.9	-75	167.6	0	0	0	105
272	P	32.5	Very low	31.9	Very low	128 Å²	128	134.6 Å²	134.6	83%	0.831	79%	0.792	S	S	*	*				-151.1	163.8	97.9	38.8	-19.5	0	0	0	117.5
273	S	28.3	Very low	31.7	Very low	110 Å²	110	140 Å²	140	77%	0.769	80%	0.8	S	S	*	*			trans	-108.4	139.8	178.4	48	0	0	0	0	113
274	T	36.4	Very low	31.6	Very low	130 Å²	130	140 Å²	140	80%	0.798	80%	0.8	S	S	*	*			trans	-149.2	150.3	167.9	51.6	0	0	0	0	109
275	I	34.1	Very low	31.3	Very low	159 Å²	159	138.9 Å²	138.9	82%	0.815	79%	0.794	S	S	*	*			cis	-140.4	159.4	-11	-129.4	168.1	0	0	0	110.3
276	T	32	Very low	31	Very low	110 Å²	110	133.7 Å²	133.7	68%	0.675	78%	0.784	S	S	*	*			trans	-84.8	152.9	-172	34.8	0	0	0	0	116.2
277	N	29.5	Very low	30.8	Very low	142 Å²	142	133.8 Å²	133.8	76%	0.759	78%	0.779	S	S	*	*			trans	62	117.6	143.4	-58.1	-11	0	0	0	121.1
278	V	30.6	Very low	30.6	Very low	145 Å²	145	137.1 Å²	137.1	88%	0.879	78%	0.779	S	S	*	*				-127.5	128.5	120.1	177.8	0	0	0	0	107.9
279	M	25	Very low	30.1	Very low	144 Å²	144	137.3 Å²	137.3	71%	0.709	78%	0.781	S	S	*	*			trans	-120.5	126.8	-179.5	179.9	-177	82.5	0	0	109.4	K281	M279-K281 HydrophobicContact SD-CG 4.45Å
280	I	31.1	Very low	29.9	Very low	159 Å²	159	134 Å²	134	82%	0.815	77%	0.77	S	S	*	*			trans	-126.6	107.5	165.2	-59.2	-177.5	0	0	0	108.2
281	K	23.1	Very low	29.4	Very low	158 Å²	158	135.8 Å²	135.8	69%	0.687	77%	0.769	S	S	*	*			trans	-97.9	136.9	166.5	-80.4	-174.1	172.5	-172.6	0	109.3	M279	M279-K281 HydrophobicContact SD-CG 4.45Å
282	S	30.2	Very low	28.9	Very low	101 Å²	101	134.4 Å²	134.4	71%	0.706	76%	0.763	S	S	*	*			trans	170.6	108.5	140.9	29.5	0	0	0	0	106.9
283	E	26	Very low	28.7	Very low	180 Å²	180	135.3 Å²	135.3	84%	0.841	76%	0.76	S	S	*	*				69.9	87.1	78	-70.9	176.1	-149.8	0	0	113.4
284	S	31.8	Very low	28.6	Very low	106 Å²	106	136.2 Å²	136.2	74%	0.741	76%	0.757	S	S	*	*			trans	-153.6	109.4	150.4	42.1	0	0	0	0	111.8
285	F	27.9	Very low	28.2	Very low	189 Å²	189	134.6 Å²	134.6	83%	0.829	74%	0.743	S	S	*	*			trans	35.5	100.6	146.5	-58.3	-78.8	0	0	0	120.4
286	S	25	Very low	28	Very low	93 Å²	93	135 Å²	135	65%	0.65	75%	0.747	S	S	*	*				19.9	126.3	116.9	60	0	0	0	0	119.2
287	T	29	Very low	27.7	Very low	127 Å²	127	138.9 Å²	138.9	78%	0.779	75%	0.749	S	S	*	*				-173.8	146.6	117.7	20.3	0	0	0	0	112.7
288	L	27.9	Very low	27.6	Very low	142 Å²	142	139.6 Å²	139.6	74%	0.743	75%	0.753	S	S	*	*			trans	42.1	130.3	143.6	-54.6	167.8	0	0	0	120
289	S	26.8	Very low	27.5	Very low	119 Å²	119	139.7 Å²	139.7	83%	0.832	75%	0.747	S	S	*	*			cis	73.7	54.8	43.2	-47.5	0	0	0	0	115.5
290	S	28.4	Very low	27.6	Very low	90 Å²	90	137.7 Å²	137.7	63%	0.629	75%	0.745	S	S	*	*			trans	-155.6	140.4	158.8	49.9	0	0	0	0	108
291	L	25.3	Very low	27.3	Very low	160 Å²	160	135.7 Å²	135.7	84%	0.838	75%	0.745	S	S	*	*			cis	59.7	58	31.9	-66.3	-177.9	0	0	0	114.9
292	N	26.1	Very low	27.7	Very low	130 Å²	130	133.4 Å²	133.4	70%	0.695	74%	0.74	S	S	*	*			trans	-130.9	128.7	148.9	-81.7	-17.1	0	0	0	106.8	N294	N292-N294 WeakPolarHBondContact CB-O 3.25Å
293	L	28.9	Very low	28.1	Very low	148 Å²	148	132.2 Å²	132.2	78%	0.775	73%	0.729	S	S	*	*			cis	57.4	82.6	5.8	-97.5	162.4	0	0	0	113.1
294	N	26.5	Very low	28.9	Very low	129 Å²	129	125 Å²	125	69%	0.69	70%	0.703	S	S	*	*			trans	64.4	111.4	-173.4	-48.3	-22.3	0	0	0	111.8	N292	N292-N294 WeakPolarHBondContact CB-O 3.25Å
295	D	28.1	Very low	30	Very low	96 Å²	96	123 Å²	123	51%	0.513	68%	0.681	S	S	.	*				-156.2	126.7	65.2	-119.6	-30.6	0	0	0	112.6	R297	D295-R297 WeakPolarHBondContact OD1-CG 3.41Å; D295-R297 IonicContact OD1-CZ 3.83Å; D295-R297 IonicContact OD1-NE 3.63Å; D295-R297 PolarHBondContact OD1-NE 3.41Å; D295-R297 IonicContact OD1-NH2 3.62Å; D295-R297 IonicContact OD2-CZ 3.64Å; D295-R297 IonicContact OD2-NE 3.81Å; D295-R297 PolarHBondContact OD2-NE 3.37Å; D295-R297 IonicContact OD2-NH2 2.71Å; D295-R297 PolarHBondContact OD2-NH2 2.81Å
296	N	29.5	Very low	32	Very low	167 Å²	167	117 Å²	117	89%	0.893	66%	0.657	S	S	*	*			trans	-161.5	89.8	150.2	-105.3	-46.5	0	0	0	105.7
297	R	26.1	Very low	34.5	Very low	192 Å²	192	118.1 Å²	118.1	73%	0.725	65%	0.647	S	S	*	*			trans	-70.1	154	-170.6	-53.8	178.1	-168.4	177.2	5.3	109.4	D295	D295-R297 WeakPolarHBondContact OD1-CG 3.41Å; D295-R297 IonicContact OD1-CZ 3.83Å; D295-R297 IonicContact OD1-NE 3.63Å; D295-R297 PolarHBondContact OD1-NE 3.41Å; D295-R297 IonicContact OD1-NH2 3.62Å; D295-R297 IonicContact OD2-CZ 3.64Å; D295-R297 IonicContact OD2-NE 3.81Å; D295-R297 PolarHBondContact OD2-NE 3.37Å; D295-R297 IonicContact OD2-NH2 2.71Å; D295-R297 PolarHBondContact OD2-NH2 2.81Å
298	N	25.8	Very low	36.9	Very low	157 Å²	157	117.4 Å²	117.4	84%	0.84	63%	0.633	S	S	*	*	S	Bend	trans	81	56	175.8	-45.8	-17.5	0	0	0	117.2
299	L	28.3	Very low	39.8	Very low	146 Å²	146	116.4 Å²	116.4	76%	0.764	62%	0.623	S	S	*	*	S	Bend	trans	-152.7	145.8	146.1	-142.8	62.7	0	0	0	111.2
300	P	27.7	Very low	42.6	Very low	102 Å²	102	111.6 Å²	111.6	66%	0.662	59%	0.588	S	S	*	*			trans	-66.8	134.6	-173.9	-23.6	35.6	0	0	0	114.1	L302	P300-L302 HydrophobicContact CB-CD1 4.37Å; P300-L302 PolarHBondContact O-N 3.31Å
301	S	25.9	Very low	45.5	Very low	117 Å²	117	110.7 Å²	110.7	82%	0.818	58%	0.578	S	S	*	*			trans	-85	85.9	178.1	58.6	0	0	0	0	112
302	L	30.8	Very low	48.6	Very low	110 Å²	110	103 Å²	103	58%	0.576	54%	0.538	S	S	*	.			trans	-73.5	134.6	166.7	-84.8	88.3	0	0	0	111.3	P300 Q334	P300-L302 HydrophobicContact CB-CD1 4.37Å; P300-L302 PolarHBondContact O-N 3.31Å; L302-Q334 VanDerWaalsContact CD2-OE1 3.23Å
303	T	39.2	Very low	51.6	Low	77 Å²	77	99.5 Å²	99.5	47%	0.472	52%	0.522	S	S	.	.	S	Bend	trans	-81	149.4	-171.4	48.7	0	0	0	0	113.4
304	G	42.2	Very low	54.3	Low	29 Å²	29	99.2 Å²	99.2	30%	0.299	51%	0.511	S	S	.	.	S	Bend	trans	106.8	5.5	165.1	0	0	0	0	0	116.6	D426	G304-D426 VanDerWaalsContact C-CB 3.46Å; G304-D426 WeakPolarHBondContact O-CB 3.3Å; G304-D426 PolarHBondContact O-N 2.99Å
305	F	55.1	Low	56.9	Low	63 Å²	63	94.6 Å²	94.6	28%	0.276	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	131.1	180	-71.2	-84.4	0	0	0	113.4	F335 C423 L424 P425	F305-F335 HydrophobicContact CB-CE1 3.87Å; F305-F335 AromaticContact CD2-CE1 3.79Å; F305-F335 HydrophobicContact CD2-CE1 3.79Å; F305-F335 AromaticContact CD2-CZ 3.69Å; F305-F335 HydrophobicContact CD2-CZ 3.69Å; F305-F335 HydrophobicContact CE2-CZ 4.1Å; F305-F335 AromaticContact CG-CE1 3.92Å; F305-F335 HydrophobicContact CG-CE1 3.92Å; F305-F335 HydrophobicContact CG-CZ 4.27Å; F305-C423 VanDerWaalsContact CD1-SG 3.58Å; F305-L424 CarbonylContact C-O 3.46Å; F305-L424 VanDerWaalsContact CA-O 3.29Å; F305-L424 WeakPolarHBondContact CA-O 3.21Å; F305-P425 HydrophobicContact CD1-CB 4.35Å; F305-P425 HydrophobicContact CE1-CB 4.06Å
306	I	70.1	Confident	59.3	Low	64 Å²	64	98.7 Å²	98.7	33%	0.328	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	113.5	173	-53.4	178.5	0	0	0	109	K308 L424 D426	I306-K308 HydrophobicContact CG2-CG 4.07Å; I306-L424 HydrophobicContact CB-CB 4.43Å; I306-L424 PolarHBondContact N-O 3.24Å; I306-L424 PolarHBondContact O-N 2.81Å; I306-D426 HydrophobicContact CD1-CB 4.49Å; I306-D426 HydrophobicContact CG1-CB 3.97Å
307	R	76.4	Confident	61.5	Low	115 Å²	115	94.7 Å²	94.7	43%	0.434	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	138	167.5	-55	-173.4	-159.8	-173	8	109.7	Q334 F335 L386 I422	R307-Q334 PolarHBondContact NH2-O 3.3Å; R307-Q334 VanDerWaalsContact NH2-O 3.15Å; R307-F335 PolarHBondContact NH1-O 3.47Å; R307-L386 HydrophobicContact CG-CD1 3.95Å; R307-I422 CarbonylContact C-O 3.59Å; R307-I422 VanDerWaalsContact CA-O 3.28Å; R307-I422 WeakPolarHBondContact CA-O 3.39Å
308	K	80.4	Confident	64.4	Low	113 Å²	113	86.6 Å²	86.6	49%	0.491	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	146.9	173.1	-64.6	-169.6	177.9	-173.5	0	110.5	I306 I422 L424	I306-K308 HydrophobicContact CG2-CG 4.07Å; K308-I422 HydrophobicContact CB-CD1 4.36Å; K308-I422 HydrophobicContact CB-CG1 3.97Å; K308-I422 PolarHBondContact N-O 2.86Å; K308-I422 WeakPolarHBondContact O-CG1 3.32Å; K308-I422 PolarHBondContact O-N 3.37Å; K308-L424 HydrophobicContact CD-CD1 3.9Å; K308-L424 HydrophobicContact CG-CD1 4.27Å
309	K	87.7	Confident	67.4	Low	121 Å²	121	80.9 Å²	80.9	53%	0.526	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.3	171.8	-169.6	164.8	-169.7	171.9	0	108.4	I419 L420 N421	K309-I419 HydrophobicContact CD-CG2 4.21Å; K309-I419 HydrophobicContact CG-CG2 4Å; K309-L420 WeakPolarHBondContact CA-O 3.47Å; K309-N421 WeakPolarHBondContact CD-OD1 3.45Å; K309-N421 WeakPolarHBondContact CE-OD1 3.38Å; K309-N421 WeakPolarHBondContact CG-OD1 3.43Å
310	I	86.8	Confident	70.2	Confident	18 Å²	18	74.6 Å²	74.6	9%	0.092	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.2	-173.4	-72	-176.8	0	0	0	108.3	I312 V377 L379 I419 L420 I422	I310-I312 HydrophobicContact CG2-CD1 4.4Å; I310-I312 HydrophobicContact CG2-CG1 3.85Å; I310-V377 HydrophobicContact CG2-CG1 3.8Å; I310-L379 HydrophobicContact CD1-CD1 4.04Å; I310-L379 HydrophobicContact CG2-CD1 4.17Å; I310-I419 CarbonylContact O-C 3.39Å; I310-I419 WeakPolarHBondContact O-CA 2.98Å; I310-L420 PolarHBondContact N-O 2.89Å; I310-L420 PolarHBondContact O-N 2.79Å; I310-I422 HydrophobicContact CD1-CD1 3.62Å; I310-I422 HydrophobicContact CD1-CG1 4.24Å; I310-I422 HydrophobicContact CG1-CD1 4.47Å
311	T	89.6	Confident	73.1	Confident	70 Å²	70	71 Å²	71	43%	0.429	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	111.1	179.6	-55.9	0	0	0	0	109.4	A417 I419	T311-A417 HydrophobicContact CG2-CB 4.13Å; T311-I419 HydrophobicContact CG2-CG1 3.92Å
312	I	89.7	Confident	76	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	117.9	-175.1	-52.8	-179.3	0	0	0	108.9	I310 Y319 F321 P373 A374 L379 A417 I418 L420	I310-I312 HydrophobicContact CG2-CD1 4.4Å; I310-I312 HydrophobicContact CG2-CG1 3.85Å; I312-Y319 HydrophobicContact CG2-CD1 4.01Å; I312-F321 HydrophobicContact CD1-CD1 4.15Å; I312-F321 HydrophobicContact CD1-CE1 3.78Å; I312-F321 HydrophobicContact CD1-CZ 4.48Å; I312-P373 HydrophobicContact CG2-CB 3.57Å; I312-A374 HydrophobicContact CD1-CB 3.98Å; I312-A374 HydrophobicContact CG2-CB 4.34Å; I312-L379 HydrophobicContact CD1-CD1 4.28Å; I312-L379 HydrophobicContact CD1-CD2 3.94Å; I312-L379 HydrophobicContact CD1-CG 4.5Å; I312-A417 CarbonylContact O-C 3.56Å; I312-A417 VanDerWaalsContact O-CA 3.28Å; I312-A417 WeakPolarHBondContact O-CA 3.17Å; I312-A417 WeakPolarHBondContact O-CB 3.42Å; I312-I418 PolarHBondContact N-O 3.18Å; I312-I418 PolarHBondContact O-N 3Å; I312-L420 HydrophobicContact CD1-CD1 3.58Å; I312-L420 HydrophobicContact CD1-CG 4.36Å
313	P	87.8	Confident	78.7	Confident	56 Å²	56	64.2 Å²	64.2	36%	0.364	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-68.7	162.5	174.5	27.3	-29.5	0	0	0	111.2	Y319 P373	P313-Y319 WeakPolarHBondContact O-CD1 3.49Å; P313-P373 HydrophobicContact CG-CB 4.04Å; P313-P373 WeakPolarHBondContact O-CB 3.41Å; P313-P373 WeakPolarHBondContact O-CG 3.39Å
314	R	85.7	Confident	80.6	Confident	141 Å²	141	63 Å²	63	53%	0.532	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-93	125.3	176.3	178.1	174.7	175	152.7	0.2	110.2	Y319 K416	R314-Y319 HydrophobicContact CB-CE1 3.76Å; R314-Y319 HydrophobicContact CG-CE1 4.25Å; R314-K416 HydrophobicContact CB-CB 4.17Å; R314-K416 WeakPolarHBondContact CB-O 3.32Å
315	S	82.4	Confident	82.4	Confident	32 Å²	32	64.3 Å²	64.3	22%	0.224	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-96.7	170.7	164.6	71.7	0	0	0	0	111.1	S317 G318	S315-S317 PolarHBondContact O-N 3.21Å; S315-S317 PolarHBondContact OG-N 3.03Å; S315-S317 PolarHBondContact OG-OG 2.91Å; S315-G318 PolarHBondContact N-O 3.29Å; S315-G318 WeakPolarHBondContact O-CA 3.31Å; S315-G318 PolarHBondContact O-N 3.38Å; S315-G318 PolarHBondContact OG-N 2.82Å; S315-G318 PolarHBondContact OG-O 2.89Å
316	D	78.2	Confident	83.1	Confident	182 Å²	182	64.8 Å²	64.8	97%	0.973	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-25.4	169.8	-59.2	-48.6	0	0	0	112.3	G318	D316-G318 VanDerWaalsContact C-N 3.26Å; D316-G318 PolarHBondContact O-N 3.33Å
317	S	76.5	Confident	82.8	Confident	83 Å²	83	67.1 Å²	67.1	58%	0.58	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	7.6	169.2	64.6	0	0	0	0	114.5	S315	S315-S317 PolarHBondContact O-N 3.21Å; S315-S317 PolarHBondContact OG-N 3.03Å; S315-S317 PolarHBondContact OG-OG 2.91Å
318	G	85.4	Confident	81.9	Confident	22 Å²	22	63 Å²	63	23%	0.227	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	83.2	-135.1	-176.9	0	0	0	0	0	112.9	S315 D316	S315-G318 PolarHBondContact N-O 3.29Å; S315-G318 WeakPolarHBondContact O-CA 3.31Å; S315-G318 PolarHBondContact O-N 3.38Å; S315-G318 PolarHBondContact OG-N 2.82Å; S315-G318 PolarHBondContact OG-O 2.89Å; D316-G318 VanDerWaalsContact C-N 3.26Å; D316-G318 PolarHBondContact O-N 3.33Å
319	Y	88.8	Confident	80.3	Confident	37 Å²	37	63.2 Å²	63.2	15%	0.145	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112	-15.3	-179	-48.1	-75.6	0	0	0	113.6	I312 P313 R314 F321 S372 A374 A410 K416 I418	I312-Y319 HydrophobicContact CG2-CD1 4.01Å; P313-Y319 WeakPolarHBondContact O-CD1 3.49Å; R314-Y319 HydrophobicContact CB-CE1 3.76Å; R314-Y319 HydrophobicContact CG-CE1 4.25Å; Y319-F321 PolarHBondContact O-N 3.1Å; Y319-S372 WeakPolarHBondContact O-CB 3.35Å; Y319-S372 PolarHBondContact O-OG 3.4Å; Y319-A374 WeakPolarHBondContact O-CB 3.43Å; Y319-A374 PolarHBondContact O-N 2.86Å; Y319-A410 WeakPolarHBondContact OH-CB 3.24Å; Y319-K416 PolarHBondContact OH-O 2.86Å; Y319-K416 VanDerWaalsContact OH-O 3.14Å; Y319-I418 HydrophobicContact CD1-CD1 4.35Å; Y319-I418 HydrophobicContact CD1-CG1 4.48Å; Y319-I418 HydrophobicContact CD2-CD1 3.82Å; Y319-I418 HydrophobicContact CE1-CB 4.42Å; Y319-I418 HydrophobicContact CE1-CD1 3.93Å; Y319-I418 HydrophobicContact CE1-CG1 3.84Å; Y319-I418 HydrophobicContact CE2-CD1 3.34Å; Y319-I418 HydrophobicContact CE2-CG1 4.13Å; Y319-I418 HydrophobicContact CG-CD1 4.32Å; Y319-I418 VanDerWaalsContact CZ-CD1 3.4Å
320	G	86.8	Confident	78.8	Confident	15 Å²	15	63.9 Å²	63.9	16%	0.155	34%	0.343	C	S	.	.			trans	53.7	49	175.5	0	0	0	0	0	116.9	Q369 S372	G320-Q369 VanDerWaalsContact O-CB 3.26Å; G320-Q369 WeakPolarHBondContact O-CB 3.28Å; G320-Q369 PolarHBondContact O-N 3.3Å; G320-S372 VanDerWaalsContact CA-CB 3.42Å; G320-S372 PolarHBondContact O-OG 2.8Å; G320-S372 VanDerWaalsContact O-OG 3.05Å
321	F	89.6	Confident	76.8	Confident	27 Å²	27	64.8 Å²	64.8	12%	0.118	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	156.1	164	69.1	-84.4	0	0	0	111.1	I312 Y319 S367 V368 A374 L379 M406 L420	I312-F321 HydrophobicContact CD1-CD1 4.15Å; I312-F321 HydrophobicContact CD1-CE1 3.78Å; I312-F321 HydrophobicContact CD1-CZ 4.48Å; Y319-F321 PolarHBondContact O-N 3.1Å; F321-S367 WeakPolarHBondContact CA-O 3.41Å; F321-V368 HydrophobicContact CB-CG2 3.91Å; F321-A374 HydrophobicContact CB-CB 3.97Å; F321-A374 HydrophobicContact CD1-CB 3.77Å; F321-A374 HydrophobicContact CG-CB 4.25Å; F321-L379 HydrophobicContact CB-CD2 3.83Å; F321-L379 HydrophobicContact CD1-CD2 3.86Å; F321-L379 HydrophobicContact CD2-CD2 3.75Å; F321-L379 HydrophobicContact CE1-CD2 4.31Å; F321-L379 HydrophobicContact CE2-CD2 4.22Å; F321-L379 HydrophobicContact CG-CD2 3.54Å; F321-L379 HydrophobicContact CZ-CD2 4.47Å; F321-M406 HydrophobicContact CE1-CE 3.99Å; F321-M406 HydrophobicContact CE2-CE 4.22Å; F321-M406 HydrophobicContact CZ-CE 3.41Å; F321-M406 VanDerWaalsContact CZ-CE 3.41Å; F321-M406 HydrophobicContact CZ-SD 4.21Å; F321-L420 HydrophobicContact CE1-CD1 4.19Å; F321-L420 HydrophobicContact CE2-CD1 4.21Å; F321-L420 HydrophobicContact CZ-CD1 3.65Å
322	T	86.2	Confident	75	Confident	61 Å²	61	62.5 Å²	62.5	37%	0.374	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	142.4	176	66.1	0	0	0	0	111	H366 S367	T322-H366 PolarHBondContact O-N 2.89Å; T322-S367 WeakPolarHBondContact CG2-OG 3.07Å; T322-S367 PolarHBondContact N-O 2.91Å; T322-S367 PolarHBondContact OG1-N 3.44Å; T322-S367 PolarHBondContact OG1-OG 2.88Å
323	L	87.3	Confident	72.8	Confident	22 Å²	22	67.4 Å²	67.4	12%	0.115	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.1	-178.6	-168.2	74.7	0	0	0	108.5	F363 R364 I365 L385 L399 V402	L323-F363 HydrophobicContact CD1-CB 4.11Å; L323-F363 HydrophobicContact CD2-CB 4.06Å; L323-F363 HydrophobicContact CD2-CD1 4.46Å; L323-F363 HydrophobicContact CG-CB 4.12Å; L323-R364 WeakPolarHBondContact CA-O 3.29Å; L323-I365 HydrophobicContact CD1-CG1 4.28Å; L323-L385 HydrophobicContact CD1-CB 4.36Å; L323-L385 HydrophobicContact CD1-CD2 4.18Å; L323-L385 HydrophobicContact CD2-CD2 4Å; L323-L399 HydrophobicContact CB-CD1 4.26Å; L323-L399 HydrophobicContact CD2-CD1 3.95Å; L323-L399 HydrophobicContact CG-CD1 4.12Å; L323-V402 HydrophobicContact CD2-CG1 3.68Å
324	T	79.8	Confident	70.6	Confident	52 Å²	52	69.9 Å²	69.9	32%	0.319	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	148.2	174.8	54.5	0	0	0	0	111.2	F363 R364 H366	T324-F363 CarbonylContact O-C 3.57Å; T324-F363 WeakPolarHBondContact O-CA 3.38Å; T324-R364 PolarHBondContact N-O 2.88Å; T324-R364 PolarHBondContact O-N 2.99Å; T324-H366 HydrophobicContact CG2-CB 3.62Å
325	C	79.3	Confident	68.6	Low	56 Å²	56	64 Å²	64	38%	0.378	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	130.2	168.2	-174.3	0	0	0	0	109.1	F363	C325-F363 HydrophobicContact CB-CD1 4.32Å; C325-F363 HydrophobicContact CB-CE1 4.13Å
326	Q	70.7	Confident	66.6	Low	73 Å²	73	63.6 Å²	63.6	34%	0.341	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	131	174.6	-174	179.8	-4.4	0	0	108.8	V328 C362 Y384	Q326-V328 HydrophobicContact CB-CG2 4.47Å; Q326-V328 HydrophobicContact CG-CG2 4.13Å; Q326-C362 PolarHBondContact N-O 3.39Å; Q326-C362 PolarHBondContact O-N 3.37Å; Q326-Y384 PolarHBondContact OE1-OH 3.14Å
327	M	63.5	Low	64.3	Low	114 Å²	114	59.6 Å²	59.6	56%	0.562	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	130	166	-66.5	-60.8	-153.9	0	0	109.1	R361	M327-R361 HydrophobicContact CE-CG 4.11Å; M327-R361 HydrophobicContact SD-CG 3.64Å
328	V	58.2	Low	62.2	Low	28 Å²	28	60.1 Å²	60.1	17%	0.17	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.2	179.6	-162.5	0	0	0	0	109.2	Q326 F330 T359 H360 C362	Q326-V328 HydrophobicContact CB-CG2 4.47Å; Q326-V328 HydrophobicContact CG-CG2 4.13Å; V328-F330 HydrophobicContact CG1-CB 3.84Å; V328-F330 PolarHBondContact O-N 3.39Å; V328-F330 VanDerWaalsContact O-N 3.15Å; V328-T359 CarbonylContact O-C 3.59Å; V328-T359 WeakPolarHBondContact O-CA 3.26Å; V328-H360 PolarHBondContact N-O 3.49Å; V328-H360 PolarHBondContact O-N 2.82Å; V328-C362 HydrophobicContact CG2-CB 3.8Å
329	K	47.2	Very low	59.6	Low	118 Å²	118	64.6 Å²	64.6	51%	0.513	35%	0.35	S	S	.	.	S	Bend	trans	-76.9	20.7	172.3	-70.7	-171.9	171.7	-172.5	0	113.2	V77 T359	V77-K329 HydrophobicContact CG1-CD 3.93Å; K329-T359 HydrophobicContact CG-CG2 4.12Å
330	F	55.4	Low	57	Low	134 Å²	134	70.9 Å²	70.9	59%	0.588	38%	0.384	S	S	*	.	S	Bend	trans	-120.8	129.4	-177.7	-124.1	-90.4	0	0	0	108.3	V328 F332	V328-F330 HydrophobicContact CG1-CB 3.84Å; V328-F330 PolarHBondContact O-N 3.39Å; V328-F330 VanDerWaalsContact O-N 3.15Å; F330-F332 PolarHBondContact O-N 3.05Å
331	D	45.8	Very low	54.5	Low	37 Å²	37	76.1 Å²	76.1	20%	0.198	41%	0.414	C	S	.	.			trans	-77.2	117.9	-179.5	176.3	32.6	0	0	0	111.3	Q333 H360	D331-Q333 WeakPolarHBondContact OD1-CB 3.39Å; D331-Q333 VanDerWaalsContact OD1-CG 3.28Å; D331-Q333 WeakPolarHBondContact OD1-CG 3.31Å; D331-Q333 PolarHBondContact OD1-N 3Å; D331-H360 IonicContact OD1-CE1 3.17Å; D331-H360 PolarHBondContact OD1-CE1 2.63Å; D331-H360 IonicContact OD1-ND1 3.72Å; D331-H360 IonicContact OD1-NE2 2.77Å; D331-H360 PolarHBondContact OD1-NE2 3.3Å
332	F	50	Low	51.6	Low	23 Å²	23	80.5 Å²	80.5	10%	0.101	45%	0.447	C	S	.	.			trans	-93	0.5	174	-82.8	-91.7	0	0	0	113.4	F330 Q334 F335 A336 C362 Y384 L386	F330-F332 PolarHBondContact O-N 3.05Å; F332-Q334 VanDerWaalsContact C-N 3.26Å; F332-Q334 PolarHBondContact O-N 2.78Å; F332-F335 HydrophobicContact CD1-CB 4.41Å; F332-F335 HydrophobicContact CD1-CD2 4.08Å; F332-F335 HydrophobicContact CD1-CG 4.24Å; F332-F335 WeakPolarHBondContact O-CA 3.34Å; F332-F335 VanDerWaalsContact O-CB 3.31Å; F332-F335 WeakPolarHBondContact O-CB 3.19Å; F332-F335 PolarHBondContact O-N 3.29Å; F332-A336 PolarHBondContact O-N 2.94Å; F332-C362 HydrophobicContact CD2-CB 4.45Å; F332-C362 WeakPolarHBondContact CD2-SG 3.39Å; F332-C362 HydrophobicContact CE2-CB 4.47Å; F332-Y384 HydrophobicContact CZ-CD2 4.16Å; F332-Y384 HydrophobicContact CZ-CG 4.2Å; F332-L386 HydrophobicContact CD1-CD2 3.98Å
333	Q	43.4	Very low	49.2	Very low	102 Å²	102	82.3 Å²	82.3	48%	0.477	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-65.2	-29.8	177.9	-66.6	-175.4	-13.1	0	0	112.3	D331 F335 A336	D331-Q333 WeakPolarHBondContact OD1-CB 3.39Å; D331-Q333 VanDerWaalsContact OD1-CG 3.28Å; D331-Q333 WeakPolarHBondContact OD1-CG 3.31Å; D331-Q333 PolarHBondContact OD1-N 3Å; Q333-F335 PolarHBondContact O-N 3.3Å; Q333-A336 PolarHBondContact O-N 2.76Å
334	Q	43.5	Very low	46.7	Very low	108 Å²	108	86.3 Å²	86.3	51%	0.505	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-60	-11.2	167.4	-56.5	-178	45.2	0	0	113.8	L302 R307 F332	L302-Q334 VanDerWaalsContact CD2-OE1 3.23Å; R307-Q334 PolarHBondContact NH2-O 3.3Å; R307-Q334 VanDerWaalsContact NH2-O 3.15Å; F332-Q334 VanDerWaalsContact C-N 3.26Å; F332-Q334 PolarHBondContact O-N 2.78Å
335	F	42.7	Very low	44.7	Very low	17 Å²	17	93 Å²	93	8%	0.075	52%	0.52	C	S	.	.	G	3₁₀ helix	trans	-108.9	-7.1	178.6	-55.5	-103.4	0	0	0	113.6	F305 R307 F332 Q333 L386	F305-F335 HydrophobicContact CB-CE1 3.87Å; F305-F335 AromaticContact CD2-CE1 3.79Å; F305-F335 HydrophobicContact CD2-CE1 3.79Å; F305-F335 AromaticContact CD2-CZ 3.69Å; F305-F335 HydrophobicContact CD2-CZ 3.69Å; F305-F335 HydrophobicContact CE2-CZ 4.1Å; F305-F335 AromaticContact CG-CE1 3.92Å; F305-F335 HydrophobicContact CG-CE1 3.92Å; F305-F335 HydrophobicContact CG-CZ 4.27Å; R307-F335 PolarHBondContact NH1-O 3.47Å; F332-F335 HydrophobicContact CD1-CB 4.41Å; F332-F335 HydrophobicContact CD1-CD2 4.08Å; F332-F335 HydrophobicContact CD1-CG 4.24Å; F332-F335 WeakPolarHBondContact O-CA 3.34Å; F332-F335 VanDerWaalsContact O-CB 3.31Å; F332-F335 WeakPolarHBondContact O-CB 3.19Å; F332-F335 PolarHBondContact O-N 3.29Å; Q333-F335 PolarHBondContact O-N 3.3Å; F335-L386 HydrophobicContact CB-CD1 4.09Å; F335-L386 HydrophobicContact CB-CD2 3.69Å
336	A	39.7	Very low	42.7	Very low	24 Å²	24	99.4 Å²	99.4	20%	0.198	54%	0.541	C	S	.	.	S	Bend	trans	-87.7	135.7	171.4	0	0	0	0	0	110.7	F332 Q333 T338 P392	F332-A336 PolarHBondContact O-N 2.94Å; Q333-A336 PolarHBondContact O-N 2.76Å; A336-T338 PolarHBondContact O-N 2.71Å; A336-P392 HydrophobicContact CB-CB 4.28Å
337	S	31	Very low	41	Very low	99 Å²	99	104 Å²	104	69%	0.692	57%	0.568	S	S	*	*			trans	-80.1	24.8	-168.4	-47	0	0	0	0	115.6
338	T	32.6	Very low	39.8	Very low	94 Å²	94	104 Å²	104	58%	0.577	58%	0.58	S	S	*	*			trans	-98.1	115.1	-177.5	44.2	0	0	0	0	111.3	A336 P392	A336-T338 PolarHBondContact O-N 2.71Å; T338-P392 HydrophobicContact CG2-CG 4.03Å
339	P	30.9	Very low	38.8	Very low	116 Å²	116	107.9 Å²	107.9	75%	0.753	61%	0.608	S	S	*	*			trans	-63.5	136	170.8	-17.8	31.3	0	0	0	110.5	T341	P339-T341 PolarHBondContact O-N 3.45Å; P339-T341 VanDerWaalsContact O-N 3.1Å
340	I	34.1	Very low	38.1	Very low	168 Å²	168	109.4 Å²	109.4	86%	0.862	62%	0.621	S	S	*	*			trans	-73.2	102.8	169.6	-60.4	175.3	0	0	0	107.5	S342	I340-S342 PolarHBondContact O-N 2.91Å; I340-S342 VanDerWaalsContact O-N 3.15Å
341	T	32.9	Very low	37.1	Very low	126 Å²	126	111 Å²	111	77%	0.773	64%	0.635	S	S	*	*			trans	-69.8	107	173	47.6	0	0	0	0	109.7	P339 S343	P339-T341 PolarHBondContact O-N 3.45Å; P339-T341 VanDerWaalsContact O-N 3.1Å; T341-S343 PolarHBondContact O-N 2.89Å
342	S	30.6	Very low	36.4	Very low	118 Å²	118	118.2 Å²	118.2	83%	0.825	67%	0.667	S	S	*	*			trans	-74.1	108.4	-178.7	55.5	0	0	0	0	112.3	I340	I340-S342 PolarHBondContact O-N 2.91Å; I340-S342 VanDerWaalsContact O-N 3.15Å
343	S	35.3	Very low	35.6	Very low	100 Å²	100	125.7 Å²	125.7	70%	0.699	70%	0.702	S	S	*	*			trans	-143.5	87.1	160.4	59.4	0	0	0	0	109	T341	T341-S343 PolarHBondContact O-N 2.89Å
344	S	33.9	Very low	34.9	Very low	105 Å²	105	125 Å²	125	73%	0.734	71%	0.708	S	S	*	*				67.8	73.6	85.7	75.9	0	0	0	0	113.8
345	H	39.1	Very low	34.1	Very low	194 Å²	194	126 Å²	126	90%	0.898	73%	0.726	S	S	*	*			trans	-129.7	131.9	133.8	-105.6	-87.7	0	0	0	108.4
346	K	36.5	Very low	33.7	Very low	189 Å²	189	134.3 Å²	134.3	82%	0.822	76%	0.759	S	S	*	*			trans	-87.4	139.3	169.6	-61.9	174.7	179.9	177.9	0	107.3
347	D	35.7	Very low	33.4	Very low	170 Å²	170	138.7 Å²	138.7	91%	0.909	78%	0.778	S	S	*	*				-153.6	152.8	127.5	-94.3	-36.4	0	0	0	108.4
348	S	37.8	Very low	33.7	Very low	115 Å²	115	137.6 Å²	137.6	80%	0.804	77%	0.768	S	S	*	*			trans	-135.9	114.1	-156.7	57.3	0	0	0	0	113.9
349	S	36.1	Very low	34.3	Very low	108 Å²	108	137.3 Å²	137.3	76%	0.755	77%	0.767	S	S	*	*			trans	-156.8	148.6	158.8	55.7	0	0	0	0	111.7
350	N	32.6	Very low	35.7	Very low	150 Å²	150	132.6 Å²	132.6	80%	0.802	74%	0.735	S	S	*	*			trans	65.7	90	164	-57.3	-0.9	0	0	0	117.3
351	I	34.6	Very low	37.4	Very low	169 Å²	169	128.8 Å²	128.8	87%	0.867	71%	0.709	S	S	*	*			trans	-72	119.1	160.1	-62.8	163.7	0	0	0	108.4
352	E	30.9	Very low	39.4	Very low	187 Å²	187	123.1 Å²	123.1	87%	0.874	68%	0.675	S	S	*	*			trans	170.9	82.9	148	-100.4	173.6	-150.3	0	0	108.1
353	Q	34.5	Very low	42	Very low	181 Å²	181	117.7 Å²	117.7	85%	0.846	64%	0.636	S	S	*	*			trans	-129.6	106.6	-175.4	-77.3	-171.5	-12.6	0	0	113.9
354	C	28.2	Very low	44.4	Very low	88 Å²	88	115.9 Å²	115.9	60%	0.595	61%	0.614	S	S	*	*			trans	50.9	92.3	131.9	-62.8	0	0	0	0	118	Y356	C354-Y356 HydrophobicContact CB-CD2 3.61Å; C354-Y356 HydrophobicContact CB-CE2 3.94Å; C354-Y356 HydrophobicContact CB-CG 4.44Å; C354-Y356 PolarHBondContact O-N 2.91Å
355	S	25.8	Very low	46.9	Very low	127 Å²	127	110.9 Å²	110.9	89%	0.888	58%	0.579	S	S	*	*			trans	-72.3	42.7	164	53.9	0	0	0	0	113.8	L357	S355-L357 PolarHBondContact O-N 2.82Å
356	Y	34.7	Very low	49	Very low	193 Å²	193	107.3 Å²	107.3	76%	0.757	56%	0.563	S	S	*	*			trans	-87.1	88.4	172	-59.5	-49.9	0	0	0	110.1	C354 P358	C354-Y356 HydrophobicContact CB-CD2 3.61Å; C354-Y356 HydrophobicContact CB-CE2 3.94Å; C354-Y356 HydrophobicContact CB-CG 4.44Å; C354-Y356 PolarHBondContact O-N 2.91Å; Y356-P358 WeakPolarHBondContact O-CD 3.34Å; Y356-P358 VanDerWaalsContact O-N 3.16Å
357	L	32.7	Very low	51.3	Low	115 Å²	115	100.6 Å²	100.6	60%	0.602	54%	0.54	S	S	*	.			trans	-52.8	118.7	167.2	-88.5	164.9	0	0	0	109.5	S355	S355-L357 PolarHBondContact O-N 2.82Å
358	P	37.9	Very low	53.6	Low	76 Å²	76	93.8 Å²	93.8	49%	0.494	50%	0.504	S	S	.	.			trans	-64.1	142.5	-175.4	-17.2	28.8	0	0	0	110.7	Y356 H360	Y356-P358 WeakPolarHBondContact O-CD 3.34Å; Y356-P358 VanDerWaalsContact O-N 3.16Å; P358-H360 PolarHBondContact O-CD2 2.83Å; P358-H360 PolarHBondContact O-N 2.97Å; P358-H360 VanDerWaalsContact O-N 3.15Å
359	T	45.4	Very low	55.9	Low	88 Å²	88	93.2 Å²	93.2	54%	0.54	49%	0.489	S	S	.	.			trans	-81.9	93.7	171.9	51.8	0	0	0	0	109.5	V328 K329	V328-T359 CarbonylContact O-C 3.59Å; V328-T359 WeakPolarHBondContact O-CA 3.26Å; K329-T359 HydrophobicContact CG-CG2 4.12Å
360	H	61.2	Low	58.1	Low	18 Å²	18	90.5 Å²	90.5	8%	0.083	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	136.8	179	-64.3	-98.7	0	0	0	110.7	V328 D331 P358 C362 C395	V328-H360 PolarHBondContact N-O 3.49Å; V328-H360 PolarHBondContact O-N 2.82Å; D331-H360 IonicContact OD1-CE1 3.17Å; D331-H360 PolarHBondContact OD1-CE1 2.63Å; D331-H360 IonicContact OD1-ND1 3.72Å; D331-H360 IonicContact OD1-NE2 2.77Å; D331-H360 PolarHBondContact OD1-NE2 3.3Å; P358-H360 PolarHBondContact O-CD2 2.83Å; P358-H360 PolarHBondContact O-N 2.97Å; P358-H360 VanDerWaalsContact O-N 3.15Å; H360-C362 PolarHBondContact O-N 2.85Å; H360-C395 HydrophobicContact CB-CB 4Å; H360-C395 PolarHBondContact ND1-SG 3.17Å
361	R	68.9	Low	60.7	Low	87 Å²	87	86.1 Å²	86.1	33%	0.328	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	127	165	-64.6	176.3	-175.2	156.4	6.1	108.9	M327 C395 T396 L397	M327-R361 HydrophobicContact CE-CG 4.11Å; M327-R361 HydrophobicContact SD-CG 3.64Å; R361-C395 WeakPolarHBondContact CB-O 3.4Å; R361-T396 PolarHBondContact NH1-O 3.16Å; R361-L397 WeakPolarHBondContact CD-O 3.45Å; R361-L397 PolarHBondContact NH1-O 3.31Å
362	C	76.2	Confident	63.2	Low	7 Å²	7	78.1 Å²	78.1	5%	0.047	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	139.4	177	-55.5	0	0	0	0	109.1	Q326 V328 F332 H360 Y384	Q326-C362 PolarHBondContact N-O 3.39Å; Q326-C362 PolarHBondContact O-N 3.37Å; V328-C362 HydrophobicContact CG2-CB 3.8Å; F332-C362 HydrophobicContact CD2-CB 4.45Å; F332-C362 WeakPolarHBondContact CD2-SG 3.39Å; F332-C362 HydrophobicContact CE2-CB 4.47Å; H360-C362 PolarHBondContact O-N 2.85Å; C362-Y384 HydrophobicContact CB-CD1 3.99Å; C362-Y384 HydrophobicContact CB-CE1 4.24Å
363	F	84.5	Confident	65.9	Low	4 Å²	4	69.5 Å²	69.5	2%	0.018	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.6	-178.1	-59.5	-79.4	0	0	0	109.7	L323 T324 C325 Y384 L385 L393 L397 L399 V402	L323-F363 HydrophobicContact CD1-CB 4.11Å; L323-F363 HydrophobicContact CD2-CB 4.06Å; L323-F363 HydrophobicContact CD2-CD1 4.46Å; L323-F363 HydrophobicContact CG-CB 4.12Å; T324-F363 CarbonylContact O-C 3.57Å; T324-F363 WeakPolarHBondContact O-CA 3.38Å; C325-F363 HydrophobicContact CB-CD1 4.32Å; C325-F363 HydrophobicContact CB-CE1 4.13Å; F363-Y384 CarbonylContact O-C 3.58Å; F363-Y384 VanDerWaalsContact O-CA 3.3Å; F363-Y384 WeakPolarHBondContact O-CA 3.43Å; F363-L385 HydrophobicContact CB-CB 4.25Å; F363-L385 PolarHBondContact O-N 3.47Å; F363-L393 HydrophobicContact CD2-CD1 3.99Å; F363-L397 HydrophobicContact CE2-CB 4.41Å; F363-L397 HydrophobicContact CZ-CB 4.34Å; F363-L399 HydrophobicContact CD1-CD1 3.95Å; F363-L399 HydrophobicContact CE1-CB 4.3Å; F363-L399 HydrophobicContact CE1-CD1 4.24Å; F363-V402 HydrophobicContact CD1-CG2 4.09Å; F363-V402 HydrophobicContact CD2-CG2 3.84Å; F363-V402 HydrophobicContact CE1-CB 4.48Å; F363-V402 HydrophobicContact CE1-CG2 3.78Å; F363-V402 HydrophobicContact CE2-CG2 3.53Å; F363-V402 HydrophobicContact CG-CG2 4.12Å; F363-V402 HydrophobicContact CZ-CG2 3.49Å; F363-V402 VanDerWaalsContact CZ-CG2 3.49Å
364	R	85.1	Confident	68.5	Low	62 Å²	62	60.9 Å²	60.9	23%	0.234	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134	-171.4	-164.2	-176.8	-174.2	-161.2	-2.6	111.2	L323 T324 H366 G382 A383 Y384	L323-R364 WeakPolarHBondContact CA-O 3.29Å; T324-R364 PolarHBondContact N-O 2.88Å; T324-R364 PolarHBondContact O-N 2.99Å; R364-H366 PolarHBondContact O-N 2.88Å; R364-G382 PolarHBondContact NE-O 3.35Å; R364-G382 PolarHBondContact NH2-O 3.11Å; R364-A383 WeakPolarHBondContact CA-O 3.44Å; R364-A383 WeakPolarHBondContact CG-O 3.05Å; R364-Y384 HydrophobicContact CB-CD1 3.87Å; R364-Y384 HydrophobicContact CB-CE1 3.78Å; R364-Y384 HydrophobicContact CG-CD1 3.97Å; R364-Y384 HydrophobicContact CG-CE1 3.76Å; R364-Y384 HydrophobicContact CG-CG 4.49Å
365	I	86.3	Confident	71.3	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	112.6	174.6	-63.6	147.6	0	0	0	107.5	L323 V368 L379 G382 A383 I422	L323-I365 HydrophobicContact CD1-CG1 4.28Å; I365-V368 HydrophobicContact CG2-CG2 3.82Å; I365-L379 HydrophobicContact CD1-CD1 3.7Å; I365-L379 HydrophobicContact CD1-CD2 4.12Å; I365-L379 HydrophobicContact CD1-CG 3.88Å; I365-L379 HydrophobicContact CG1-CD2 4.23Å; I365-L379 HydrophobicContact CG1-CG 4.47Å; I365-L379 HydrophobicContact CG2-CD2 4.04Å; I365-L379 HydrophobicContact CG2-CG 4.31Å; I365-G382 WeakPolarHBondContact O-CA 3.45Å; I365-G382 PolarHBondContact O-N 3.26Å; I365-A383 HydrophobicContact CD1-CB 4.14Å; I365-A383 PolarHBondContact N-O 3.17Å; I365-I422 HydrophobicContact CD1-CG2 3.96Å
366	H	83.3	Confident	74.2	Confident	119 Å²	119	56 Å²	56	55%	0.551	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	-41.6	-169.1	174.7	76.5	0	0	0	112.6	T322 T324 R364 V381	T322-H366 PolarHBondContact O-N 2.89Å; T324-H366 HydrophobicContact CG2-CB 3.62Å; R364-H366 PolarHBondContact O-N 2.88Å; H366-V381 VanDerWaalsContact O-CG1 3.31Å; H366-V381 WeakPolarHBondContact O-CG1 3.47Å
367	S	85.5	Confident	76.7	Confident	48 Å²	48	49.9 Å²	49.9	34%	0.336	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	159.1	168.8	69.2	0	0	0	0	110.1	F321 T322	F321-S367 WeakPolarHBondContact CA-O 3.41Å; T322-S367 WeakPolarHBondContact CG2-OG 3.07Å; T322-S367 PolarHBondContact N-O 2.91Å; T322-S367 PolarHBondContact OG1-N 3.44Å; T322-S367 PolarHBondContact OG1-OG 2.88Å
368	V	84.4	Confident	79.2	Confident	27 Å²	27	46.4 Å²	46.4	16%	0.164	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.2	169.6	172.7	0	0	0	0	106.5	F321 I365 A374 D375 L379 V381	F321-V368 HydrophobicContact CB-CG2 3.91Å; I365-V368 HydrophobicContact CG2-CG2 3.82Å; V368-A374 HydrophobicContact CG1-CB 3.92Å; V368-D375 HydrophobicContact CG1-CB 3.67Å; V368-L379 HydrophobicContact CG2-CB 4.19Å; V368-L379 HydrophobicContact CG2-CD2 4.05Å; V368-L379 HydrophobicContact CG2-CG 4.29Å; V368-V381 HydrophobicContact CB-CG2 3.98Å; V368-V381 HydrophobicContact CG2-CG2 3.83Å
369	Q	84.8	Confident	81.5	Confident	103 Å²	103	43.1 Å²	43.1	48%	0.481	23%	0.227	S	C	.	.			trans	-85.1	135	179.6	-179.9	177.3	-15.8	0	0	109.6	G320 S372 D375	G320-Q369 VanDerWaalsContact O-CB 3.26Å; G320-Q369 WeakPolarHBondContact O-CB 3.28Å; G320-Q369 PolarHBondContact O-N 3.3Å; Q369-S372 WeakPolarHBondContact O-CB 3.34Å; Q369-S372 PolarHBondContact O-N 3.41Å; Q369-S372 PolarHBondContact O-OG 3.2Å; Q369-D375 WeakPolarHBondContact O-CB 3.43Å
370	K	83.3	Confident	83.2	Confident	50 Å²	50	40.6 Å²	40.6	22%	0.217	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	133.1	179.2	-139	-169.3	156.8	-141.2	0	110.9	I246 S372 D375 T529 T530 A531 G532	I246-K370 HydrophobicContact CD1-CD 3.68Å; I246-K370 HydrophobicContact CD1-CG 4.15Å; I246-K370 HydrophobicContact CG1-CD 4.03Å; I246-K370 VanDerWaalsContact CG1-CE 3.47Å; I246-K370 VanDerWaalsContact CG2-CE 3.42Å; K370-S372 PolarHBondContact O-N 2.77Å; K370-D375 WeakPolarHBondContact CA-OD2 3.47Å; K370-T529 HydrophobicContact CG-CG2 4.23Å; K370-T530 WeakPolarHBondContact CD-O 3.4Å; K370-T530 VanDerWaalsContact CE-C 3.44Å; K370-T530 WeakPolarHBondContact CE-O 3.37Å; K370-T530 VanDerWaalsContact CG-C 3.47Å; K370-T530 PolarHBondContact NZ-O 2.85Å; K370-A531 WeakPolarHBondContact CD-O 3.43Å; K370-A531 CarbonylContact O-C 3.31Å; K370-A531 VanDerWaalsContact O-C 3.31Å; K370-A531 WeakPolarHBondContact O-CA 3.42Å; K370-G532 PolarHBondContact O-N 3.29Å
371	D	86.4	Confident	84.4	Confident	59 Å²	59	42.8 Å²	42.8	32%	0.316	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	37	52.4	-160.4	-63.7	-29.9	0	0	0	112.6	T529 T530 A531	D371-T529 PolarHBondContact N-O 3.42Å; D371-T529 VanDerWaalsContact N-O 3.08Å; D371-T530 VanDerWaalsContact CG-N 3.26Å; D371-T530 WeakPolarHBondContact OD1-CG2 3.41Å; D371-T530 PolarHBondContact OD1-N 3.22Å; D371-T530 VanDerWaalsContact OD2-C 3.31Å; D371-T530 WeakPolarHBondContact OD2-CG2 3.2Å; D371-A531 HydrophobicContact CB-CB 4.17Å; D371-A531 VanDerWaalsContact CB-N 3.3Å; D371-A531 WeakPolarHBondContact OD2-CA 3.5Å; D371-A531 VanDerWaalsContact OD2-CB 3.27Å; D371-A531 WeakPolarHBondContact OD2-CB 3.42Å; D371-A531 PolarHBondContact OD2-N 3.11Å
372	S	88.3	Confident	84.8	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.007	22%	0.215	C	C	.	.	S	Bend	trans	-95.1	157.6	145.9	68.2	0	0	0	0	109.1	Y319 G320 Q369 K370 A374 D375 E376	Y319-S372 WeakPolarHBondContact O-CB 3.35Å; Y319-S372 PolarHBondContact O-OG 3.4Å; G320-S372 VanDerWaalsContact CA-CB 3.42Å; G320-S372 PolarHBondContact O-OG 2.8Å; G320-S372 VanDerWaalsContact O-OG 3.05Å; Q369-S372 WeakPolarHBondContact O-CB 3.34Å; Q369-S372 PolarHBondContact O-N 3.41Å; Q369-S372 PolarHBondContact O-OG 3.2Å; K370-S372 PolarHBondContact O-N 2.77Å; S372-A374 PolarHBondContact O-N 2.94Å; S372-A374 PolarHBondContact OG-N 2.85Å; S372-D375 PolarHBondContact O-N 2.8Å; S372-D375 PolarHBondContact OG-N 3.28Å; S372-E376 PolarHBondContact O-N 2.87Å
373	P	87.5	Confident	85.1	Confident	6 Å²	6	38.8 Å²	38.8	4%	0.039	21%	0.213	C	C	.	.	H	α-helix	trans	-49.7	-28.9	166.7	-33.5	39.9	0	0	0	114.5	I312 P313 V377	I312-P373 HydrophobicContact CG2-CB 3.57Å; P313-P373 HydrophobicContact CG-CB 4.04Å; P313-P373 WeakPolarHBondContact O-CB 3.41Å; P313-P373 WeakPolarHBondContact O-CG 3.39Å; P373-V377 VanDerWaalsContact O-CG2 3.31Å; P373-V377 WeakPolarHBondContact O-CG2 3.18Å; P373-V377 PolarHBondContact O-N 2.75Å
374	A	87.9	Confident	85.1	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-69.4	-33.9	175.6	0	0	0	0	0	113	I312 Y319 F321 V368 S372 G378 L379	I312-A374 HydrophobicContact CD1-CB 3.98Å; I312-A374 HydrophobicContact CG2-CB 4.34Å; Y319-A374 WeakPolarHBondContact O-CB 3.43Å; Y319-A374 PolarHBondContact O-N 2.86Å; F321-A374 HydrophobicContact CB-CB 3.97Å; F321-A374 HydrophobicContact CD1-CB 3.77Å; F321-A374 HydrophobicContact CG-CB 4.25Å; V368-A374 HydrophobicContact CG1-CB 3.92Å; S372-A374 PolarHBondContact O-N 2.94Å; S372-A374 PolarHBondContact OG-N 2.85Å; A374-G378 PolarHBondContact O-N 2.96Å; A374-L379 HydrophobicContact CB-CB 4.05Å; A374-L379 HydrophobicContact CB-CD2 3.91Å; A374-L379 WeakPolarHBondContact O-CB 3.28Å; A374-L379 PolarHBondContact O-N 2.71Å
375	D	87.9	Confident	85.2	Confident	19 Å²	19	37.5 Å²	37.5	10%	0.102	21%	0.209	C	C	.	.	H	α-helix	trans	-81.7	-34.5	176.8	-155.9	-12.9	0	0	0	111.7	V368 Q369 K370 S372 V377 G378 T529	V368-D375 HydrophobicContact CG1-CB 3.67Å; Q369-D375 WeakPolarHBondContact O-CB 3.43Å; K370-D375 WeakPolarHBondContact CA-OD2 3.47Å; S372-D375 PolarHBondContact O-N 2.8Å; S372-D375 PolarHBondContact OG-N 3.28Å; D375-V377 VanDerWaalsContact C-N 3.31Å; D375-V377 PolarHBondContact O-N 3.33Å; D375-G378 WeakPolarHBondContact O-CA 3.39Å; D375-G378 PolarHBondContact O-N 3Å; D375-T529 WeakPolarHBondContact CB-O 3.35Å; D375-T529 WeakPolarHBondContact OD1-CB 3.47Å; D375-T529 PolarHBondContact OD1-N 3.01Å; D375-T529 PolarHBondContact OD1-OG1 3.03Å; D375-T529 WeakPolarHBondContact OD2-CB 3.4Å; D375-T529 VanDerWaalsContact OD2-O 3.14Å; D375-T529 PolarHBondContact OD2-OG1 3.47Å; D375-T529 VanDerWaalsContact OD2-OG1 3.05Å
376	E	86	Confident	85	Confident	94 Å²	94	38.3 Å²	38.3	44%	0.439	21%	0.213	S	C	.	.	H	α-helix	trans	-55.9	-45.3	171.6	-66.5	179.1	161.2	0	0	112.2	S372 G378 T528	S372-E376 PolarHBondContact O-N 2.87Å; E376-G378 VanDerWaalsContact C-N 3.3Å; E376-T528 HydrophobicContact CB-CG2 4.33Å; E376-T528 HydrophobicContact CG-CG2 4.16Å
377	V	87	Confident	85.1	Confident	63 Å²	63	32.7 Å²	32.7	38%	0.382	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-4.1	177.4	-169.9	0	0	0	0	112	I310 P373 D375	I310-V377 HydrophobicContact CG2-CG1 3.8Å; P373-V377 VanDerWaalsContact O-CG2 3.31Å; P373-V377 WeakPolarHBondContact O-CG2 3.18Å; P373-V377 PolarHBondContact O-N 2.75Å; D375-V377 VanDerWaalsContact C-N 3.31Å; D375-V377 PolarHBondContact O-N 3.33Å
378	G	86.3	Confident	85.2	Confident	43 Å²	43	30.4 Å²	30.4	44%	0.443	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	39.4	172.9	0	0	0	0	0	114.9	A374 D375 E376 P380	A374-G378 PolarHBondContact O-N 2.96Å; D375-G378 WeakPolarHBondContact O-CA 3.39Å; D375-G378 PolarHBondContact O-N 3Å; E376-G378 VanDerWaalsContact C-N 3.3Å; G378-P380 WeakPolarHBondContact O-CD 3.15Å
379	L	86.4	Confident	85.2	Confident	7 Å²	7	29.3 Å²	29.3	4%	0.037	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-58.2	117.3	174.8	-172.9	70.5	0	0	0	110.2	I310 I312 F321 I365 V368 A374 V381 L420 I422	I310-L379 HydrophobicContact CD1-CD1 4.04Å; I310-L379 HydrophobicContact CG2-CD1 4.17Å; I312-L379 HydrophobicContact CD1-CD1 4.28Å; I312-L379 HydrophobicContact CD1-CD2 3.94Å; I312-L379 HydrophobicContact CD1-CG 4.5Å; F321-L379 HydrophobicContact CB-CD2 3.83Å; F321-L379 HydrophobicContact CD1-CD2 3.86Å; F321-L379 HydrophobicContact CD2-CD2 3.75Å; F321-L379 HydrophobicContact CE1-CD2 4.31Å; F321-L379 HydrophobicContact CE2-CD2 4.22Å; F321-L379 HydrophobicContact CG-CD2 3.54Å; F321-L379 HydrophobicContact CZ-CD2 4.47Å; I365-L379 HydrophobicContact CD1-CD1 3.7Å; I365-L379 HydrophobicContact CD1-CD2 4.12Å; I365-L379 HydrophobicContact CD1-CG 3.88Å; I365-L379 HydrophobicContact CG1-CD2 4.23Å; I365-L379 HydrophobicContact CG1-CG 4.47Å; I365-L379 HydrophobicContact CG2-CD2 4.04Å; I365-L379 HydrophobicContact CG2-CG 4.31Å; V368-L379 HydrophobicContact CG2-CB 4.19Å; V368-L379 HydrophobicContact CG2-CD2 4.05Å; V368-L379 HydrophobicContact CG2-CG 4.29Å; A374-L379 HydrophobicContact CB-CB 4.05Å; A374-L379 HydrophobicContact CB-CD2 3.91Å; A374-L379 WeakPolarHBondContact O-CB 3.28Å; A374-L379 PolarHBondContact O-N 2.71Å; L379-V381 PolarHBondContact O-N 2.79Å; L379-L420 HydrophobicContact CD1-CD1 4.01Å; L379-L420 HydrophobicContact CD2-CD1 4.37Å; L379-I422 HydrophobicContact CD1-CG2 4.43Å
380	P	81.3	Confident	84.8	Confident	35 Å²	35	31.6 Å²	31.6	23%	0.227	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-81.9	119.2	-171.3	29.3	-32.9	0	0	0	112.6	G378 G382 A383 I422 L424	G378-P380 WeakPolarHBondContact O-CD 3.15Å; P380-G382 PolarHBondContact O-N 3.48Å; P380-A383 HydrophobicContact CG-CB 4.01Å; P380-A383 WeakPolarHBondContact O-CB 3.12Å; P380-A383 PolarHBondContact O-N 3.44Å; P380-I422 HydrophobicContact CG-CD1 3.55Å; P380-L424 HydrophobicContact CB-CD2 3.93Å; P380-L424 HydrophobicContact CG-CD1 4.12Å; P380-L424 HydrophobicContact CG-CD2 3.8Å; P380-L424 HydrophobicContact CG-CG 4.27Å
381	V	84.5	Confident	84.7	Confident	64 Å²	64	32.8 Å²	32.8	39%	0.388	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	131.1	172.3	178	0	0	0	0	110.8	H366 V368 L379	H366-V381 VanDerWaalsContact O-CG1 3.31Å; H366-V381 WeakPolarHBondContact O-CG1 3.47Å; V368-V381 HydrophobicContact CB-CG2 3.98Å; V368-V381 HydrophobicContact CG2-CG2 3.83Å; L379-V381 PolarHBondContact O-N 2.79Å
382	G	78.7	Confident	84.4	Confident	9 Å²	9	32.6 Å²	32.6	9%	0.093	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.8	-5.3	178.9	0	0	0	0	0	115.3	R364 I365 P380	R364-G382 PolarHBondContact NE-O 3.35Å; R364-G382 PolarHBondContact NH2-O 3.11Å; I365-G382 WeakPolarHBondContact O-CA 3.45Å; I365-G382 PolarHBondContact O-N 3.26Å; P380-G382 PolarHBondContact O-N 3.48Å
383	A	81.3	Confident	84	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-74.5	155.6	172.9	0	0	0	0	0	112.6	R364 I365 P380 I422 C423 L424	R364-A383 WeakPolarHBondContact CA-O 3.44Å; R364-A383 WeakPolarHBondContact CG-O 3.05Å; I365-A383 HydrophobicContact CD1-CB 4.14Å; I365-A383 PolarHBondContact N-O 3.17Å; P380-A383 HydrophobicContact CG-CB 4.01Å; P380-A383 WeakPolarHBondContact O-CB 3.12Å; P380-A383 PolarHBondContact O-N 3.44Å; A383-I422 HydrophobicContact CB-CD1 4.12Å; A383-C423 WeakPolarHBondContact CA-O 3.48Å; A383-C423 WeakPolarHBondContact CB-O 2.98Å; A383-L424 HydrophobicContact CB-CD2 3.9Å; A383-L424 HydrophobicContact CB-CG 4.01Å
384	Y	84.4	Confident	83.3	Confident	29 Å²	29	36.8 Å²	36.8	11%	0.114	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	145.4	178	-67.4	-81.8	0	0	0	111.5	Q326 F332 C362 F363 R364 I422 C423	Q326-Y384 PolarHBondContact OE1-OH 3.14Å; F332-Y384 HydrophobicContact CZ-CD2 4.16Å; F332-Y384 HydrophobicContact CZ-CG 4.2Å; C362-Y384 HydrophobicContact CB-CD1 3.99Å; C362-Y384 HydrophobicContact CB-CE1 4.24Å; F363-Y384 CarbonylContact O-C 3.58Å; F363-Y384 VanDerWaalsContact O-CA 3.3Å; F363-Y384 WeakPolarHBondContact O-CA 3.43Å; R364-Y384 HydrophobicContact CB-CD1 3.87Å; R364-Y384 HydrophobicContact CB-CE1 3.78Å; R364-Y384 HydrophobicContact CG-CD1 3.97Å; R364-Y384 HydrophobicContact CG-CE1 3.76Å; R364-Y384 HydrophobicContact CG-CG 4.49Å; Y384-I422 CarbonylContact O-C 3.58Å; Y384-I422 VanDerWaalsContact O-CA 3.23Å; Y384-I422 WeakPolarHBondContact O-CA 3.16Å; Y384-C423 PolarHBondContact N-O 2.88Å; Y384-C423 PolarHBondContact O-N 3.14Å
385	L	87	Confident	82.2	Confident	10 Å²	10	37.7 Å²	37.7	5%	0.052	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	119.8	-179.7	-175.5	65.9	0	0	0	110.2	L323 F363 G387 I388 L393 V402 L420 I422	L323-L385 HydrophobicContact CD1-CB 4.36Å; L323-L385 HydrophobicContact CD1-CD2 4.18Å; L323-L385 HydrophobicContact CD2-CD2 4Å; F363-L385 HydrophobicContact CB-CB 4.25Å; F363-L385 PolarHBondContact O-N 3.47Å; L385-G387 WeakPolarHBondContact CD1-O 3.35Å; L385-I388 HydrophobicContact CD2-CD1 4.44Å; L385-I388 HydrophobicContact CD2-CG1 4.16Å; L385-L393 HydrophobicContact CB-CD1 4.34Å; L385-L393 HydrophobicContact CD2-CD1 3.67Å; L385-L393 HydrophobicContact CG-CD1 3.72Å; L385-V402 HydrophobicContact CD2-CG1 4.15Å; L385-L420 HydrophobicContact CD1-CB 3.85Å; L385-L420 HydrophobicContact CD1-CD2 3.82Å; L385-L420 HydrophobicContact CD1-CG 4.27Å; L385-L420 HydrophobicContact CD2-CD2 4.49Å; L385-I422 HydrophobicContact CD1-CG2 3.96Å
386	L	83.6	Confident	81.4	Confident	18 Å²	18	41.6 Å²	41.6	9%	0.094	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-23	-179.5	-58.9	179.7	0	0	0	113.3	R307 F332 F335 L393 N421 C423	R307-L386 HydrophobicContact CG-CD1 3.95Å; F332-L386 HydrophobicContact CD1-CD2 3.98Å; F335-L386 HydrophobicContact CB-CD1 4.09Å; F335-L386 HydrophobicContact CB-CD2 3.69Å; L386-L393 PolarHBondContact O-N 3.26Å; L386-N421 WeakPolarHBondContact CA-O 3.24Å; L386-N421 WeakPolarHBondContact CB-O 3.03Å; L386-N421 PolarHBondContact N-O 2.8Å; L386-C423 HydrophobicContact CD1-CB 3.82Å; L386-C423 HydrophobicContact CD2-CB 3.97Å; L386-C423 HydrophobicContact CG-CB 3.81Å
387	G	85.8	Confident	81	Confident	1 Å²	1	39 Å²	39	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.9	162.1	-173.3	0	0	0	0	0	112.8	L385 T391 N421	L385-G387 WeakPolarHBondContact CD1-O 3.35Å; G387-T391 CarbonylContact C-O 3.53Å; G387-T391 WeakPolarHBondContact CA-O 3.22Å; G387-N421 PolarHBondContact N-O 3.16Å; G387-N421 PolarHBondContact O-N 3.04Å
388	I	87	Confident	80.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	129.2	179.7	-55.3	163	0	0	0	107.6	L385 N390 T391 L393 V402 C405 M406 A409 I418 I419 L420	L385-I388 HydrophobicContact CD2-CD1 4.44Å; L385-I388 HydrophobicContact CD2-CG1 4.16Å; I388-N390 PolarHBondContact O-N 3.42Å; I388-T391 PolarHBondContact N-O 3.48Å; I388-T391 PolarHBondContact O-N 3.04Å; I388-T391 PolarHBondContact O-OG1 3.14Å; I388-L393 HydrophobicContact CD1-CD1 4.49Å; I388-L393 HydrophobicContact CD1-CD2 4.01Å; I388-L393 HydrophobicContact CG1-CD2 4.41Å; I388-V402 HydrophobicContact CD1-CG1 3.97Å; I388-C405 HydrophobicContact CD1-CB 3.83Å; I388-M406 HydrophobicContact CD1-CB 4.46Å; I388-M406 HydrophobicContact CD1-CG 3.53Å; I388-M406 HydrophobicContact CG1-CG 4.28Å; I388-M406 HydrophobicContact CG2-CG 4.4Å; I388-A409 HydrophobicContact CG2-CB 3.47Å; I388-A409 VanDerWaalsContact CG2-CB 3.47Å; I388-I418 HydrophobicContact CG2-CG2 3.97Å; I388-I419 CarbonylContact C-O 3.56Å; I388-I419 WeakPolarHBondContact CA-O 3.44Å; I388-L420 HydrophobicContact CG1-CD2 4.25Å; I388-L420 HydrophobicContact CG2-CD2 4.42Å
389	G	83.9	Confident	80.6	Confident	5 Å²	5	39.8 Å²	39.8	5%	0.052	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	-113.6	-173.5	0	0	0	0	0	111.1	I419 N421	G389-I419 PolarHBondContact N-O 3.1Å; G389-N421 PolarHBondContact O-ND2 2.94Å; G389-N421 VanDerWaalsContact O-ND2 3.15Å
390	N	76.6	Confident	80.6	Confident	150 Å²	150	47 Å²	47	80%	0.802	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	0.5	176	-64.5	-15.1	0	0	0	113.3	I388	I388-N390 PolarHBondContact O-N 3.42Å
391	T	80.5	Confident	80.8	Confident	76 Å²	76	48 Å²	48	47%	0.466	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123	176.2	53	0	0	0	0	111.2	G387 I388	G387-T391 CarbonylContact C-O 3.53Å; G387-T391 WeakPolarHBondContact CA-O 3.22Å; I388-T391 PolarHBondContact N-O 3.48Å; I388-T391 PolarHBondContact O-N 3.04Å; I388-T391 PolarHBondContact O-OG1 3.14Å
392	P	80.8	Confident	80.9	Confident	55 Å²	55	45 Å²	45	36%	0.357	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	148.1	168.3	30.3	-32	0	0	0	110.2	A336 T338	A336-P392 HydrophobicContact CB-CB 4.28Å; T338-P392 HydrophobicContact CG2-CG 4.03Å
393	L	79.2	Confident	81.4	Confident	17 Å²	17	48.4 Å²	48.4	9%	0.089	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-87.3	130.6	175.1	-67.2	-175.7	0	0	0	110.6	F363 L385 L386 I388 L397 V402	F363-L393 HydrophobicContact CD2-CD1 3.99Å; L385-L393 HydrophobicContact CB-CD1 4.34Å; L385-L393 HydrophobicContact CD2-CD1 3.67Å; L385-L393 HydrophobicContact CG-CD1 3.72Å; L386-L393 PolarHBondContact O-N 3.26Å; I388-L393 HydrophobicContact CD1-CD1 4.49Å; I388-L393 HydrophobicContact CD1-CD2 4.01Å; I388-L393 HydrophobicContact CG1-CD2 4.41Å; L393-L397 HydrophobicContact CB-CD1 4.38Å; L393-L397 HydrophobicContact CD2-CD1 3.74Å; L393-V402 HydrophobicContact CD1-CG1 3.84Å; L393-V402 HydrophobicContact CD1-CG2 4.08Å; L393-V402 HydrophobicContact CD2-CG1 4.38Å; L393-V402 HydrophobicContact CD2-CG2 4.04Å
394	N	72.2	Confident	81.6	Confident	77 Å²	77	52.6 Å²	52.6	41%	0.412	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-95.3	145.6	173.4	-164.9	-11.5	0	0	0	110.6	T396 L397	N394-T396 PolarHBondContact O-N 3.27Å; N394-L397 WeakPolarHBondContact O-CB 3.46Å; N394-L397 WeakPolarHBondContact O-CG 3.46Å; N394-L397 PolarHBondContact O-N 3.47Å; N394-L397 VanDerWaalsContact O-N 3.13Å
395	C	66.7	Low	81.7	Confident	20 Å²	20	53.1 Å²	53.1	14%	0.135	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-9.7	-179.2	-51.2	0	0	0	0	114.1	H360 R361	H360-C395 HydrophobicContact CB-CB 4Å; H360-C395 PolarHBondContact ND1-SG 3.17Å; R361-C395 WeakPolarHBondContact CB-O 3.4Å
396	T	69.7	Low	81.7	Confident	100 Å²	100	53.6 Å²	53.6	61%	0.613	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-24.5	174.8	50.2	0	0	0	0	113.6	R361 N394	R361-T396 PolarHBondContact NH1-O 3.16Å; N394-T396 PolarHBondContact O-N 3.27Å
397	L	77.9	Confident	81.8	Confident	41 Å²	41	55.5 Å²	55.5	22%	0.215	31%	0.31	C	S	.	.			trans	-64.4	155.8	-175.2	-62.6	171	0	0	0	112.2	R361 F363 L393 N394 D401 V402	R361-L397 WeakPolarHBondContact CD-O 3.45Å; R361-L397 PolarHBondContact NH1-O 3.31Å; F363-L397 HydrophobicContact CE2-CB 4.41Å; F363-L397 HydrophobicContact CZ-CB 4.34Å; L393-L397 HydrophobicContact CB-CD1 4.38Å; L393-L397 HydrophobicContact CD2-CD1 3.74Å; N394-L397 WeakPolarHBondContact O-CB 3.46Å; N394-L397 WeakPolarHBondContact O-CG 3.46Å; N394-L397 PolarHBondContact O-N 3.47Å; N394-L397 VanDerWaalsContact O-N 3.13Å; L397-D401 HydrophobicContact CB-CB 4.37Å; L397-D401 HydrophobicContact CD2-CB 3.93Å; L397-V402 HydrophobicContact CB-CG2 4.15Å; L397-V402 HydrophobicContact CD1-CG2 4.33Å
398	T	81.6	Confident	81.8	Confident	56 Å²	56	61.1 Å²	61.1	34%	0.344	33%	0.334	S	S	.	.			trans	-97.2	166.8	167.8	73.5	0	0	0	0	110.5	K400 D401 V402	T398-K400 PolarHBondContact O-N 3.26Å; T398-K400 PolarHBondContact OG1-N 3.2Å; T398-D401 WeakPolarHBondContact CA-OD2 3.21Å; T398-D401 VanDerWaalsContact CB-OD2 3.28Å; T398-D401 WeakPolarHBondContact CB-OD2 3.45Å; T398-D401 WeakPolarHBondContact CG2-OD2 3.21Å; T398-D401 PolarHBondContact N-OD2 3.04Å; T398-D401 PolarHBondContact O-N 3.35Å; T398-D401 PolarHBondContact OG1-N 3.46Å; T398-D401 PolarHBondContact OG1-OD1 3.22Å; T398-D401 PolarHBondContact OG1-OD2 2.78Å; T398-V402 WeakPolarHBondContact O-CG2 3.27Å; T398-V402 PolarHBondContact O-N 2.94Å; T398-V402 VanDerWaalsContact O-N 3.13Å
399	L	84.4	Confident	81.7	Confident	66 Å²	66	61.6 Å²	61.6	35%	0.346	34%	0.338	S	S	.	.	H	α-helix	trans	-60.8	-30.2	174.9	-173.4	63.4	0	0	0	112.1	L323 F363 V403	L323-L399 HydrophobicContact CB-CD1 4.26Å; L323-L399 HydrophobicContact CD2-CD1 3.95Å; L323-L399 HydrophobicContact CG-CD1 4.12Å; F363-L399 HydrophobicContact CD1-CD1 3.95Å; F363-L399 HydrophobicContact CE1-CB 4.3Å; F363-L399 HydrophobicContact CE1-CD1 4.24Å; L399-V403 WeakPolarHBondContact O-CG2 3.42Å; L399-V403 PolarHBondContact O-N 3.08Å; L399-V403 VanDerWaalsContact O-N 3.13Å
400	K	85.2	Confident	81.8	Confident	159 Å²	159	61.4 Å²	61.4	69%	0.691	34%	0.336	S	S	*	.	H	α-helix	trans	-65.2	-48.9	175	-176.8	-179	176.2	-178	0	111	T398 V402 V403 E404	T398-K400 PolarHBondContact O-N 3.26Å; T398-K400 PolarHBondContact OG1-N 3.2Å; K400-V402 VanDerWaalsContact C-N 3.28Å; K400-V402 PolarHBondContact O-N 3.17Å; K400-V403 PolarHBondContact O-N 2.7Å; K400-V403 VanDerWaalsContact O-N 3.12Å; K400-E404 PolarHBondContact O-N 3.48Å
401	D	86.2	Confident	82.2	Confident	55 Å²	55	60.4 Å²	60.4	29%	0.294	33%	0.326	S	S	.	.	H	α-helix	trans	-63.9	-36.5	-178.2	-42.5	-40.7	0	0	0	111.1	L397 T398 E404 C405	L397-D401 HydrophobicContact CB-CB 4.37Å; L397-D401 HydrophobicContact CD2-CB 3.93Å; T398-D401 WeakPolarHBondContact CA-OD2 3.21Å; T398-D401 VanDerWaalsContact CB-OD2 3.28Å; T398-D401 WeakPolarHBondContact CB-OD2 3.45Å; T398-D401 WeakPolarHBondContact CG2-OD2 3.21Å; T398-D401 PolarHBondContact N-OD2 3.04Å; T398-D401 PolarHBondContact O-N 3.35Å; T398-D401 PolarHBondContact OG1-N 3.46Å; T398-D401 PolarHBondContact OG1-OD1 3.22Å; T398-D401 PolarHBondContact OG1-OD2 2.78Å; D401-E404 PolarHBondContact O-N 2.83Å; D401-C405 WeakPolarHBondContact O-CB 3.32Å; D401-C405 PolarHBondContact O-N 3Å; D401-C405 PolarHBondContact O-SG 3.21Å; D401-C405 VanDerWaalsContact O-SG 3.32Å
402	V	86.6	Confident	82.3	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-65.4	-40.9	174.3	177.6	0	0	0	0	111.9	L323 F363 L385 I388 L393 L397 T398 K400 E404 C405 M406	L323-V402 HydrophobicContact CD2-CG1 3.68Å; F363-V402 HydrophobicContact CD1-CG2 4.09Å; F363-V402 HydrophobicContact CD2-CG2 3.84Å; F363-V402 HydrophobicContact CE1-CB 4.48Å; F363-V402 HydrophobicContact CE1-CG2 3.78Å; F363-V402 HydrophobicContact CE2-CG2 3.53Å; F363-V402 HydrophobicContact CG-CG2 4.12Å; F363-V402 HydrophobicContact CZ-CG2 3.49Å; F363-V402 VanDerWaalsContact CZ-CG2 3.49Å; L385-V402 HydrophobicContact CD2-CG1 4.15Å; I388-V402 HydrophobicContact CD1-CG1 3.97Å; L393-V402 HydrophobicContact CD1-CG1 3.84Å; L393-V402 HydrophobicContact CD1-CG2 4.08Å; L393-V402 HydrophobicContact CD2-CG1 4.38Å; L393-V402 HydrophobicContact CD2-CG2 4.04Å; L397-V402 HydrophobicContact CB-CG2 4.15Å; L397-V402 HydrophobicContact CD1-CG2 4.33Å; T398-V402 WeakPolarHBondContact O-CG2 3.27Å; T398-V402 PolarHBondContact O-N 2.94Å; T398-V402 VanDerWaalsContact O-N 3.13Å; K400-V402 VanDerWaalsContact C-N 3.28Å; K400-V402 PolarHBondContact O-N 3.17Å; V402-E404 VanDerWaalsContact C-N 3.34Å; V402-C405 PolarHBondContact O-N 2.7Å; V402-M406 WeakPolarHBondContact O-CG 3.49Å; V402-M406 PolarHBondContact O-N 3.18Å
403	V	87.9	Confident	82.2	Confident	81 Å²	81	60.8 Å²	60.8	49%	0.491	33%	0.328	S	S	.	.	H	α-helix	trans	-67.3	-35	174.2	170.7	0	0	0	0	111.5	L399 K400 M406 S407	L399-V403 WeakPolarHBondContact O-CG2 3.42Å; L399-V403 PolarHBondContact O-N 3.08Å; L399-V403 VanDerWaalsContact O-N 3.13Å; K400-V403 PolarHBondContact O-N 2.7Å; K400-V403 VanDerWaalsContact O-N 3.12Å; V403-M406 WeakPolarHBondContact O-CB 3.34Å; V403-M406 PolarHBondContact O-N 3.01Å; V403-S407 PolarHBondContact O-N 3.01Å
404	E	86.2	Confident	82.2	Confident	89 Å²	89	65.8 Å²	65.8	42%	0.416	36%	0.361	S	S	.	.	H	α-helix	trans	-66.9	-41.9	173.2	-163.6	-176.1	125.8	0	0	111.7	K400 D401 V402 M406 S407 K408	K400-E404 PolarHBondContact O-N 3.48Å; D401-E404 PolarHBondContact O-N 2.83Å; V402-E404 VanDerWaalsContact C-N 3.34Å; E404-M406 VanDerWaalsContact C-N 3.29Å; E404-M406 PolarHBondContact O-N 2.76Å; E404-S407 PolarHBondContact O-N 3.3Å; E404-K408 HydrophobicContact CG-CD 4.37Å; E404-K408 WeakPolarHBondContact O-CG 3.43Å; E404-K408 PolarHBondContact O-N 3.22Å; E404-K408 WeakPolarHBondContact OE1-CE 3.48Å; E404-K408 IonicContact OE1-NZ 2.76Å; E404-K408 PolarHBondContact OE1-NZ 2.83Å
405	C	85.8	Confident	82.5	Confident	39 Å²	39	68.7 Å²	68.7	26%	0.264	38%	0.377	S	S	.	.	H	α-helix	trans	-60.9	-36.3	170	-71.7	0	0	0	0	112.3	I388 D401 V402 A409	I388-C405 HydrophobicContact CD1-CB 3.83Å; D401-C405 WeakPolarHBondContact O-CB 3.32Å; D401-C405 PolarHBondContact O-N 3Å; D401-C405 PolarHBondContact O-SG 3.21Å; D401-C405 VanDerWaalsContact O-SG 3.32Å; V402-C405 PolarHBondContact O-N 2.7Å; C405-A409 WeakPolarHBondContact O-CB 3.4Å; C405-A409 PolarHBondContact O-N 3.27Å
406	M	87.7	Confident	83.3	Confident	21 Å²	21	73.3 Å²	73.3	10%	0.103	40%	0.395	C	S	.	.	H	α-helix	trans	-63.6	-42.9	173.1	-77.6	-179.6	56.5	0	0	112.2	F321 I388 V402 V403 E404 A410 I418	F321-M406 HydrophobicContact CE1-CE 3.99Å; F321-M406 HydrophobicContact CE2-CE 4.22Å; F321-M406 HydrophobicContact CZ-CE 3.41Å; F321-M406 VanDerWaalsContact CZ-CE 3.41Å; F321-M406 HydrophobicContact CZ-SD 4.21Å; I388-M406 HydrophobicContact CD1-CB 4.46Å; I388-M406 HydrophobicContact CD1-CG 3.53Å; I388-M406 HydrophobicContact CG1-CG 4.28Å; I388-M406 HydrophobicContact CG2-CG 4.4Å; V402-M406 WeakPolarHBondContact O-CG 3.49Å; V402-M406 PolarHBondContact O-N 3.18Å; V403-M406 WeakPolarHBondContact O-CB 3.34Å; V403-M406 PolarHBondContact O-N 3.01Å; E404-M406 VanDerWaalsContact C-N 3.29Å; E404-M406 PolarHBondContact O-N 2.76Å; M406-A410 WeakPolarHBondContact O-CB 3.23Å; M406-A410 PolarHBondContact O-N 3.33Å; M406-I418 HydrophobicContact CB-CD1 3.96Å; M406-I418 HydrophobicContact CE-CD1 3.82Å; M406-I418 HydrophobicContact CG-CD1 4.45Å; M406-I418 WeakPolarHBondContact O-CD1 3.36Å
407	S	86.1	Confident	84.1	Confident	58 Å²	58	69.2 Å²	69.2	41%	0.406	37%	0.371	S	S	.	.	H	α-helix	trans	-65	-50	177.1	-154.6	0	0	0	0	111.3	V403 E404 A409 A410 E411	V403-S407 PolarHBondContact O-N 3.01Å; E404-S407 PolarHBondContact O-N 3.3Å; S407-A409 VanDerWaalsContact C-N 3.32Å; S407-A409 PolarHBondContact O-N 3.42Å; S407-A410 WeakPolarHBondContact O-CB 3.43Å; S407-A410 PolarHBondContact O-N 3.05Å; S407-A410 VanDerWaalsContact O-N 3.09Å; S407-E411 WeakPolarHBondContact CB-OE1 3.39Å; S407-E411 WeakPolarHBondContact O-CB 3.3Å; S407-E411 VanDerWaalsContact O-CG 3.32Å; S407-E411 WeakPolarHBondContact O-CG 3.42Å; S407-E411 PolarHBondContact O-N 3.19Å; S407-E411 PolarHBondContact OG-OE1 3.04Å
408	K	86.1	Confident	84.7	Confident	118 Å²	118	67.3 Å²	67.3	51%	0.513	36%	0.361	S	S	.	.	H	α-helix	trans	-58.7	-41.3	178	-72.7	169.6	172.4	172.9	0	112.6	E404 E411 S412	E404-K408 HydrophobicContact CG-CD 4.37Å; E404-K408 WeakPolarHBondContact O-CG 3.43Å; E404-K408 PolarHBondContact O-N 3.22Å; E404-K408 WeakPolarHBondContact OE1-CE 3.48Å; E404-K408 IonicContact OE1-NZ 2.76Å; E404-K408 PolarHBondContact OE1-NZ 2.83Å; K408-E411 PolarHBondContact O-N 2.96Å; K408-S412 PolarHBondContact O-N 2.75Å; K408-S412 VanDerWaalsContact O-N 3.07Å
409	A	85.1	Confident	85.1	Confident	10 Å²	10	65.9 Å²	65.9	8%	0.083	35%	0.351	C	S	.	.	H	α-helix	trans	-63.2	-46.2	173.8	0	0	0	0	0	112.2	I388 C405 S407 E411 S412 H413	I388-A409 HydrophobicContact CG2-CB 3.47Å; I388-A409 VanDerWaalsContact CG2-CB 3.47Å; C405-A409 WeakPolarHBondContact O-CB 3.4Å; C405-A409 PolarHBondContact O-N 3.27Å; S407-A409 VanDerWaalsContact C-N 3.32Å; S407-A409 PolarHBondContact O-N 3.42Å; A409-E411 PolarHBondContact O-N 3.16Å; A409-S412 PolarHBondContact O-N 2.84Å; A409-S412 PolarHBondContact O-OG 3.27Å; A409-H413 PolarHBondContact O-CD2 2.87Å; A409-H413 VanDerWaalsContact O-CD2 3.26Å; A409-H413 PolarHBondContact O-N 2.79Å
410	A	86.1	Confident	85.4	Confident	2 Å²	2	62.8 Å²	62.8	2%	0.017	33%	0.334	C	S	.	.	H	α-helix	trans	-58.4	-47	175.5	0	0	0	0	0	112.1	Y319 M406 S407 S412 H413 K416 I418	Y319-A410 WeakPolarHBondContact OH-CB 3.24Å; M406-A410 WeakPolarHBondContact O-CB 3.23Å; M406-A410 PolarHBondContact O-N 3.33Å; S407-A410 WeakPolarHBondContact O-CB 3.43Å; S407-A410 PolarHBondContact O-N 3.05Å; S407-A410 VanDerWaalsContact O-N 3.09Å; A410-S412 VanDerWaalsContact C-N 3.26Å; A410-S412 PolarHBondContact O-N 2.81Å; A410-H413 PolarHBondContact O-N 2.8Å; A410-H413 VanDerWaalsContact O-N 3.13Å; A410-K416 WeakPolarHBondContact O-CA 3.43Å; A410-I418 HydrophobicContact CB-CD1 4.11Å; A410-I418 HydrophobicContact CB-CG1 3.67Å
411	E	84.3	Confident	85.5	Confident	128 Å²	128	57.2 Å²	57.2	60%	0.598	31%	0.312	S	S	*	.	H	α-helix	trans	-62.1	-32.8	179.7	-71.3	156	-136.3	0	0	112.2	S407 K408 A409 H413	S407-E411 WeakPolarHBondContact CB-OE1 3.39Å; S407-E411 WeakPolarHBondContact O-CB 3.3Å; S407-E411 VanDerWaalsContact O-CG 3.32Å; S407-E411 WeakPolarHBondContact O-CG 3.42Å; S407-E411 PolarHBondContact O-N 3.19Å; S407-E411 PolarHBondContact OG-OE1 3.04Å; K408-E411 PolarHBondContact O-N 2.96Å; A409-E411 PolarHBondContact O-N 3.16Å; E411-H413 VanDerWaalsContact C-N 3.34Å; E411-H413 PolarHBondContact O-N 2.89Å
412	S	81.8	Confident	85.6	Confident	88 Å²	88	54.6 Å²	54.6	62%	0.615	30%	0.299	S	S	*	.	H	α-helix	trans	-74.2	-15.4	175.3	75.9	0	0	0	0	115.5	K408 A409 A410	K408-S412 PolarHBondContact O-N 2.75Å; K408-S412 VanDerWaalsContact O-N 3.07Å; A409-S412 PolarHBondContact O-N 2.84Å; A409-S412 PolarHBondContact O-OG 3.27Å; A410-S412 VanDerWaalsContact C-N 3.26Å; A410-S412 PolarHBondContact O-N 2.81Å
413	H	80.4	Confident	85.4	Confident	52 Å²	52	54.6 Å²	54.6	24%	0.241	30%	0.299	C	S	.	.	S	Bend	trans	-95.2	134.2	-179.5	-81.1	-60.5	0	0	0	111.2	A409 A410 E411 N415 K416 A417 I419	A409-H413 PolarHBondContact O-CD2 2.87Å; A409-H413 VanDerWaalsContact O-CD2 3.26Å; A409-H413 PolarHBondContact O-N 2.79Å; A410-H413 PolarHBondContact O-N 2.8Å; A410-H413 VanDerWaalsContact O-N 3.13Å; E411-H413 VanDerWaalsContact C-N 3.34Å; E411-H413 PolarHBondContact O-N 2.89Å; H413-N415 VanDerWaalsContact C-N 3.25Å; H413-N415 PolarHBondContact O-N 3Å; H413-N415 VanDerWaalsContact O-N 3.16Å; H413-K416 WeakPolarHBondContact O-CA 3.23Å; H413-K416 PolarHBondContact O-N 2.8Å; H413-A417 WeakPolarHBondContact CB-O 3.47Å; H413-A417 PolarHBondContact CD2-O 3.34Å; H413-I419 VanDerWaalsContact CE1-CD1 3.48Å; H413-I419 WeakPolarHBondContact CE1-CD1 3.21Å
414	P	77.9	Confident	84.8	Confident	122 Å²	122	52.5 Å²	52.5	79%	0.792	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-34.3	-173.1	23.2	-33.9	0	0	0	113	K416	P414-K416 VanDerWaalsContact C-N 3.31Å
415	N	79	Confident	83.4	Confident	138 Å²	138	51.4 Å²	51.4	74%	0.738	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	13.6	178.6	-59.8	14.6	0	0	0	112.6	H413 A417	H413-N415 VanDerWaalsContact C-N 3.25Å; H413-N415 PolarHBondContact O-N 3Å; H413-N415 VanDerWaalsContact O-N 3.16Å; N415-A417 PolarHBondContact O-N 2.84Å
416	K	83.9	Confident	81.7	Confident	117 Å²	117	51.2 Å²	51.2	51%	0.509	28%	0.281	S	S	.	.			trans	54	19.5	-173.9	-60.2	176.4	-178.1	171.8	0	115.3	R314 Y319 A410 H413 P414	R314-K416 HydrophobicContact CB-CB 4.17Å; R314-K416 WeakPolarHBondContact CB-O 3.32Å; Y319-K416 PolarHBondContact OH-O 2.86Å; Y319-K416 VanDerWaalsContact OH-O 3.14Å; A410-K416 WeakPolarHBondContact O-CA 3.43Å; H413-K416 WeakPolarHBondContact O-CA 3.23Å; H413-K416 PolarHBondContact O-N 2.8Å; P414-K416 VanDerWaalsContact C-N 3.31Å
417	A	85.9	Confident	79.3	Confident	14 Å²	14	54.6 Å²	54.6	12%	0.116	31%	0.306	C	S	.	.			trans	-76	150.6	-179.2	0	0	0	0	0	111.7	T311 I312 H413 N415	T311-A417 HydrophobicContact CG2-CB 4.13Å; I312-A417 CarbonylContact O-C 3.56Å; I312-A417 VanDerWaalsContact O-CA 3.28Å; I312-A417 WeakPolarHBondContact O-CA 3.17Å; I312-A417 WeakPolarHBondContact O-CB 3.42Å; H413-A417 WeakPolarHBondContact CB-O 3.47Å; H413-A417 PolarHBondContact CD2-O 3.34Å; N415-A417 PolarHBondContact O-N 2.84Å
418	I	90	Very high	77	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	124.1	172.8	-64.2	-179.6	0	0	0	110.1	I312 Y319 I388 M406 A410 L420	I312-I418 PolarHBondContact N-O 3.18Å; I312-I418 PolarHBondContact O-N 3Å; Y319-I418 HydrophobicContact CD1-CD1 4.35Å; Y319-I418 HydrophobicContact CD1-CG1 4.48Å; Y319-I418 HydrophobicContact CD2-CD1 3.82Å; Y319-I418 HydrophobicContact CE1-CB 4.42Å; Y319-I418 HydrophobicContact CE1-CD1 3.93Å; Y319-I418 HydrophobicContact CE1-CG1 3.84Å; Y319-I418 HydrophobicContact CE2-CD1 3.34Å; Y319-I418 HydrophobicContact CE2-CG1 4.13Å; Y319-I418 HydrophobicContact CG-CD1 4.32Å; Y319-I418 VanDerWaalsContact CZ-CD1 3.4Å; I388-I418 HydrophobicContact CG2-CG2 3.97Å; M406-I418 HydrophobicContact CB-CD1 3.96Å; M406-I418 HydrophobicContact CE-CD1 3.82Å; M406-I418 HydrophobicContact CG-CD1 4.45Å; M406-I418 WeakPolarHBondContact O-CD1 3.36Å; A410-I418 HydrophobicContact CB-CD1 4.11Å; A410-I418 HydrophobicContact CB-CG1 3.67Å; I418-L420 HydrophobicContact CG2-CD2 3.49Å; I418-L420 VanDerWaalsContact CG2-CD2 3.49Å; I418-L420 HydrophobicContact CG2-CG 3.99Å
419	I	89.8	Confident	74.4	Confident	26 Å²	26	60.2 Å²	60.2	13%	0.133	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	129.3	166	-66.5	-175.7	0	0	0	108.9	K309 I310 T311 I388 G389 H413	K309-I419 HydrophobicContact CD-CG2 4.21Å; K309-I419 HydrophobicContact CG-CG2 4Å; I310-I419 CarbonylContact O-C 3.39Å; I310-I419 WeakPolarHBondContact O-CA 2.98Å; T311-I419 HydrophobicContact CG2-CG1 3.92Å; I388-I419 CarbonylContact C-O 3.56Å; I388-I419 WeakPolarHBondContact CA-O 3.44Å; G389-I419 PolarHBondContact N-O 3.1Å; H413-I419 VanDerWaalsContact CE1-CD1 3.48Å; H413-I419 WeakPolarHBondContact CE1-CD1 3.21Å
420	L	90.8	Very high	71.5	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.1	174.6	-58.6	179.8	0	0	0	110.2	K309 I310 I312 F321 L379 L385 I388 I418 I422	K309-L420 WeakPolarHBondContact CA-O 3.47Å; I310-L420 PolarHBondContact N-O 2.89Å; I310-L420 PolarHBondContact O-N 2.79Å; I312-L420 HydrophobicContact CD1-CD1 3.58Å; I312-L420 HydrophobicContact CD1-CG 4.36Å; F321-L420 HydrophobicContact CE1-CD1 4.19Å; F321-L420 HydrophobicContact CE2-CD1 4.21Å; F321-L420 HydrophobicContact CZ-CD1 3.65Å; L379-L420 HydrophobicContact CD1-CD1 4.01Å; L379-L420 HydrophobicContact CD2-CD1 4.37Å; L385-L420 HydrophobicContact CD1-CB 3.85Å; L385-L420 HydrophobicContact CD1-CD2 3.82Å; L385-L420 HydrophobicContact CD1-CG 4.27Å; L385-L420 HydrophobicContact CD2-CD2 4.49Å; I388-L420 HydrophobicContact CG1-CD2 4.25Å; I388-L420 HydrophobicContact CG2-CD2 4.42Å; I418-L420 HydrophobicContact CG2-CD2 3.49Å; I418-L420 VanDerWaalsContact CG2-CD2 3.49Å; I418-L420 HydrophobicContact CG2-CG 3.99Å; L420-I422 HydrophobicContact CB-CG2 4.1Å
421	N	87.5	Confident	68.8	Low	42 Å²	42	72.3 Å²	72.3	23%	0.225	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	110	169.1	-56.8	-57.9	0	0	0	107.6	K309 L386 G387 G389	K309-N421 WeakPolarHBondContact CD-OD1 3.45Å; K309-N421 WeakPolarHBondContact CE-OD1 3.38Å; K309-N421 WeakPolarHBondContact CG-OD1 3.43Å; L386-N421 WeakPolarHBondContact CA-O 3.24Å; L386-N421 WeakPolarHBondContact CB-O 3.03Å; L386-N421 PolarHBondContact N-O 2.8Å; G387-N421 PolarHBondContact N-O 3.16Å; G387-N421 PolarHBondContact O-N 3.04Å; G389-N421 PolarHBondContact O-ND2 2.94Å; G389-N421 VanDerWaalsContact O-ND2 3.15Å
422	I	88.4	Confident	66.1	Low	1 Å²	1	73.5 Å²	73.5	1%	0.005	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	163.9	-173.5	64.9	156.1	0	0	0	112.9	R307 K308 I310 I365 L379 P380 A383 Y384 L385 L420 L424	R307-I422 CarbonylContact C-O 3.59Å; R307-I422 VanDerWaalsContact CA-O 3.28Å; R307-I422 WeakPolarHBondContact CA-O 3.39Å; K308-I422 HydrophobicContact CB-CD1 4.36Å; K308-I422 HydrophobicContact CB-CG1 3.97Å; K308-I422 PolarHBondContact N-O 2.86Å; K308-I422 WeakPolarHBondContact O-CG1 3.32Å; K308-I422 PolarHBondContact O-N 3.37Å; I310-I422 HydrophobicContact CD1-CD1 3.62Å; I310-I422 HydrophobicContact CD1-CG1 4.24Å; I310-I422 HydrophobicContact CG1-CD1 4.47Å; I365-I422 HydrophobicContact CD1-CG2 3.96Å; L379-I422 HydrophobicContact CD1-CG2 4.43Å; P380-I422 HydrophobicContact CG-CD1 3.55Å; A383-I422 HydrophobicContact CB-CD1 4.12Å; Y384-I422 CarbonylContact O-C 3.58Å; Y384-I422 VanDerWaalsContact O-CA 3.23Å; Y384-I422 WeakPolarHBondContact O-CA 3.16Å; L385-I422 HydrophobicContact CD1-CG2 3.96Å; L420-I422 HydrophobicContact CB-CG2 4.1Å; I422-L424 HydrophobicContact CD1-CD1 4.49Å
423	C	81.9	Confident	63.3	Low	0 Å²	0	73.8 Å²	73.8	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	128.8	-178	-163.9	0	0	0	0	110.8	F305 A383 Y384 L386	F305-C423 VanDerWaalsContact CD1-SG 3.58Å; A383-C423 WeakPolarHBondContact CA-O 3.48Å; A383-C423 WeakPolarHBondContact CB-O 2.98Å; Y384-C423 PolarHBondContact N-O 2.88Å; Y384-C423 PolarHBondContact O-N 3.14Å; L386-C423 HydrophobicContact CD1-CB 3.82Å; L386-C423 HydrophobicContact CD2-CB 3.97Å; L386-C423 HydrophobicContact CG-CB 3.81Å
424	L	75.6	Confident	60.8	Low	36 Å²	36	79.4 Å²	79.4	19%	0.188	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132.2	176.2	-72.4	142	0	0	0	109.4	F305 I306 K308 P380 A383 I422 D426	F305-L424 CarbonylContact C-O 3.46Å; F305-L424 VanDerWaalsContact CA-O 3.29Å; F305-L424 WeakPolarHBondContact CA-O 3.21Å; I306-L424 HydrophobicContact CB-CB 4.43Å; I306-L424 PolarHBondContact N-O 3.24Å; I306-L424 PolarHBondContact O-N 2.81Å; K308-L424 HydrophobicContact CD-CD1 3.9Å; K308-L424 HydrophobicContact CG-CD1 4.27Å; P380-L424 HydrophobicContact CB-CD2 3.93Å; P380-L424 HydrophobicContact CG-CD1 4.12Å; P380-L424 HydrophobicContact CG-CD2 3.8Å; P380-L424 HydrophobicContact CG-CG 4.27Å; A383-L424 HydrophobicContact CB-CD2 3.9Å; A383-L424 HydrophobicContact CB-CG 4.01Å; I422-L424 HydrophobicContact CD1-CD1 4.49Å; L424-D426 PolarHBondContact O-N 3.39Å
425	P	58.3	Low	58.2	Low	66 Å²	66	80.9 Å²	80.9	43%	0.429	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	129.2	166.2	27.7	-32.9	0	0	0	109.3	F305 C427	F305-P425 HydrophobicContact CD1-CB 4.35Å; F305-P425 HydrophobicContact CE1-CB 4.06Å; P425-C427 PolarHBondContact O-N 2.9Å; P425-C427 VanDerWaalsContact O-N 3.1Å
426	D	49.6	Very low	55.9	Low	36 Å²	36	81.7 Å²	81.7	19%	0.193	42%	0.417	C	S	.	.			trans	-84	88.9	-168.9	-169.2	-6.8	0	0	0	111.5	G304 I306 L424 S428	G304-D426 VanDerWaalsContact C-CB 3.46Å; G304-D426 WeakPolarHBondContact O-CB 3.3Å; G304-D426 PolarHBondContact O-N 2.99Å; I306-D426 HydrophobicContact CD1-CB 4.49Å; I306-D426 HydrophobicContact CG1-CB 3.97Å; L424-D426 PolarHBondContact O-N 3.39Å; D426-S428 PolarHBondContact O-N 2.99Å; D426-S428 WeakPolarHBondContact OD1-CB 3.14Å; D426-S428 PolarHBondContact OD1-N 3.14Å; D426-S428 PolarHBondContact OD1-OG 2.89Å
427	C	37.9	Very low	53.2	Low	92 Å²	92	80.9 Å²	80.9	62%	0.622	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	16.5	176.3	-58.4	0	0	0	0	114.3	P425	P425-C427 PolarHBondContact O-N 2.9Å; P425-C427 VanDerWaalsContact O-N 3.1Å
428	S	37.7	Very low	50.4	Low	93 Å²	93	91.7 Å²	91.7	65%	0.65	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.2	4.5	-170.5	77.3	0	0	0	0	116.3	D426	D426-S428 PolarHBondContact O-N 2.99Å; D426-S428 WeakPolarHBondContact OD1-CB 3.14Å; D426-S428 PolarHBondContact OD1-N 3.14Å; D426-S428 PolarHBondContact OD1-OG 2.89Å
429	R	30.7	Very low	47.4	Very low	201 Å²	201	100.4 Å²	100.4	76%	0.758	51%	0.505	S	S	*	.	S	Bend	trans	-126.2	129.4	175	-72.4	-174.9	170.6	-169.2	-2.8	113	L431	R429-L431 PolarHBondContact O-N 2.97Å; R429-L431 VanDerWaalsContact O-N 3.17Å
430	E	24.4	Very low	44.6	Very low	149 Å²	149	103.6 Å²	103.6	70%	0.696	53%	0.529	S	S	*	.			trans	-60.9	110.9	163	-59.8	-179.7	143.4	0	0	109.1	K432	E430-K432 HydrophobicContact CB-CG 4.39Å; E430-K432 PolarHBondContact O-N 3.22Å; E430-K432 WeakPolarHBondContact OE2-CE 3.25Å; E430-K432 IonicContact OE2-NZ 3.44Å; E430-K432 PolarHBondContact OE2-NZ 2.83Å
431	L	29.6	Very low	41.6	Very low	117 Å²	117	108.9 Å²	108.9	61%	0.613	57%	0.566	S	S	*	*			trans	-76.2	79.1	167.4	-91.9	167.9	0	0	0	109.5	R429 S433 Y434	R429-L431 PolarHBondContact O-N 2.97Å; R429-L431 VanDerWaalsContact O-N 3.17Å; L431-S433 PolarHBondContact O-N 2.92Å; L431-Y434 HydrophobicContact CD2-CD2 4.24Å; L431-Y434 HydrophobicContact CD2-CE2 3.9Å
432	K	26.7	Very low	39	Very low	153 Å²	153	113.2 Å²	113.2	67%	0.665	59%	0.589	S	S	*	*			trans	-61.4	119.4	168.3	-73.8	174.2	175.3	148.3	0	109.3	E430	E430-K432 HydrophobicContact CB-CG 4.39Å; E430-K432 PolarHBondContact O-N 3.22Å; E430-K432 WeakPolarHBondContact OE2-CE 3.25Å; E430-K432 IonicContact OE2-NZ 3.44Å; E430-K432 PolarHBondContact OE2-NZ 2.83Å
433	S	24.4	Very low	36.5	Very low	93 Å²	93	121.4 Å²	121.4	65%	0.65	63%	0.627	S	S	*	*			trans	46.5	88.2	158.8	59.3	0	0	0	0	117.3	L431	L431-S433 PolarHBondContact O-N 2.92Å
434	Y	27	Very low	34.3	Very low	171 Å²	171	130 Å²	130	67%	0.671	67%	0.667	S	S	*	*			trans	-98.4	66.6	144.8	-79.8	-69.4	0	0	0	109.9	L431 L436	L431-Y434 HydrophobicContact CD2-CD2 4.24Å; L431-Y434 HydrophobicContact CD2-CE2 3.9Å; Y434-L436 VanDerWaalsContact C-N 3.26Å; Y434-L436 PolarHBondContact O-N 3.45Å
435	N	24.3	Very low	32.3	Very low	152 Å²	152	134.6 Å²	134.6	81%	0.813	69%	0.692	S	S	*	*			trans	-74.4	83.2	165.8	-79.4	-8.6	0	0	0	108.5	S437	N435-S437 PolarHBondContact O-N 3.22Å
436	L	29.8	Very low	31	Very low	155 Å²	155	137.5 Å²	137.5	81%	0.812	70%	0.704	S	S	*	*			trans	-72.4	109.9	163	-111.7	72.1	0	0	0	108.3	Y434 R438	Y434-L436 VanDerWaalsContact C-N 3.26Å; Y434-L436 PolarHBondContact O-N 3.45Å; L436-R438 PolarHBondContact O-N 2.66Å
437	S	26.5	Very low	30.2	Very low	100 Å²	100	140.4 Å²	140.4	70%	0.699	73%	0.726	S	S	*	*			trans	-39.7	112.1	-179.5	50.7	0	0	0	0	114.3	N435 Q439	N435-S437 PolarHBondContact O-N 3.22Å; S437-Q439 PolarHBondContact O-N 3Å
438	R	27.1	Very low	29.8	Very low	242 Å²	242	143.2 Å²	143.2	91%	0.913	73%	0.734	S	S	*	*			trans	-71.8	115.4	138.2	-85.7	-170.7	172.2	-167.8	-3.1	107.1	L436 S440	L436-R438 PolarHBondContact O-N 2.66Å; R438-S440 VanDerWaalsContact C-N 3.31Å; R438-S440 PolarHBondContact O-N 3.4Å
439	Q	28.6	Very low	29.4	Very low	184 Å²	184	143.7 Å²	143.7	86%	0.86	73%	0.733	S	S	*	*			trans	-66.4	97.6	160.1	-73.2	173.2	-56.1	0	0	107.2	S437 S441	S437-Q439 PolarHBondContact O-N 3Å; Q439-S441 PolarHBondContact O-N 3.03Å
440	S	29.3	Very low	29.4	Very low	92 Å²	92	140.4 Å²	140.4	64%	0.643	74%	0.741	S	S	*	*			trans	-76.8	97	162.6	-151	0	0	0	0	106.1	R438 N442	R438-S440 VanDerWaalsContact C-N 3.31Å; R438-S440 PolarHBondContact O-N 3.4Å; S440-N442 PolarHBondContact O-N 3.02Å; S440-N442 PolarHBondContact OG-OD1 3.08Å
441	S	29.2	Very low	29.8	Very low	111 Å²	111	137.7 Å²	137.7	78%	0.776	74%	0.739	S	S	*	*			trans	-72.3	68.4	169.9	56.5	0	0	0	0	109.3	Q439 E443	Q439-S441 PolarHBondContact O-N 3.03Å; S441-E443 VanDerWaalsContact C-N 3.31Å
442	N	33.3	Very low	29.9	Very low	133 Å²	133	139.7 Å²	139.7	71%	0.711	75%	0.75	S	S	*	*			trans	-97.5	67.7	164.9	-68.4	54.6	0	0	0	106.7	S440	S440-N442 PolarHBondContact O-N 3.02Å; S440-N442 PolarHBondContact OG-OD1 3.08Å
443	E	34.3	Very low	30	Very low	174 Å²	174	139.6 Å²	139.6	81%	0.813	76%	0.756	S	S	*	*			trans	-65.9	160.5	152.1	-62	-173.7	134.7	0	0	108	S441	S441-E443 VanDerWaalsContact C-N 3.31Å
444	E	35.5	Very low	30.5	Very low	179 Å²	179	142.6 Å²	142.6	84%	0.836	76%	0.76	S	S	*	*			trans	65.1	112.3	179.8	-66.4	-169.7	175.2	0	0	115.1
445	L	34.2	Very low	30.6	Very low	134 Å²	134	140.4 Å²	140.4	70%	0.702	76%	0.764	S	S	*	*			cis	-145.4	145.9	5.5	-78.4	162.2	0	0	0	111.7
446	N	32.2	Very low	30.9	Very low	127 Å²	127	141.6 Å²	141.6	68%	0.679	77%	0.765	S	S	*	*			trans	50	107.4	140	-57.1	-9	0	0	0	118.3
447	S	31.3	Very low	30.9	Very low	96 Å²	96	139.8 Å²	139.8	67%	0.671	76%	0.761	S	S	*	*				63.8	132.5	75.4	84.4	0	0	0	0	113.5
448	L	30.3	Very low	31.1	Very low	151 Å²	151	143.9 Å²	143.9	79%	0.791	77%	0.766	S	S	*	*			cis	-147.7	152.9	30.9	-79	167.9	0	0	0	113.9
449	V	29.8	Very low	31.3	Very low	103 Å²	103	138.6 Å²	138.6	62%	0.624	76%	0.756	S	S	*	*			trans	47.2	124.6	137.1	-178.5	0	0	0	0	120.2
450	S	29.2	Very low	31.3	Very low	132 Å²	132	136.1 Å²	136.1	92%	0.923	75%	0.753	S	S	*	*			trans	-146.5	81.2	136.2	-77.4	0	0	0	0	108.8
451	S	33.7	Very low	31.3	Very low	93 Å²	93	136.6 Å²	136.6	65%	0.65	75%	0.752	S	S	*	*			trans	-143.4	128.9	176.5	57.8	0	0	0	0	109.1
452	D	30.8	Very low	31.2	Very low	158 Å²	158	141.6 Å²	141.6	85%	0.845	76%	0.756	S	S	*	*			trans	-48.5	142.2	-166.3	-48	-73.7	0	0	0	116.8
453	L	30.1	Very low	31.1	Very low	152 Å²	152	141.1 Å²	141.1	80%	0.796	76%	0.758	S	S	*	*			trans	-153.4	121.5	142.6	-139.2	77.2	0	0	0	114
454	Q	33.3	Very low	30.9	Very low	156 Å²	156	135.9 Å²	135.9	73%	0.729	75%	0.75	S	S	*	*			trans	36.1	114.2	138.3	-62.7	172.3	2.6	0	0	121.1
455	T	30.6	Very low	30.9	Very low	125 Å²	125	134.5 Å²	134.5	77%	0.767	75%	0.747	S	S	*	*				24.4	120.3	126.2	54.9	0	0	0	0	121.2
456	Q	29.4	Very low	30.8	Very low	177 Å²	177	133.8 Å²	133.8	83%	0.827	74%	0.744	S	S	*	*			trans	77	130	145.6	-68.4	-169.9	-2.7	0	0	121.7
457	T	30.1	Very low	31.1	Very low	117 Å²	117	135.5 Å²	135.5	72%	0.718	75%	0.745	S	S	*	*			trans	66.3	89.4	148.5	55.5	0	0	0	0	120.5
458	K	31.8	Very low	31.3	Very low	186 Å²	186	136.2 Å²	136.2	81%	0.809	74%	0.742	S	S	*	*				178.1	137.7	93.8	-95.6	163.9	-176.4	172.6	0	114.5
459	N	30.6	Very low	31.9	Very low	131 Å²	131	134.8 Å²	134.8	70%	0.701	74%	0.735	S	S	*	*			trans	46.1	126.6	140.7	-56	8.1	0	0	0	122
460	T	29.1	Very low	32.4	Very low	131 Å²	131	135.3 Å²	135.3	80%	0.804	73%	0.734	S	S	*	*			trans	66	146	136.3	56.4	0	0	0	0	119.3
461	T	27.9	Very low	32.9	Very low	102 Å²	102	133.9 Å²	133.9	63%	0.626	72%	0.716	S	S	*	*			cis	-167.2	130.4	-5.5	-107.4	0	0	0	0	110.1
462	Y	27.2	Very low	33.2	Very low	217 Å²	217	134.9 Å²	134.9	85%	0.851	71%	0.714	S	S	*	*			trans	60.8	161.2	159.7	-71.8	-142.2	0	0	0	116.2
463	T	31.1	Very low	33.7	Very low	123 Å²	123	132.6 Å²	132.6	76%	0.755	70%	0.702	S	S	*	*			cis	-112.5	160.3	-17.9	40.6	0	0	0	0	107.3
464	G	31	Very low	34	Very low	63 Å²	63	131.1 Å²	131.1	65%	0.649	70%	0.695	S	S	*	*				69.3	128.9	58.2	0	0	0	0	0	109.6
465	I	34.4	Very low	34.1	Very low	150 Å²	150	129.5 Å²	129.5	77%	0.769	69%	0.691	S	S	*	*			cis	-150	134.7	19.8	-105.9	165.5	0	0	0	106.4
466	N	33.6	Very low	34.3	Very low	120 Å²	120	131.2 Å²	131.2	64%	0.642	69%	0.688	S	S	*	*				56.3	136.1	88.4	-85.5	-15.4	0	0	0	112.3
467	K	37	Very low	34.5	Very low	162 Å²	162	129.9 Å²	129.9	70%	0.704	68%	0.681	S	S	*	*			cis	-176.4	-172.8	0.7	-137.8	171.2	-171.4	-172.5	0	110.1
468	N	37.4	Very low	34.5	Very low	112 Å²	112	130.9 Å²	130.9	60%	0.599	68%	0.681	S	S	*	*			trans	83.5	121.8	144.4	-83.2	31.4	0	0	0	116.9
469	D	41.3	Very low	34.5	Very low	121 Å²	121	126.8 Å²	126.8	65%	0.647	68%	0.676	S	S	*	*				79.1	143.3	58.4	-73.9	27.7	0	0	0	109.5
470	N	40.7	Very low	34.6	Very low	113 Å²	113	129.5 Å²	129.5	60%	0.604	68%	0.684	S	S	*	*			cis	-167.4	175.6	14.4	-118	-19.5	0	0	0	107
471	N	39.9	Very low	34.9	Very low	103 Å²	103	128.2 Å²	128.2	55%	0.551	68%	0.678	S	S	*	*			cis	-167.1	170.3	4.2	-136.2	-27.6	0	0	0	109.3
472	N	40.1	Very low	34.9	Very low	113 Å²	113	129.6 Å²	129.6	60%	0.604	68%	0.682	S	S	*	*			trans	61.4	148	140.2	-67.6	-22.3	0	0	0	120.2
473	N	40.5	Very low	35.1	Very low	111 Å²	111	125.2 Å²	125.2	59%	0.594	67%	0.673	S	S	*	*			cis	-167	161.9	-7.3	-116.7	-23.3	0	0	0	110.7
474	N	38.2	Very low	34.8	Very low	121 Å²	121	128.1 Å²	128.1	65%	0.647	68%	0.676	S	S	*	*			trans	39.7	140.2	133.1	-57.8	-25.2	0	0	0	120.7
475	N	35.1	Very low	34.8	Very low	121 Å²	121	130.7 Å²	130.7	65%	0.647	68%	0.684	S	S	*	*			cis	-172.6	166.9	2.4	-122.7	-38.3	0	0	0	111.4
476	K	34.8	Very low	34.5	Very low	162 Å²	162	133.2 Å²	133.2	70%	0.704	69%	0.685	S	S	*	*			trans	60.5	120.9	142.5	-74.2	177.3	172.3	-172.7	0	122.1
477	H	32.4	Very low	34.4	Very low	148 Å²	148	135.9 Å²	135.9	69%	0.685	69%	0.693	S	S	*	*				80.3	126.5	122.8	-75	-48.8	0	0	0	123.6
478	I	30.5	Very low	34.1	Very low	138 Å²	138	135.5 Å²	135.5	71%	0.708	70%	0.698	S	S	*	*				82.1	149.2	128.1	-68.1	169.1	0	0	0	118.6
479	S	32.3	Very low	33.8	Very low	100 Å²	100	135.5 Å²	135.5	70%	0.699	70%	0.704	S	S	*	*			trans	66.9	120.7	173.9	35.6	0	0	0	0	116
480	Q	33.1	Very low	33.3	Very low	189 Å²	189	134.3 Å²	134.3	88%	0.883	71%	0.705	S	S	*	*				83.7	155	67.2	-96	-167.4	-12.6	0	0	112.5
481	P	34.3	Very low	32.8	Very low	103 Å²	103	135.3 Å²	135.3	67%	0.669	71%	0.71	S	S	*	*				-121.7	-164.4	-125.1	30.7	-9.5	0	0	0	113.3
482	N	28.6	Very low	32.4	Very low	132 Å²	132	136.7 Å²	136.7	71%	0.706	72%	0.718	S	S	*	*			trans	110.1	132.1	158.6	-61.6	4.2	0	0	0	116.8
483	D	29.9	Very low	31.8	Very low	125 Å²	125	136 Å²	136	67%	0.668	72%	0.721	S	S	*	*			trans	66	123.5	135.9	-58.8	-23.4	0	0	0	123
484	F	26	Very low	31.4	Very low	184 Å²	184	137.2 Å²	137.2	81%	0.807	73%	0.726	S	S	*	*			trans	28.3	114.8	133.1	-61.4	-88.7	0	0	0	119.1
485	S	31.2	Very low	30.9	Very low	117 Å²	117	137.9 Å²	137.9	82%	0.818	73%	0.73	S	S	*	*				-164.3	157	107.3	37.3	0	0	0	0	112.5
486	Y	28.4	Very low	30.7	Very low	202 Å²	202	137.7 Å²	137.7	79%	0.792	73%	0.733	S	S	*	*			trans	-69.1	152	165.6	-55.6	-96.9	0	0	0	110
487	H	29.9	Very low	30.4	Very low	176 Å²	176	136 Å²	136	82%	0.815	74%	0.736	S	S	*	*				-179	157.2	111.1	-103.3	-72.8	0	0	0	115.5
488	L	30.9	Very low	30.2	Very low	155 Å²	155	133.8 Å²	133.8	81%	0.812	74%	0.737	S	S	*	*			trans	73.5	147.1	162.7	-97.3	67.4	0	0	0	119.5
489	P	32.3	Very low	30.1	Very low	112 Å²	112	132.8 Å²	132.8	73%	0.727	74%	0.737	S	S	*	*			trans	-120.1	-153.2	-174.5	46	-32	0	0	0	112.1
490	S	29.5	Very low	29.9	Very low	95 Å²	95	133.8 Å²	133.8	66%	0.664	74%	0.74	S	S	*	*			trans	77.9	127	160	41.4	0	0	0	0	119.1
491	D	31	Very low	29.7	Very low	134 Å²	134	130.2 Å²	130.2	72%	0.717	73%	0.731	S	S	*	*			trans	87.6	105.8	138.2	-68.1	19.5	0	0	0	121.3
492	N	31.2	Very low	29.3	Very low	133 Å²	133	131.4 Å²	131.4	71%	0.711	74%	0.736	S	S	*	*				83.7	110.7	125.1	-68.7	-32.7	0	0	0	120.4
493	C	27.7	Very low	29.4	Very low	99 Å²	99	130.4 Å²	130.4	67%	0.669	74%	0.735	S	S	*	*				102.4	120.8	120.5	-76.8	0	0	0	0	120.5
494	I	31.3	Very low	29.3	Very low	135 Å²	135	130 Å²	130	69%	0.692	74%	0.737	S	S	*	*				81.1	95.8	127	-65.3	172.4	0	0	0	117.1
495	N	28.8	Very low	29.6	Very low	136 Å²	136	127.8 Å²	127.8	73%	0.727	74%	0.739	S	S	*	*				89.8	132.2	125.9	-72.1	5.6	0	0	0	123.5
496	T	30.2	Very low	29.3	Very low	117 Å²	117	128.6 Å²	128.6	72%	0.718	73%	0.734	S	S	*	*			trans	85.5	94	133.2	49.1	0	0	0	0	122.8
497	V	28.7	Very low	29.5	Very low	126 Å²	126	128.2 Å²	128.2	76%	0.764	74%	0.739	S	S	*	*				55.1	143.2	125.8	-147.2	0	0	0	0	121.3
498	S	28.9	Very low	29.2	Very low	102 Å²	102	124.7 Å²	124.7	71%	0.713	73%	0.734	S	S	*	*			trans	92.4	137.2	156	-43.1	0	0	0	0	116.7
499	T	27.5	Very low	29.2	Very low	116 Å²	116	125.4 Å²	125.4	71%	0.712	74%	0.737	S	S	*	*			cis	-176.6	166.9	-39.1	17.5	0	0	0	0	107.4
500	T	29.4	Very low	29	Very low	122 Å²	122	126 Å²	126	75%	0.748	74%	0.739	S	S	*	*			trans	64.8	145.9	157.1	46.1	0	0	0	0	119.7
501	T	28.1	Very low	28.9	Very low	113 Å²	113	129 Å²	129	69%	0.693	75%	0.747	S	S	*	*			cis	-175.4	168.1	-38.5	19.3	0	0	0	0	110.2
502	T	26.6	Very low	28.7	Very low	128 Å²	128	126.5 Å²	126.5	79%	0.785	74%	0.74	S	S	*	*			trans	74	163.1	167.1	84.5	0	0	0	0	115.7
503	T	29.4	Very low	28.4	Very low	112 Å²	112	129.2 Å²	129.2	69%	0.687	75%	0.746	S	S	*	*			cis	-137.9	125	3.3	16.4	0	0	0	0	108.9
504	T	29.3	Very low	28.5	Very low	115 Å²	115	132.4 Å²	132.4	71%	0.706	76%	0.755	S	S	*	*				46.7	120.8	101.9	65.6	0	0	0	0	118.5
505	V	30.7	Very low	28.2	Very low	139 Å²	139	132.6 Å²	132.6	84%	0.842	76%	0.762	S	S	*	*			trans	-134.7	139	148.5	178.1	0	0	0	0	108.2
506	N	26.6	Very low	28.2	Very low	134 Å²	134	131.6 Å²	131.6	72%	0.717	77%	0.766	S	S	*	*			trans	-97.6	164.9	-178.6	-53.4	-52.6	0	0	0	111.2
507	H	31.4	Very low	28	Very low	194 Å²	194	133 Å²	133	90%	0.898	77%	0.769	S	S	*	*			trans	-147.7	145.7	136	-100.8	-66.6	0	0	0	111.2
508	S	24.7	Very low	28	Very low	102 Å²	102	134.3 Å²	134.3	71%	0.713	77%	0.77	S	S	*	*			trans	-135.4	143	-174.4	48.8	0	0	0	0	110
509	I	30.2	Very low	27.9	Very low	170 Å²	170	135.6 Å²	135.6	87%	0.872	77%	0.769	S	S	*	*			trans	-132.5	127.4	161.5	-61.8	-177.1	0	0	0	107.8
510	T	27.4	Very low	28	Very low	125 Å²	125	136.8 Å²	136.8	77%	0.767	77%	0.771	S	S	*	*			trans	-102.4	145.9	169.6	48.2	0	0	0	0	108.7
511	D	28.6	Very low	27.9	Very low	156 Å²	156	136.3 Å²	136.3	83%	0.834	77%	0.773	S	S	*	*			trans	-150.3	165	152.3	-123.4	-35.4	0	0	0	112.7
512	S	26.7	Very low	27.7	Very low	82 Å²	82	136.8 Å²	136.8	57%	0.573	78%	0.78	S	S	*	*			trans	-153.3	158.5	-153.6	61.1	0	0	0	0	116.3
513	F	24.6	Very low	27.6	Very low	191 Å²	191	138.9 Å²	138.9	84%	0.838	79%	0.785	S	S	*	*			trans	62.9	130.6	171.2	-57.2	-79.3	0	0	0	118.8
514	I	30	Very low	27.3	Very low	166 Å²	166	138.1 Å²	138.1	85%	0.851	78%	0.782	S	S	*	*				-171.6	148.4	114.2	-95.8	158	0	0	0	109
515	T	25.2	Very low	27.1	Very low	138 Å²	138	140.4 Å²	140.4	85%	0.847	79%	0.785	S	S	*	*			trans	-115.6	129.7	-177	43.7	0	0	0	0	112.3
516	S	28.8	Very low	26.8	Very low	115 Å²	115	139.5 Å²	139.5	80%	0.804	78%	0.779	S	S	*	*			trans	-163.1	147.6	153.6	53.9	0	0	0	0	112.5
517	N	24.9	Very low	26.6	Very low	148 Å²	148	137.6 Å²	137.6	79%	0.791	77%	0.773	S	S	*	*			trans	-57.5	152	176.4	-53.7	-45.1	0	0	0	112.8
518	I	29.9	Very low	26.3	Very low	153 Å²	153	130.1 Å²	130.1	79%	0.785	74%	0.74	S	S	*	*				-162.3	115.4	114.9	-98.1	153.3	0	0	0	110.6
519	N	26.5	Very low	26.3	Very low	128 Å²	128	126.1 Å²	126.1	68%	0.684	71%	0.712	S	S	*	*			trans	44	131.5	143.9	-54.2	-11.7	0	0	0	122.8
520	N	29.2	Very low	26.1	Very low	141 Å²	141	120.4 Å²	120.4	75%	0.754	69%	0.685	S	S	*	*			trans	80.6	79.5	138.5	-61.2	0	0	0	0	119.6
521	S	27.5	Very low	26	Very low	112 Å²	112	116.3 Å²	116.3	78%	0.783	66%	0.664	S	S	*	*				61.6	68.3	121	64.1	0	0	0	0	117.6	L523	S521-L523 PolarHBondContact O-N 3.42Å
522	C	23.8	Very low	25.8	Very low	124 Å²	124	111.7 Å²	111.7	84%	0.838	65%	0.653	S	S	*	*			trans	-53.5	114.7	146.3	-64.1	0	0	0	0	110.1
523	L	24.5	Very low	25.6	Very low	171 Å²	171	111.8 Å²	111.8	90%	0.895	65%	0.654	S	S	*	*			trans	-179.9	76.6	142.4	-100.4	165.2	0	0	0	113.4	S521	S521-L523 PolarHBondContact O-N 3.42Å
524	P	23.4	Very low	25.5	Very low	97 Å²	97	107.4 Å²	107.4	63%	0.63	64%	0.642	S	S	*	*			trans	-101.3	165.3	147.6	37.7	-30.8	0	0	0	110.2
525	Q	24.8	Very low	25.3	Very low	163 Å²	163	105 Å²	105	76%	0.762	63%	0.629	S	S	*	*			cis	-152.2	136.9	-32.7	-107.3	144.4	9.3	0	0	103.6
526	T	23.2	Very low	25.2	Very low	119 Å²	119	105 Å²	105	73%	0.73	62%	0.623	S	S	*	*				58.4	160.9	86.5	-25.5	0	0	0	0	114.2
527	V	23.8	Very low	25	Very low	95 Å²	95	103.1 Å²	103.1	58%	0.576	61%	0.609	S	S	*	*			trans	79	108.4	156.3	167.6	0	0	0	0	117.5
528	T	25.4	Very low	25.1	Very low	36 Å²	36	100.2 Å²	100.2	22%	0.221	59%	0.591	C	S	.	*			trans	54.6	134.1	139	71.9	0	0	0	0	121.5	R248 E376	R248-T528 WeakPolarHBondContact CD-O 3.41Å; R248-T528 PolarHBondContact NE-O 3.18Å; E376-T528 HydrophobicContact CB-CG2 4.33Å; E376-T528 HydrophobicContact CG-CG2 4.16Å
529	T	23.6	Very low	24.8	Very low	18 Å²	18	101.6 Å²	101.6	11%	0.11	59%	0.594	C	S	.	*				-109.9	144.2	126.2	2.3	0	0	0	0	106.4	I246 R248 K370 D371 D375	I246-T529 HydrophobicContact CB-CG2 4.12Å; I246-T529 HydrophobicContact CD1-CG2 4.23Å; I246-T529 HydrophobicContact CG2-CG2 4.31Å; R248-T529 HydrophobicContact CG-CG2 4.38Å; K370-T529 HydrophobicContact CG-CG2 4.23Å; D371-T529 PolarHBondContact N-O 3.42Å; D371-T529 VanDerWaalsContact N-O 3.08Å; D375-T529 WeakPolarHBondContact CB-O 3.35Å; D375-T529 WeakPolarHBondContact OD1-CB 3.47Å; D375-T529 PolarHBondContact OD1-N 3.01Å; D375-T529 PolarHBondContact OD1-OG1 3.03Å; D375-T529 WeakPolarHBondContact OD2-CB 3.4Å; D375-T529 VanDerWaalsContact OD2-O 3.14Å; D375-T529 PolarHBondContact OD2-OG1 3.47Å; D375-T529 VanDerWaalsContact OD2-OG1 3.05Å
530	T	26.7	Very low	24.8	Very low	50 Å²	50	96.4 Å²	96.4	31%	0.307	57%	0.567	S	S	.	*			cis	143.9	8	14.6	93.6	0	0	0	0	115.8	K370 D371	K370-T530 WeakPolarHBondContact CD-O 3.4Å; K370-T530 VanDerWaalsContact CE-C 3.44Å; K370-T530 WeakPolarHBondContact CE-O 3.37Å; K370-T530 VanDerWaalsContact CG-C 3.47Å; K370-T530 PolarHBondContact NZ-O 2.85Å; D371-T530 VanDerWaalsContact CG-N 3.26Å; D371-T530 WeakPolarHBondContact OD1-CG2 3.41Å; D371-T530 PolarHBondContact OD1-N 3.22Å; D371-T530 VanDerWaalsContact OD2-C 3.31Å; D371-T530 WeakPolarHBondContact OD2-CG2 3.2Å
531	A	25.5	Very low	25	Very low	40 Å²	40	91.9 Å²	91.9	33%	0.331	55%	0.546	S	S	.	.			trans	71.3	118.4	178.3	0	0	0	0	0	119.8	K370 D371 S533	K370-A531 WeakPolarHBondContact CD-O 3.43Å; K370-A531 CarbonylContact O-C 3.31Å; K370-A531 VanDerWaalsContact O-C 3.31Å; K370-A531 WeakPolarHBondContact O-CA 3.42Å; D371-A531 HydrophobicContact CB-CB 4.17Å; D371-A531 VanDerWaalsContact CB-N 3.3Å; D371-A531 WeakPolarHBondContact OD2-CA 3.5Å; D371-A531 VanDerWaalsContact OD2-CB 3.27Å; D371-A531 WeakPolarHBondContact OD2-CB 3.42Å; D371-A531 PolarHBondContact OD2-N 3.11Å; A531-S533 VanDerWaalsContact O-CB 3.23Å; A531-S533 WeakPolarHBondContact O-CB 3.34Å; A531-S533 PolarHBondContact O-N 3.14Å
532	G	23.3	Very low	25.1	Very low	58 Å²	58	91 Å²	91	60%	0.598	53%	0.532	S	S	*	.	S	Bend		17.6	75.2	121.2	0	0	0	0	0	115	K370	K370-G532 PolarHBondContact O-N 3.29Å
533	S	22.7	Very low	25.5	Very low	85 Å²	85	85.8 Å²	85.8	59%	0.594	50%	0.496	S	S	*	.			trans	-155.5	134.1	-176.8	-167.1	0	0	0	0	109.9	A531	A531-S533 VanDerWaalsContact O-CB 3.23Å; A531-S533 WeakPolarHBondContact O-CB 3.34Å; A531-S533 PolarHBondContact O-N 3.14Å
534	V	23.2	Very low	26.1	Very low	99 Å²	99	83 Å²	83	60%	0.6	48%	0.478	S	S	*	.			trans	24.7	115.2	133.9	-171.3	0	0	0	0	116.1	L536	V534-L536 HydrophobicContact CG1-CB 3.73Å; V534-L536 HydrophobicContact CG1-CD1 4.08Å; V534-L536 HydrophobicContact CG1-CG 3.86Å
535	M	25.1	Very low	26.9	Very low	114 Å²	114	82.1 Å²	82.1	56%	0.562	47%	0.474	S	S	*	.				-122.5	87.7	120.7	-75.3	-151.2	92.2	0	0	110.1	S244 C537	S244-M535 PolarHBondContact OG-SD 3.05Å; M535-C537 PolarHBondContact O-N 3.01Å
536	L	22.5	Very low	27.7	Very low	138 Å²	138	79.2 Å²	79.2	72%	0.723	46%	0.463	S	S	*	.				-49	94.9	124.6	-68.6	168.7	0	0	0	106.8	V534 E538	V534-L536 HydrophobicContact CG1-CB 3.73Å; V534-L536 HydrophobicContact CG1-CD1 4.08Å; V534-L536 HydrophobicContact CG1-CG 3.86Å; L536-E538 PolarHBondContact O-N 2.86Å; L536-E538 VanDerWaalsContact O-N 3.08Å
537	C	26.5	Very low	28.3	Very low	77 Å²	77	80.2 Å²	80.2	52%	0.52	46%	0.463	S	S	.	.			trans	-73.7	87.7	159.2	-74.6	0	0	0	0	106.2	M535	M535-C537 PolarHBondContact O-N 3.01Å
538	E	25	Very low	28.8	Very low	86 Å²	86	83.5 Å²	83.5	40%	0.402	47%	0.472	S	S	.	.			trans	-53	142.2	168.4	-61.4	-174	116.3	0	0	109.1	H207 S209 L536 C540	H207-E538 IonicContact CE1-OE1 2.95Å; H207-E538 PolarHBondContact CE1-OE1 3.03Å; H207-E538 IonicContact CG-OE1 2.6Å; H207-E538 IonicContact ND1-OE1 2.88Å; H207-E538 PolarHBondContact ND1-OE1 3.15Å; S209-E538 WeakPolarHBondContact CB-OE2 3.31Å; S209-E538 PolarHBondContact OG-OE2 3.15Å; L536-E538 PolarHBondContact O-N 2.86Å; L536-E538 VanDerWaalsContact O-N 3.08Å; E538-C540 VanDerWaalsContact C-N 3.26Å; E538-C540 VanDerWaalsContact C-SG 3.51Å; E538-C540 WeakPolarHBondContact O-CB 3.31Å; E538-C540 PolarHBondContact O-N 3.02Å
539	E	24	Very low	29.1	Very low	182 Å²	182	89.1 Å²	89.1	85%	0.85	50%	0.501	S	S	*	.			trans	-76	70.5	-166.5	-67.3	-160.1	111.6	0	0	113.2
540	C	27.5	Very low	29.4	Very low	19 Å²	19	96.3 Å²	96.3	13%	0.128	54%	0.538	C	S	.	.			trans	-116.1	41.7	-152.3	-75.7	0	0	0	0	115	S209 I210 S211 E538	S209-C540 PolarHBondContact N-SG 3.39Å; S209-C540 VanDerWaalsContact N-SG 3.38Å; S209-C540 VanDerWaalsContact O-CB 3.31Å; S209-C540 WeakPolarHBondContact O-CB 3.47Å; S209-C540 PolarHBondContact O-SG 2.87Å; S209-C540 VanDerWaalsContact O-SG 3.38Å; S209-C540 PolarHBondContact OG-SG 3.4Å; I210-C540 WeakPolarHBondContact CA-O 3.45Å; I210-C540 WeakPolarHBondContact CG2-O 3.42Å; S211-C540 PolarHBondContact N-O 2.84Å; E538-C540 VanDerWaalsContact C-N 3.26Å; E538-C540 VanDerWaalsContact C-SG 3.51Å; E538-C540 WeakPolarHBondContact O-CB 3.31Å; E538-C540 PolarHBondContact O-N 3.02Å
541	C	32.4	Very low	29.7	Very low	46 Å²	46	101.3 Å²	101.3	31%	0.311	56%	0.563	S	S	.	*			trans	-158.3	65	168.5	-107.1	0	0	0	0	113
542	I	29.8	Very low	30	Very low	93 Å²	93	108.1 Å²	108.1	48%	0.477	59%	0.588	S	S	.	*			trans	-111.7	135.6	166.2	-61.6	179.1	0	0	0	109	R160 E544	R160-I542 PolarHBondContact NH1-O 2.93Å; R160-I542 PolarHBondContact NH2-O 2.94Å; I542-E544 PolarHBondContact O-N 3.15Å
543	D	32.3	Very low	30.4	Very low	16 Å²	16	111 Å²	111	9%	0.086	59%	0.594	C	S	.	*			trans	-74.6	100.6	163.4	-90.6	-3.4	0	0	0	107.9	R131 N157 R160 S545 I546	R131-D543 IonicContact CZ-OD2 3.69Å; R131-D543 IonicContact NH1-OD2 3.71Å; R131-D543 PolarHBondContact NH1-OD2 2.81Å; N157-D543 PolarHBondContact ND2-OD2 2.59Å; R160-D543 WeakPolarHBondContact CD-OD1 3.19Å; R160-D543 IonicContact CZ-OD1 3.38Å; R160-D543 IonicContact NE-OD1 3.82Å; R160-D543 IonicContact NH1-OD1 2.78Å; R160-D543 PolarHBondContact NH1-OD1 3Å; D543-S545 PolarHBondContact O-N 2.85Å; D543-S545 VanDerWaalsContact O-N 3.08Å; D543-I546 HydrophobicContact CB-CD1 3.95Å; D543-I546 HydrophobicContact CB-CG1 4.45Å; D543-I546 VanDerWaalsContact O-CB 3.29Å; D543-I546 WeakPolarHBondContact O-CB 3.14Å; D543-I546 WeakPolarHBondContact O-CG1 3.36Å; D543-I546 PolarHBondContact O-N 3.49Å
544	E	37.3	Very low	30.8	Very low	111 Å²	111	113.6 Å²	113.6	52%	0.519	60%	0.601	S	S	.	*	S	Bend	trans	-58.1	-24.4	-169.9	-156.5	160	-152.3	0	0	113.2	R160 I542 I546 L547	R160-E544 IonicContact NH2-OE2 3.72Å; I542-E544 PolarHBondContact O-N 3.15Å; E544-I546 PolarHBondContact O-N 2.87Å; E544-L547 PolarHBondContact O-N 2.88Å
545	S	41.4	Very low	31.1	Very low	79 Å²	79	115 Å²	115	55%	0.552	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	33.9	167.9	81.2	0	0	0	0	114	D543	D543-S545 PolarHBondContact O-N 2.85Å; D543-S545 VanDerWaalsContact O-N 3.08Å
546	I	40.2	Very low	31.3	Very low	102 Å²	102	117.5 Å²	117.5	52%	0.523	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-129.7	-10.2	176.7	-62.2	175.1	0	0	0	110.6	D543 E544	D543-I546 HydrophobicContact CB-CD1 3.95Å; D543-I546 HydrophobicContact CB-CG1 4.45Å; D543-I546 VanDerWaalsContact O-CB 3.29Å; D543-I546 WeakPolarHBondContact O-CB 3.14Å; D543-I546 WeakPolarHBondContact O-CG1 3.36Å; D543-I546 PolarHBondContact O-N 3.49Å; E544-I546 PolarHBondContact O-N 2.87Å
547	L	35.6	Very low	31.7	Very low	140 Å²	140	118.8 Å²	118.8	73%	0.733	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	-6.1	175.3	-74.5	167.3	0	0	0	114.4	E544	E544-L547 PolarHBondContact O-N 2.88Å
548	H	35.2	Very low	31.8	Very low	164 Å²	164	118.6 Å²	118.6	76%	0.759	63%	0.632	S	S	*	*	S	Bend	trans	-135.8	94.3	168.7	-74.2	-43.7	0	0	0	110.7
549	N	31.3	Very low	32	Very low	155 Å²	155	122.7 Å²	122.7	83%	0.829	66%	0.657	S	S	*	*			trans	179.9	63.6	146.5	-98.2	5.1	0	0	0	110.4
550	D	29.9	Very low	32.3	Very low	169 Å²	169	117 Å²	117	90%	0.904	65%	0.647	S	S	*	*			trans	-107.7	67.8	162.7	-84.9	-44.5	0	0	0	109.1
551	N	32.4	Very low	32.2	Very low	154 Å²	154	120.8 Å²	120.8	82%	0.824	67%	0.674	S	S	*	*			trans	-143.6	147.2	161.3	-94.8	-41	0	0	0	107
552	E	32.4	Very low	32.4	Very low	183 Å²	183	121 Å²	121	86%	0.855	67%	0.671	S	S	*	*	S	Bend	trans	69.9	69	-171.9	-52.9	-155.5	144.1	0	0	116.2
553	T	32.2	Very low	32.6	Very low	119 Å²	119	120.6 Å²	120.6	73%	0.73	67%	0.673	S	S	*	*				35	137.6	120.5	50.6	0	0	0	0	121.3
554	N	30	Very low	32.6	Very low	139 Å²	139	127.7 Å²	127.7	74%	0.743	70%	0.699	S	S	*	*			trans	68.4	86.5	152.9	-54.6	-27.8	0	0	0	118.1
555	N	30.3	Very low	32.3	Very low	128 Å²	128	128 Å²	128	68%	0.684	70%	0.695	S	S	*	*				-179.1	144.1	94	-100.2	-83.1	0	0	0	114.2
556	K	29.5	Very low	32	Very low	167 Å²	167	129.6 Å²	129.6	73%	0.726	70%	0.702	S	S	*	*			trans	42.9	131.1	139	-64.8	167.8	-174.1	164.5	0	121.4
557	N	30	Very low	31.4	Very low	166 Å²	166	130.8 Å²	130.8	89%	0.888	70%	0.7	S	S	*	*			trans	81.8	141.1	150.8	-52.5	-22.4	0	0	0	118.6
558	G	28.7	Very low	31.1	Very low	73 Å²	73	131.7 Å²	131.7	75%	0.753	70%	0.704	S	S	*	*			trans	129.5	64.1	137.9	0	0	0	0	0	118.7
559	N	29.5	Very low	30.6	Very low	171 Å²	171	131.7 Å²	131.7	91%	0.914	71%	0.709	S	S	*	*			trans	-9.2	142.5	151.4	-55.3	-23.5	0	0	0	118.5
560	G	29.9	Very low	30.7	Very low	63 Å²	63	130.5 Å²	130.5	65%	0.649	71%	0.707	S	S	*	*			trans	154.9	101.2	143.7	0	0	0	0	0	117	N234	N234-G560 PolarHBondContact ND2-O 2.95Å
561	S	27.1	Very low	30.7	Very low	98 Å²	98	128.8 Å²	128.8	69%	0.685	70%	0.697	S	S	*	*			trans	-116.8	123.8	172.5	54.6	0	0	0	0	112.8
562	I	34.9	Very low	30.9	Very low	50 Å²	50	123.5 Å²	123.5	26%	0.256	68%	0.675	S	S	.	*			trans	-132.7	83.9	170.4	-59	-167.5	0	0	0	106.6	N234	N234-I562 HydrophobicContact CB-CB 3.95Å; N234-I562 PolarHBondContact ND2-N 2.96Å; N234-I562 WeakPolarHBondContact OD1-CB 3.09Å; N234-I562 WeakPolarHBondContact OD1-CD1 3.27Å; N234-I562 WeakPolarHBondContact OD1-CG1 3.35Å
563	T	35.1	Very low	31.1	Very low	85 Å²	85	119.7 Å²	119.7	52%	0.521	67%	0.666	S	S	.	*				72.1	125.3	81.2	66.2	0	0	0	0	114.5	C47 R1064	C47-T563 PolarHBondContact SG-O 2.98Å; T563-R1064 PolarHBondContact OG1-NH1 3.46Å
564	R	31.5	Very low	31.2	Very low	166 Å²	166	115.4 Å²	115.4	63%	0.626	64%	0.64	S	S	*	*			trans	-70.2	145.5	-176.8	-51.6	169.5	-168.4	167.9	3.8	111.7	R45	R45-R564 HydrophobicContact CG-CG 4.28Å
565	R	31.7	Very low	32.1	Very low	116 Å²	116	111 Å²	111	44%	0.438	62%	0.616	S	S	.	*			trans	-105.4	108.4	159.5	-90	-171.4	165.9	113.1	-15.8	106.8	C47 Q49	C47-R565 HydrophobicContact CB-CB 3.89Å; C47-R565 HydrophobicContact CB-CG 4.08Å; C47-R565 PolarHBondContact SG-N 3.2Å; Q49-R565 VanDerWaalsContact CG-NH1 3.34Å
566	T	34.5	Very low	32.8	Very low	114 Å²	114	105.5 Å²	105.5	70%	0.699	59%	0.587	S	S	*	*			trans	-66	146.1	169.9	45.4	0	0	0	0	110.7	D44	D44-T566 VanDerWaalsContact OD2-CA 3.23Å; D44-T566 WeakPolarHBondContact OD2-CA 3.42Å
567	R	28.2	Very low	33.5	Very low	127 Å²	127	104.7 Å²	104.7	48%	0.479	59%	0.59	S	S	.	*			trans	-73.8	161.6	179.8	-69.7	177.9	-168.3	-167.1	-2.8	112.1	Y43 D44	Y43-R567 PolarHBondContact O-NE 2.72Å; Y43-R567 PolarHBondContact O-NH2 3.38Å; D44-R567 WeakPolarHBondContact OD1-CD 3.45Å; D44-R567 WeakPolarHBondContact OD1-CG 3.22Å; D44-R567 IonicContact OD1-NE 2.73Å; D44-R567 PolarHBondContact OD1-NE 3.26Å; D44-R567 PolarHBondContact OD2-N 3.01Å
568	I	28.9	Very low	33.9	Very low	158 Å²	158	98.1 Å²	98.1	81%	0.81	56%	0.555	S	S	*	*	S	Bend	trans	-108.1	131.6	172.5	-72.1	170.5	0	0	0	107.2
569	L	25.5	Very low	34.6	Very low	165 Å²	165	100.6 Å²	100.6	86%	0.864	55%	0.545	S	S	*	.			trans	69.2	82.5	-177.2	-55.9	174.5	0	0	0	116.7
570	T	32.1	Very low	35.5	Very low	129 Å²	129	98.8 Å²	98.8	79%	0.791	53%	0.525	S	S	*	.			trans	-113.5	127.7	142.7	46	0	0	0	0	108.3	A572	T570-A572 PolarHBondContact O-N 3.49Å
571	L	29.5	Very low	36.2	Very low	133 Å²	133	103.1 Å²	103.1	70%	0.696	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-65.9	121.8	167.8	-64.3	171	0	0	0	107.7	W592	L571-W592 HydrophobicContact CD2-CH2 3.56Å; L571-W592 HydrophobicContact CD2-CZ2 3.61Å
572	A	36.9	Very low	37.1	Very low	43 Å²	43	102.6 Å²	102.6	36%	0.355	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-64	146.2	169.5	0	0	0	0	0	109.4	T570	T570-A572 PolarHBondContact O-N 3.49Å
573	P	36.4	Very low	38.4	Very low	103 Å²	103	101.3 Å²	101.3	67%	0.669	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-58.3	149.7	169.7	27.4	-34.5	0	0	0	109.8	I575	P573-I575 PolarHBondContact O-N 3.13Å
574	P	36.2	Very low	40	Very low	29 Å²	29	101.1 Å²	101.1	19%	0.188	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-60.1	133.5	174.3	28	-33.3	0	0	0	108.7	L576 L578	P574-L576 CarbonylContact C-O 3.54Å; P574-L576 VanDerWaalsContact C-O 3.23Å; P574-L576 WeakPolarHBondContact CB-O 3.4Å; P574-L576 VanDerWaalsContact O-O 3.09Å; P574-L578 VanDerWaalsContact CG-O 3.32Å; P574-L578 WeakPolarHBondContact CG-O 3.38Å
575	I	48.9	Very low	42	Very low	48 Å²	48	99.4 Å²	99.4	25%	0.246	52%	0.516	C	S	.	.	S	Bend	trans	-74.8	-32.4	-165.7	-73.8	147.4	0	0	0	111.6	P573 Q591 E595 L656	P573-I575 PolarHBondContact O-N 3.13Å; I575-Q591 HydrophobicContact CD1-CB 4.18Å; I575-Q591 WeakPolarHBondContact CD1-O 3.41Å; I575-E595 HydrophobicContact CD1-CB 3.63Å; I575-E595 HydrophobicContact CD1-CG 4.13Å; I575-L656 HydrophobicContact CG2-CD2 3.31Å
576	L	44.4	Very low	43.7	Very low	12 Å²	12	98.5 Å²	98.5	6%	0.063	52%	0.52	C	S	.	.	S	Bend	trans	-88	144.9	158.5	-55.3	173.8	0	0	0	107.4	P574 L578	P574-L576 CarbonylContact C-O 3.54Å; P574-L576 VanDerWaalsContact C-O 3.23Å; P574-L576 WeakPolarHBondContact CB-O 3.4Å; P574-L576 VanDerWaalsContact O-O 3.09Å; L576-L578 HydrophobicContact CB-CD1 3.93Å; L576-L578 HydrophobicContact CB-CG 3.79Å; L576-L578 HydrophobicContact CD1-CD1 3.98Å; L576-L578 PolarHBondContact O-N 2.74Å
577	N	43.1	Very low	45.5	Very low	149 Å²	149	95.4 Å²	95.4	80%	0.797	50%	0.498	S	S	*	.	S	Bend	trans	-70.8	49	176.9	-84.5	-32.3	0	0	0	113
578	L	39.7	Very low	47.5	Very low	29 Å²	29	89.8 Å²	89.8	15%	0.152	48%	0.479	C	S	.	.			trans	-88.1	148.8	175	-58.7	175.5	0	0	0	109.3	P574 L576 V583 H813	P574-L578 VanDerWaalsContact CG-O 3.32Å; P574-L578 WeakPolarHBondContact CG-O 3.38Å; L576-L578 HydrophobicContact CB-CD1 3.93Å; L576-L578 HydrophobicContact CB-CG 3.79Å; L576-L578 HydrophobicContact CD1-CD1 3.98Å; L576-L578 PolarHBondContact O-N 2.74Å; L578-V583 HydrophobicContact CB-CG2 3.77Å; L578-V583 HydrophobicContact CD1-CG2 3.82Å; L578-V583 HydrophobicContact CG-CG2 4.44Å; L578-H813 VanDerWaalsContact CD2-CE1 3.42Å; L578-H813 WeakPolarHBondContact CD2-CE1 3.35Å
579	K	43	Very low	49.7	Very low	125 Å²	125	84.1 Å²	84.1	54%	0.543	45%	0.45	S	S	.	.			trans	-75.1	145.8	166.7	-60	-175.6	174.9	-175.8	0	109.3	E581 D582	K579-E581 HydrophobicContact CB-CB 4.05Å; K579-E581 HydrophobicContact CB-CG 4.45Å; K579-E581 HydrophobicContact CD-CB 4.49Å; K579-E581 WeakPolarHBondContact CD-OE2 3.38Å; K579-E581 IonicContact NZ-OE2 3.93Å; K579-E581 PolarHBondContact NZ-OE2 3.07Å; K579-E581 PolarHBondContact O-N 3.27Å; K579-D582 PolarHBondContact O-N 3.35Å
580	W	49.1	Very low	52.3	Low	132 Å²	132	76.5 Å²	76.5	50%	0.5	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-14.4	168.8	-68.1	101.8	0	0	0	113.6	D582 A588	W580-D582 VanDerWaalsContact C-N 3.33Å; W580-A588 HydrophobicContact CZ3-CB 4.08Å
581	E	43.4	Very low	54.4	Low	155 Å²	155	70.8 Å²	70.8	72%	0.724	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-30.4	172.8	-66.4	163.8	-171	0	0	112.6	K579	K579-E581 HydrophobicContact CB-CB 4.05Å; K579-E581 HydrophobicContact CB-CG 4.45Å; K579-E581 HydrophobicContact CD-CB 4.49Å; K579-E581 WeakPolarHBondContact CD-OE2 3.38Å; K579-E581 IonicContact NZ-OE2 3.93Å; K579-E581 PolarHBondContact NZ-OE2 3.07Å; K579-E581 PolarHBondContact O-N 3.27Å
582	D	46.7	Very low	56.7	Low	87 Å²	87	69.5 Å²	69.5	47%	0.465	36%	0.36	S	S	.	.	S	Bend	trans	-104	-3.8	-170.9	-58.9	-61.1	0	0	0	113.9	K579 W580	K579-D582 PolarHBondContact O-N 3.35Å; W580-D582 VanDerWaalsContact C-N 3.33Å
583	V	61.2	Low	58.9	Low	23 Å²	23	67.9 Å²	67.9	14%	0.139	35%	0.347	C	S	.	.			trans	-109	116.6	-169.9	-178	0	0	0	0	111.4	L578 E587 A588	L578-V583 HydrophobicContact CB-CG2 3.77Å; L578-V583 HydrophobicContact CD1-CG2 3.82Å; L578-V583 HydrophobicContact CG-CG2 4.44Å; V583-E587 HydrophobicContact CG1-CB 4.07Å; V583-E587 HydrophobicContact CG1-CG 4.03Å; V583-A588 HydrophobicContact CG1-CB 3.98Å
584	C	69.8	Low	61.1	Low	81 Å²	81	63.4 Å²	63.4	55%	0.547	32%	0.317	S	S	.	.			trans	-61.7	149.8	172.3	-66.8	0	0	0	0	111.8	D586 E587 A588	C584-D586 VanDerWaalsContact C-N 3.26Å; C584-D586 PolarHBondContact O-N 3.24Å; C584-E587 HydrophobicContact CB-CB 4.28Å; C584-E587 WeakPolarHBondContact O-CB 3.38Å; C584-E587 PolarHBondContact O-N 2.99Å; C584-A588 PolarHBondContact O-N 3.44Å
585	L	72.3	Confident	63.1	Low	129 Å²	129	64.5 Å²	64.5	68%	0.675	32%	0.32	S	S	*	.	H	α-helix	trans	-54.9	-41.5	179.7	178	59.7	0	0	0	112.4	A588 N589	L585-A588 PolarHBondContact O-N 3.48Å; L585-N589 VanDerWaalsContact O-CG 3.27Å; L585-N589 PolarHBondContact O-N 3Å; L585-N589 PolarHBondContact O-ND2 3.09Å; L585-N589 VanDerWaalsContact O-ND2 3.08Å
586	D	68.8	Low	64.8	Low	98 Å²	98	64.3 Å²	64.3	52%	0.524	33%	0.325	S	S	.	.	H	α-helix	trans	-68.2	-36.8	178.3	-53.9	-58.7	0	0	0	112.1	C584 N589 R590	C584-D586 VanDerWaalsContact C-N 3.26Å; C584-D586 PolarHBondContact O-N 3.24Å; D586-N589 PolarHBondContact O-N 2.86Å; D586-R590 WeakPolarHBondContact O-CB 3.49Å; D586-R590 PolarHBondContact O-N 3.32Å
587	E	71.9	Confident	66.8	Low	49 Å²	49	63.9 Å²	63.9	23%	0.229	32%	0.323	C	S	.	.	H	α-helix	trans	-67.5	-37.9	174.8	-178.7	54.5	-144.3	0	0	111.6	V583 C584 R590 Q591	V583-E587 HydrophobicContact CG1-CB 4.07Å; V583-E587 HydrophobicContact CG1-CG 4.03Å; C584-E587 HydrophobicContact CB-CB 4.28Å; C584-E587 WeakPolarHBondContact O-CB 3.38Å; C584-E587 PolarHBondContact O-N 2.99Å; E587-R590 VanDerWaalsContact CD-NH1 3.35Å; E587-R590 WeakPolarHBondContact O-CB 3.32Å; E587-R590 PolarHBondContact O-N 3.49Å; E587-R590 IonicContact OE1-NH1 2.8Å; E587-R590 PolarHBondContact OE1-NH1 3.24Å; E587-R590 VanDerWaalsContact OE1-NH1 3.14Å; E587-R590 WeakPolarHBondContact OE2-CD 3.23Å; E587-R590 IonicContact OE2-CZ 3.21Å; E587-R590 IonicContact OE2-NE 2.78Å; E587-R590 IonicContact OE2-NH1 3.73Å; E587-R590 PolarHBondContact OE2-NH1 2.9Å; E587-Q591 WeakPolarHBondContact O-CB 3.41Å; E587-Q591 VanDerWaalsContact O-CG 3.3Å; E587-Q591 WeakPolarHBondContact O-CG 3.38Å; E587-Q591 PolarHBondContact O-N 2.88Å; E587-Q591 PolarHBondContact OE1-NE2 2.89Å
588	A	69.1	Low	68.8	Low	9 Å²	9	57 Å²	57	7%	0.074	29%	0.286	C	S	.	.	H	α-helix	trans	-63.8	-44.1	171.6	0	0	0	0	0	112.1	W580 V583 C584 L585 R590 Q591 W592	W580-A588 HydrophobicContact CZ3-CB 4.08Å; V583-A588 HydrophobicContact CG1-CB 3.98Å; C584-A588 PolarHBondContact O-N 3.44Å; L585-A588 PolarHBondContact O-N 3.48Å; A588-R590 VanDerWaalsContact C-N 3.31Å; A588-R590 PolarHBondContact O-N 3.21Å; A588-Q591 PolarHBondContact O-N 3.37Å; A588-W592 PolarHBondContact O-N 3.1Å
589	N	76.9	Confident	70.9	Confident	39 Å²	39	59.3 Å²	59.3	21%	0.209	30%	0.298	C	S	.	.	H	α-helix	trans	-63.4	-37.4	175.4	-71.1	-38.9	0	0	0	112.1	L585 D586 W592 A593 F898	L585-N589 VanDerWaalsContact O-CG 3.27Å; L585-N589 PolarHBondContact O-N 3Å; L585-N589 PolarHBondContact O-ND2 3.09Å; L585-N589 VanDerWaalsContact O-ND2 3.08Å; D586-N589 PolarHBondContact O-N 2.86Å; N589-W592 PolarHBondContact O-N 3.07Å; N589-A593 WeakPolarHBondContact O-CB 3.32Å; N589-A593 PolarHBondContact O-N 2.94Å; N589-F898 HydrophobicContact CB-CB 4.22Å; N589-F898 HydrophobicContact CB-CD1 3.51Å; N589-F898 HydrophobicContact CB-CD2 3.76Å; N589-F898 HydrophobicContact CB-CE1 3.68Å; N589-F898 HydrophobicContact CB-CE2 3.93Å; N589-F898 HydrophobicContact CB-CG 3.56Å; N589-F898 HydrophobicContact CB-CZ 3.89Å
590	R	79.8	Confident	73	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.015	29%	0.289	C	S	.	.	H	α-helix	trans	-65	-45.9	175.7	-178.5	176.1	171.3	-95.6	-15	111.7	D586 E587 A588 W592 A593 I594 D817 F898 T899 H903	D586-R590 WeakPolarHBondContact O-CB 3.49Å; D586-R590 PolarHBondContact O-N 3.32Å; E587-R590 VanDerWaalsContact CD-NH1 3.35Å; E587-R590 WeakPolarHBondContact O-CB 3.32Å; E587-R590 PolarHBondContact O-N 3.49Å; E587-R590 IonicContact OE1-NH1 2.8Å; E587-R590 PolarHBondContact OE1-NH1 3.24Å; E587-R590 VanDerWaalsContact OE1-NH1 3.14Å; E587-R590 WeakPolarHBondContact OE2-CD 3.23Å; E587-R590 IonicContact OE2-CZ 3.21Å; E587-R590 IonicContact OE2-NE 2.78Å; E587-R590 IonicContact OE2-NH1 3.73Å; E587-R590 PolarHBondContact OE2-NH1 2.9Å; A588-R590 VanDerWaalsContact C-N 3.31Å; A588-R590 PolarHBondContact O-N 3.21Å; R590-W592 VanDerWaalsContact C-N 3.35Å; R590-W592 PolarHBondContact O-N 2.94Å; R590-A593 WeakPolarHBondContact O-CB 3.49Å; R590-A593 PolarHBondContact O-N 3.37Å; R590-A593 VanDerWaalsContact O-N 3.16Å; R590-I594 HydrophobicContact CG-CD1 4.48Å; R590-I594 WeakPolarHBondContact O-CG1 3.39Å; R590-I594 PolarHBondContact O-N 2.98Å; R590-D817 PolarHBondContact NH2-O 3.01Å; R590-F898 HydrophobicContact CB-CB 3.75Å; R590-T899 WeakPolarHBondContact CD-OG1 3.36Å; R590-T899 PolarHBondContact NE-OG1 3.28Å; R590-T899 VanDerWaalsContact NE-OG1 3.12Å; R590-H903 PolarHBondContact NH2-CE1 2.91Å
591	Q	75.6	Confident	74.8	Confident	10 Å²	10	50.9 Å²	50.9	5%	0.047	27%	0.265	C	S	.	.	H	α-helix	trans	-61.8	-41.1	173.6	-71.8	172.6	21.8	0	0	111.7	I575 E587 A588 A593 I594 E595	I575-Q591 HydrophobicContact CD1-CB 4.18Å; I575-Q591 WeakPolarHBondContact CD1-O 3.41Å; E587-Q591 WeakPolarHBondContact O-CB 3.41Å; E587-Q591 VanDerWaalsContact O-CG 3.3Å; E587-Q591 WeakPolarHBondContact O-CG 3.38Å; E587-Q591 PolarHBondContact O-N 2.88Å; E587-Q591 PolarHBondContact OE1-NE2 2.89Å; A588-Q591 PolarHBondContact O-N 3.37Å; Q591-A593 PolarHBondContact O-N 2.91Å; Q591-I594 PolarHBondContact O-N 3.26Å; Q591-E595 PolarHBondContact O-N 2.87Å
592	W	76.8	Confident	76.8	Confident	106 Å²	106	45.6 Å²	45.6	40%	0.402	24%	0.241	S	C	.	.	H	α-helix	trans	-64.2	-36.1	172.3	-73.2	8.1	0	0	0	113.3	L571 A588 N589 R590 E595 A596	L571-W592 HydrophobicContact CD2-CH2 3.56Å; L571-W592 HydrophobicContact CD2-CZ2 3.61Å; A588-W592 PolarHBondContact O-N 3.1Å; N589-W592 PolarHBondContact O-N 3.07Å; R590-W592 VanDerWaalsContact C-N 3.35Å; R590-W592 PolarHBondContact O-N 2.94Å; W592-E595 PolarHBondContact O-N 3.38Å; W592-A596 WeakPolarHBondContact O-CB 3.31Å; W592-A596 PolarHBondContact O-N 3.38Å
593	A	83.3	Confident	78.7	Confident	9 Å²	9	45.4 Å²	45.4	7%	0.074	24%	0.24	C	C	.	.	H	α-helix	trans	-68	-37	175.7	0	0	0	0	0	112.2	N589 R590 Q591 L597 N894 I895 F898	N589-A593 WeakPolarHBondContact O-CB 3.32Å; N589-A593 PolarHBondContact O-N 2.94Å; R590-A593 WeakPolarHBondContact O-CB 3.49Å; R590-A593 PolarHBondContact O-N 3.37Å; R590-A593 VanDerWaalsContact O-N 3.16Å; Q591-A593 PolarHBondContact O-N 2.91Å; A593-L597 PolarHBondContact O-N 3.17Å; A593-L597 VanDerWaalsContact O-N 3.14Å; A593-N894 HydrophobicContact CB-CB 4.22Å; A593-I895 HydrophobicContact CB-CB 4.46Å; A593-I895 HydrophobicContact CB-CG1 3.71Å; A593-F898 HydrophobicContact CB-CD2 4.24Å
594	I	83	Confident	79.9	Confident	8 Å²	8	45.2 Å²	45.2	4%	0.041	24%	0.238	C	C	.	.	H	α-helix	trans	-62.7	-50.6	171.9	-68.5	166.1	0	0	0	110.3	R590 Q591 A596 L597 I598 C655 P819 I895	R590-I594 HydrophobicContact CG-CD1 4.48Å; R590-I594 WeakPolarHBondContact O-CG1 3.39Å; R590-I594 PolarHBondContact O-N 2.98Å; Q591-I594 PolarHBondContact O-N 3.26Å; I594-A596 PolarHBondContact O-N 2.83Å; I594-L597 WeakPolarHBondContact O-CB 3.21Å; I594-L597 PolarHBondContact O-N 3.26Å; I594-L597 VanDerWaalsContact O-N 3.11Å; I594-I598 HydrophobicContact CG2-CD1 3.8Å; I594-I598 HydrophobicContact CG2-CG1 4.49Å; I594-I598 WeakPolarHBondContact O-CG1 3.42Å; I594-I598 PolarHBondContact O-N 3.01Å; I594-C655 HydrophobicContact CG2-CB 3.91Å; I594-P819 HydrophobicContact CD1-CG 4.17Å; I594-P819 HydrophobicContact CG1-CG 4.23Å; I594-I895 HydrophobicContact CG1-CD1 3.86Å; I594-I895 HydrophobicContact CG1-CG1 4.02Å; I594-I895 HydrophobicContact CG1-CG2 4.4Å
595	E	79.2	Confident	80.8	Confident	53 Å²	53	41.5 Å²	41.5	25%	0.248	21%	0.213	C	C	.	.	H	α-helix	trans	-64.4	-40.4	179.8	-174.7	57.8	-160.4	0	0	112.3	I575 Q591 W592 L597 I598 I599	I575-E595 HydrophobicContact CD1-CB 3.63Å; I575-E595 HydrophobicContact CD1-CG 4.13Å; Q591-E595 PolarHBondContact O-N 2.87Å; W592-E595 PolarHBondContact O-N 3.38Å; E595-L597 PolarHBondContact O-N 2.93Å; E595-I598 PolarHBondContact O-N 3.31Å; E595-I598 VanDerWaalsContact O-N 3.15Å; E595-I599 HydrophobicContact CG-CD1 3.84Å; E595-I599 HydrophobicContact CG-CG1 4.3Å; E595-I599 WeakPolarHBondContact O-CB 3.09Å; E595-I599 WeakPolarHBondContact O-CG1 3.46Å; E595-I599 PolarHBondContact O-N 3.48Å; E595-I599 WeakPolarHBondContact OE1-CD1 3.43Å; E595-I599 WeakPolarHBondContact OE1-CG1 3.07Å
596	A	84.1	Confident	81.4	Confident	44 Å²	44	38 Å²	38	36%	0.364	20%	0.195	S	C	.	.	H	α-helix	trans	-63.5	-26.3	174.8	0	0	0	0	0	113.1	W592 I594 K600	W592-A596 WeakPolarHBondContact O-CB 3.31Å; W592-A596 PolarHBondContact O-N 3.38Å; I594-A596 PolarHBondContact O-N 2.83Å; A596-K600 VanDerWaalsContact O-CD 3.27Å; A596-K600 WeakPolarHBondContact O-CD 3.27Å; A596-K600 WeakPolarHBondContact O-CG 3.19Å
597	L	86.2	Confident	82.3	Confident	3 Å²	3	35.7 Å²	35.7	2%	0.016	18%	0.183	C	C	.	.	H	α-helix	trans	-77.2	-45.6	170	172.9	57.4	0	0	0	111.2	A593 I594 E595 K600 L601 L888 L892 I895	A593-L597 PolarHBondContact O-N 3.17Å; A593-L597 VanDerWaalsContact O-N 3.14Å; I594-L597 WeakPolarHBondContact O-CB 3.21Å; I594-L597 PolarHBondContact O-N 3.26Å; I594-L597 VanDerWaalsContact O-N 3.11Å; E595-L597 PolarHBondContact O-N 2.93Å; L597-K600 PolarHBondContact O-N 2.87Å; L597-L601 HydrophobicContact CD1-CD1 3.84Å; L597-L601 HydrophobicContact CD1-CG 4.05Å; L597-L601 HydrophobicContact CG-CD1 4.04Å; L597-L601 WeakPolarHBondContact O-CG 3.28Å; L597-L601 PolarHBondContact O-N 3.45Å; L597-L888 HydrophobicContact CD1-CD2 4.28Å; L597-L892 HydrophobicContact CD2-CD2 4.25Å; L597-I895 HydrophobicContact CD2-CD1 3.81Å
598	I	85.4	Confident	82.9	Confident	4 Å²	4	33.4 Å²	33.4	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-60.7	-47.1	178.8	-69.1	172.3	0	0	0	111	I594 E595 K600 L601 I602 L651 Q652 C655 L656	I594-I598 HydrophobicContact CG2-CD1 3.8Å; I594-I598 HydrophobicContact CG2-CG1 4.49Å; I594-I598 WeakPolarHBondContact O-CG1 3.42Å; I594-I598 PolarHBondContact O-N 3.01Å; E595-I598 PolarHBondContact O-N 3.31Å; E595-I598 VanDerWaalsContact O-N 3.15Å; I598-K600 VanDerWaalsContact C-N 3.32Å; I598-K600 PolarHBondContact O-N 3.45Å; I598-L601 PolarHBondContact O-N 2.94Å; I598-I602 HydrophobicContact CG2-CD1 3.74Å; I598-I602 HydrophobicContact CG2-CG1 4.35Å; I598-I602 VanDerWaalsContact O-CG1 3.29Å; I598-I602 WeakPolarHBondContact O-CG1 3.48Å; I598-I602 PolarHBondContact O-N 3.16Å; I598-L651 HydrophobicContact CG1-CB 4.27Å; I598-Q652 HydrophobicContact CG2-CG 3.92Å; I598-C655 HydrophobicContact CD1-CB 4.49Å; I598-L656 HydrophobicContact CD1-CD1 4.09Å; I598-L656 HydrophobicContact CD1-CD2 3.92Å; I598-L656 HydrophobicContact CD1-CG 3.98Å; I598-L656 HydrophobicContact CG2-CD1 4.4Å
599	I	84.7	Confident	83.7	Confident	78 Å²	78	35.9 Å²	35.9	40%	0.4	19%	0.186	S	C	.	.	H	α-helix	trans	-59.1	-41	176.2	-69.1	171.7	0	0	0	111.5	E595 I602 N603	E595-I599 HydrophobicContact CG-CD1 3.84Å; E595-I599 HydrophobicContact CG-CG1 4.3Å; E595-I599 WeakPolarHBondContact O-CB 3.09Å; E595-I599 WeakPolarHBondContact O-CG1 3.46Å; E595-I599 PolarHBondContact O-N 3.48Å; E595-I599 WeakPolarHBondContact OE1-CD1 3.43Å; E595-I599 WeakPolarHBondContact OE1-CG1 3.07Å; I599-I602 PolarHBondContact O-N 3.48Å; I599-N603 PolarHBondContact O-N 2.87Å; I599-N603 PolarHBondContact O-ND2 2.9Å
600	K	86.2	Confident	84.1	Confident	80 Å²	80	40 Å²	40	35%	0.348	20%	0.2	S	C	.	.	H	α-helix	trans	-65.7	-43.9	175.9	-73.1	170.2	-171.5	171	0	111.7	A596 L597 I598 N603 I604	A596-K600 VanDerWaalsContact O-CD 3.27Å; A596-K600 WeakPolarHBondContact O-CD 3.27Å; A596-K600 WeakPolarHBondContact O-CG 3.19Å; L597-K600 PolarHBondContact O-N 2.87Å; I598-K600 VanDerWaalsContact C-N 3.32Å; I598-K600 PolarHBondContact O-N 3.45Å; K600-N603 PolarHBondContact O-N 3.44Å; K600-I604 WeakPolarHBondContact O-CG1 3.21Å; K600-I604 PolarHBondContact O-N 2.97Å
601	L	86.3	Confident	84.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66	-35.4	176.8	-73.5	170.9	0	0	0	112.6	L597 I598 S605 L647 L651 L888	L597-L601 HydrophobicContact CD1-CD1 3.84Å; L597-L601 HydrophobicContact CD1-CG 4.05Å; L597-L601 HydrophobicContact CG-CD1 4.04Å; L597-L601 WeakPolarHBondContact O-CG 3.28Å; L597-L601 PolarHBondContact O-N 3.45Å; I598-L601 PolarHBondContact O-N 2.94Å; L601-S605 WeakPolarHBondContact O-CB 3.28Å; L601-S605 PolarHBondContact O-N 3.17Å; L601-L647 HydrophobicContact CD1-CG 4.41Å; L601-L651 HydrophobicContact CD1-CD1 3.51Å; L601-L888 HydrophobicContact CD1-CD2 4.29Å; L601-L888 HydrophobicContact CD2-CD2 4.22Å
602	I	86.8	Confident	84.7	Confident	44 Å²	44	40.4 Å²	40.4	23%	0.226	20%	0.202	C	C	.	.	H	α-helix	trans	-59.6	-51.2	169.7	-69.6	161.7	0	0	0	110	I598 I599 I604 S605 N606 K648	I598-I602 HydrophobicContact CG2-CD1 3.74Å; I598-I602 HydrophobicContact CG2-CG1 4.35Å; I598-I602 VanDerWaalsContact O-CG1 3.29Å; I598-I602 WeakPolarHBondContact O-CG1 3.48Å; I598-I602 PolarHBondContact O-N 3.16Å; I599-I602 PolarHBondContact O-N 3.48Å; I602-I604 PolarHBondContact O-N 3.48Å; I602-S605 PolarHBondContact O-N 3.06Å; I602-N606 VanDerWaalsContact O-CB 3.28Å; I602-N606 WeakPolarHBondContact O-CB 3.47Å; I602-N606 PolarHBondContact O-N 3Å; I602-N606 PolarHBondContact O-OD1 3.35Å; I602-K648 HydrophobicContact CB-CD 4.41Å; I602-K648 HydrophobicContact CG1-CD 3.84Å; I602-K648 HydrophobicContact CG1-CG 4.08Å
603	N	86.4	Confident	85	Confident	82 Å²	82	39.6 Å²	39.6	44%	0.439	21%	0.206	S	C	.	.	H	α-helix	trans	-62.9	-43.6	-179.1	-73.2	-43.6	0	0	0	112.7	I599 K600 N606 N607	I599-N603 PolarHBondContact O-N 2.87Å; I599-N603 PolarHBondContact O-ND2 2.9Å; K600-N603 PolarHBondContact O-N 3.44Å; N603-N606 PolarHBondContact O-N 3.03Å; N603-N607 VanDerWaalsContact O-CB 3.31Å; N603-N607 WeakPolarHBondContact O-CB 3.45Å; N603-N607 PolarHBondContact O-N 2.79Å; N603-N607 PolarHBondContact O-ND2 2.96Å
604	I	86.1	Confident	84.9	Confident	20 Å²	20	39.6 Å²	39.6	10%	0.103	21%	0.206	C	C	.	.	H	α-helix	trans	-66	-46.4	176.9	-65.6	165.9	0	0	0	110.8	K600 I602 N606 N607 L608 I884 C887	K600-I604 WeakPolarHBondContact O-CG1 3.21Å; K600-I604 PolarHBondContact O-N 2.97Å; I602-I604 PolarHBondContact O-N 3.48Å; I604-N606 VanDerWaalsContact C-N 3.34Å; I604-N606 PolarHBondContact O-N 2.91Å; I604-N607 PolarHBondContact O-N 3.08Å; I604-L608 HydrophobicContact CG2-CD1 3.95Å; I604-L608 HydrophobicContact CG2-CG 4.47Å; I604-L608 WeakPolarHBondContact O-CB 3.39Å; I604-L608 WeakPolarHBondContact O-CG 3.4Å; I604-L608 PolarHBondContact O-N 2.86Å; I604-I884 HydrophobicContact CG2-CG1 3.96Å; I604-C887 HydrophobicContact CD1-CB 3.87Å
605	S	87.3	Confident	84.8	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.014	20%	0.204	C	C	.	.	H	α-helix	trans	-58.3	-45	176.2	178.6	0	0	0	0	111.7	L601 I602 L608 T609	L601-S605 WeakPolarHBondContact O-CB 3.28Å; L601-S605 PolarHBondContact O-N 3.17Å; I602-S605 PolarHBondContact O-N 3.06Å; S605-L608 PolarHBondContact O-N 3.49Å; S605-T609 PolarHBondContact O-N 3.31Å; S605-T609 PolarHBondContact O-OG1 3.19Å; S605-T609 VanDerWaalsContact O-OG1 3.1Å
606	N	86.8	Confident	84.8	Confident	55 Å²	55	40.7 Å²	40.7	29%	0.294	21%	0.207	S	C	.	.	H	α-helix	trans	-66.7	-47.1	179.9	-69.6	-2.6	0	0	0	110.8	I602 N603 I604 L608 T609 Y610	I602-N606 VanDerWaalsContact O-CB 3.28Å; I602-N606 WeakPolarHBondContact O-CB 3.47Å; I602-N606 PolarHBondContact O-N 3Å; I602-N606 PolarHBondContact O-OD1 3.35Å; N603-N606 PolarHBondContact O-N 3.03Å; I604-N606 VanDerWaalsContact C-N 3.34Å; I604-N606 PolarHBondContact O-N 2.91Å; N606-L608 VanDerWaalsContact C-N 3.3Å; N606-L608 PolarHBondContact O-N 2.94Å; N606-T609 PolarHBondContact O-N 3.05Å; N606-T609 VanDerWaalsContact O-N 3.17Å; N606-Y610 HydrophobicContact CB-CD2 4.25Å; N606-Y610 HydrophobicContact CB-CE2 4.01Å; N606-Y610 WeakPolarHBondContact O-CD2 3.45Å; N606-Y610 PolarHBondContact O-N 3.15Å
607	N	85.7	Confident	84.4	Confident	51 Å²	51	41 Å²	41	27%	0.273	20%	0.204	S	C	.	.	H	α-helix	trans	-60.4	-38.2	177	-70.5	-18	0	0	0	112.2	N603 I604 G611 P872 L880	N603-N607 VanDerWaalsContact O-CB 3.31Å; N603-N607 WeakPolarHBondContact O-CB 3.45Å; N603-N607 PolarHBondContact O-N 2.79Å; N603-N607 PolarHBondContact O-ND2 2.96Å; I604-N607 PolarHBondContact O-N 3.08Å; N607-G611 PolarHBondContact O-N 3.38Å; N607-P872 HydrophobicContact CB-CG 4.27Å; N607-P872 WeakPolarHBondContact O-CG 3.48Å; N607-L880 HydrophobicContact CB-CD1 3.61Å; N607-L880 HydrophobicContact CB-CD2 4.45Å
608	L	85.5	Confident	83.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.6	-47.3	172.9	-76.3	169.1	0	0	0	111.6	I604 S605 N606 G611 I612 I637 A641 T644 F877 L880 P881 I884	I604-L608 HydrophobicContact CG2-CD1 3.95Å; I604-L608 HydrophobicContact CG2-CG 4.47Å; I604-L608 WeakPolarHBondContact O-CB 3.39Å; I604-L608 WeakPolarHBondContact O-CG 3.4Å; I604-L608 PolarHBondContact O-N 2.86Å; S605-L608 PolarHBondContact O-N 3.49Å; N606-L608 VanDerWaalsContact C-N 3.3Å; N606-L608 PolarHBondContact O-N 2.94Å; L608-G611 PolarHBondContact O-N 2.94Å; L608-I612 WeakPolarHBondContact O-CB 3.42Å; L608-I612 WeakPolarHBondContact O-CG1 3.14Å; L608-I612 PolarHBondContact O-N 2.82Å; L608-I637 HydrophobicContact CD2-CG1 4.31Å; L608-A641 HydrophobicContact CB-CB 4.14Å; L608-A641 HydrophobicContact CD1-CB 4.46Å; L608-T644 HydrophobicContact CD1-CG2 4.47Å; L608-F877 HydrophobicContact CD2-CE2 4.31Å; L608-L880 HydrophobicContact CD2-CB 3.73Å; L608-L880 HydrophobicContact CD2-CD1 4.01Å; L608-L880 HydrophobicContact CG-CB 4.16Å; L608-L880 HydrophobicContact CG-CD1 4.06Å; L608-P881 HydrophobicContact CD2-CG 4.4Å; L608-I884 HydrophobicContact CD1-CD1 4.2Å
609	T	85.6	Confident	83.3	Confident	62 Å²	62	41.1 Å²	41.1	38%	0.38	21%	0.207	S	C	.	.	H	α-helix	trans	-63.6	-45.4	178.2	-59.4	0	0	0	0	112.2	S605 N606 I612 N613	S605-T609 PolarHBondContact O-N 3.31Å; S605-T609 PolarHBondContact O-OG1 3.19Å; S605-T609 VanDerWaalsContact O-OG1 3.1Å; N606-T609 PolarHBondContact O-N 3.05Å; N606-T609 VanDerWaalsContact O-N 3.17Å; T609-I612 PolarHBondContact O-N 3.21Å; T609-N613 WeakPolarHBondContact O-CB 3.29Å; T609-N613 VanDerWaalsContact O-CG 3.25Å; T609-N613 PolarHBondContact O-N 3.39Å; T609-N613 PolarHBondContact O-ND2 3.06Å
610	Y	84.6	Confident	82.9	Confident	126 Å²	126	43.1 Å²	43.1	49%	0.494	22%	0.215	S	C	.	.	H	α-helix	trans	-64.1	-44.9	176	-67.8	-53.4	0	0	0	111.6	N606 I612 N613 A614	N606-Y610 HydrophobicContact CB-CD2 4.25Å; N606-Y610 HydrophobicContact CB-CE2 4.01Å; N606-Y610 WeakPolarHBondContact O-CD2 3.45Å; N606-Y610 PolarHBondContact O-N 3.15Å; Y610-I612 PolarHBondContact O-N 2.83Å; Y610-N613 PolarHBondContact O-N 2.86Å; Y610-A614 WeakPolarHBondContact O-CB 3.2Å; Y610-A614 PolarHBondContact O-N 3.13Å
611	G	83.9	Confident	82.2	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.4	-35.1	177.8	0	0	0	0	0	114	N607 L608 Y615 F877	N607-G611 PolarHBondContact O-N 3.38Å; L608-G611 PolarHBondContact O-N 2.94Å; G611-Y615 WeakPolarHBondContact O-CB 3.38Å; G611-Y615 WeakPolarHBondContact O-CD2 3.45Å; G611-Y615 PolarHBondContact O-N 3.49Å; G611-F877 VanDerWaalsContact CA-CE2 3.48Å
612	I	84.7	Confident	81.2	Confident	22 Å²	22	51.5 Å²	51.5	11%	0.113	26%	0.255	C	S	.	.	I	π-helix	trans	-65.5	-47.3	171.7	-72	167.5	0	0	0	110.1	L608 T609 Y610 R616 I637 A641 F877	L608-I612 WeakPolarHBondContact O-CB 3.42Å; L608-I612 WeakPolarHBondContact O-CG1 3.14Å; L608-I612 PolarHBondContact O-N 2.82Å; T609-I612 PolarHBondContact O-N 3.21Å; Y610-I612 PolarHBondContact O-N 2.83Å; I612-R616 HydrophobicContact CG2-CB 4.34Å; I612-R616 WeakPolarHBondContact O-CA 3.5Å; I612-R616 WeakPolarHBondContact O-CB 3.29Å; I612-R616 PolarHBondContact O-N 2.74Å; I612-I637 HydrophobicContact CD1-CG2 4.19Å; I612-I637 HydrophobicContact CG1-CG2 4.04Å; I612-A641 HydrophobicContact CD1-CB 3.59Å; I612-F877 HydrophobicContact CG1-CE2 4.08Å; I612-F877 HydrophobicContact CG1-CZ 3.78Å
613	N	82.6	Confident	79.9	Confident	88 Å²	88	50.4 Å²	50.4	47%	0.471	25%	0.252	S	S	.	.	I	π-helix	trans	-63	-46.9	179.6	-71.4	-13.9	0	0	0	111.6	T609 Y610 T617	T609-N613 WeakPolarHBondContact O-CB 3.29Å; T609-N613 VanDerWaalsContact O-CG 3.25Å; T609-N613 PolarHBondContact O-N 3.39Å; T609-N613 PolarHBondContact O-ND2 3.06Å; Y610-N613 PolarHBondContact O-N 2.86Å; N613-T617 WeakPolarHBondContact O-CB 3.43Å; N613-T617 WeakPolarHBondContact O-CG2 3.45Å; N613-T617 PolarHBondContact O-N 2.89Å; N613-T617 PolarHBondContact O-OG1 3.06Å
614	A	81.6	Confident	78.8	Confident	9 Å²	9	53.5 Å²	53.5	7%	0.074	27%	0.269	C	S	.	.	I	π-helix	trans	-57.8	-68.6	174.9	0	0	0	0	0	112.1	Y610 G618 Q865 V871	Y610-A614 WeakPolarHBondContact O-CB 3.2Å; Y610-A614 PolarHBondContact O-N 3.13Å; A614-G618 VanDerWaalsContact O-CA 3.25Å; A614-G618 WeakPolarHBondContact O-CA 3.21Å; A614-G618 PolarHBondContact O-N 3.26Å; A614-Q865 VanDerWaalsContact CA-OE1 3.24Å; A614-V871 HydrophobicContact CB-CB 4.36Å; A614-V871 HydrophobicContact CB-CG1 3.51Å; A614-V871 HydrophobicContact CB-CG2 3.85Å
615	Y	80.8	Confident	77.8	Confident	1 Å²	1	53.1 Å²	53.1	0%	0.004	27%	0.267	C	S	.	.	I	π-helix	trans	-80.9	-40	-168.8	-63.7	-57.3	0	0	0	113.7	G611 L619 F861 L862 Q865 V871 P872 L874 F877	G611-Y615 WeakPolarHBondContact O-CB 3.38Å; G611-Y615 WeakPolarHBondContact O-CD2 3.45Å; G611-Y615 PolarHBondContact O-N 3.49Å; Y615-L619 WeakPolarHBondContact O-CB 3.49Å; Y615-L619 WeakPolarHBondContact O-CG 3.47Å; Y615-L619 PolarHBondContact O-N 3.22Å; Y615-F861 HydrophobicContact CD1-CE1 4.01Å; Y615-F861 HydrophobicContact CD1-CZ 4.23Å; Y615-L862 HydrophobicContact CD1-CD2 4.05Å; Y615-L862 HydrophobicContact CE1-CD2 3.81Å; Y615-Q865 HydrophobicContact CD1-CB 4.41Å; Y615-Q865 HydrophobicContact CE1-CB 3.66Å; Y615-Q865 HydrophobicContact CE1-CG 4.22Å; Y615-V871 HydrophobicContact CE2-CG1 4.13Å; Y615-P872 VanDerWaalsContact CE2-O 3.23Å; Y615-P872 WeakPolarHBondContact CE2-O 3.29Å; Y615-P872 PolarHBondContact OH-O 3.39Å; Y615-L874 HydrophobicContact CD1-CD1 3.9Å; Y615-L874 HydrophobicContact CD2-CD1 3.55Å; Y615-L874 HydrophobicContact CE1-CB 4.21Å; Y615-L874 HydrophobicContact CE1-CD1 4.16Å; Y615-L874 HydrophobicContact CE2-CB 3.97Å; Y615-L874 HydrophobicContact CE2-CD1 3.8Å; Y615-L874 HydrophobicContact CG-CD1 3.6Å; Y615-L874 PolarHBondContact OH-N 3.47Å; Y615-F877 HydrophobicContact CD2-CB 4.36Å; Y615-F877 AromaticContact CD2-CD1 3.67Å; Y615-F877 HydrophobicContact CD2-CD1 3.67Å; Y615-F877 HydrophobicContact CD2-CE1 4.11Å; Y615-F877 HydrophobicContact CD2-CG 4.05Å; Y615-F877 HydrophobicContact CE2-CB 4.17Å; Y615-F877 HydrophobicContact CE2-CD1 4.3Å; Y615-F877 HydrophobicContact CE2-CG 4.35Å
616	R	79.2	Confident	76.8	Confident	83 Å²	83	57.9 Å²	57.9	31%	0.313	29%	0.289	S	S	.	.	I	π-helix	trans	-69.9	-49.7	-179.9	-159.4	-175.8	-172.4	-150.1	5.7	110.8	I612 Q620 N631 F634	I612-R616 HydrophobicContact CG2-CB 4.34Å; I612-R616 WeakPolarHBondContact O-CA 3.5Å; I612-R616 WeakPolarHBondContact O-CB 3.29Å; I612-R616 PolarHBondContact O-N 2.74Å; R616-Q620 VanDerWaalsContact O-CB 3.27Å; R616-Q620 WeakPolarHBondContact O-CB 3.46Å; R616-Q620 PolarHBondContact O-N 3.31Å; R616-Q620 VanDerWaalsContact O-N 3.16Å; R616-N631 PolarHBondContact NH2-OD1 3.15Å; R616-F634 HydrophobicContact CB-CD2 4.31Å; R616-F634 HydrophobicContact CB-CE2 4.43Å; R616-F634 HydrophobicContact CG-CD2 4.12Å
617	T	76.1	Confident	75.9	Confident	50 Å²	50	58.9 Å²	58.9	31%	0.307	30%	0.298	S	S	.	.	I	π-helix	trans	-76.7	-31.9	-179.3	89	0	0	0	0	112.5	N613 K621	N613-T617 WeakPolarHBondContact O-CB 3.43Å; N613-T617 WeakPolarHBondContact O-CG2 3.45Å; N613-T617 PolarHBondContact O-N 2.89Å; N613-T617 PolarHBondContact O-OG1 3.06Å; T617-K621 WeakPolarHBondContact O-CB 3.45Å; T617-K621 WeakPolarHBondContact O-CD 3.19Å; T617-K621 WeakPolarHBondContact O-CG 3.38Å; T617-K621 PolarHBondContact O-N 2.96Å
618	G	76	Confident	75	Confident	8 Å²	8	61.2 Å²	61.2	8%	0.082	31%	0.31	C	S	.	.	H	α-helix	trans	-67.3	-45.4	175.8	0	0	0	0	0	112.9	A614 K621 I622	A614-G618 VanDerWaalsContact O-CA 3.25Å; A614-G618 WeakPolarHBondContact O-CA 3.21Å; A614-G618 PolarHBondContact O-N 3.26Å; G618-K621 PolarHBondContact O-N 3.13Å; G618-I622 WeakPolarHBondContact O-CB 3.37Å; G618-I622 PolarHBondContact O-N 3.1Å
619	L	73.2	Confident	74.2	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-66.3	-38.2	175	-71.2	177.7	0	0	0	112.4	Y615 K621 I622 A623 L625 L630 L633 F634 L858 F861	Y615-L619 WeakPolarHBondContact O-CB 3.49Å; Y615-L619 WeakPolarHBondContact O-CG 3.47Å; Y615-L619 PolarHBondContact O-N 3.22Å; L619-K621 VanDerWaalsContact C-N 3.28Å; L619-K621 PolarHBondContact O-N 3.32Å; L619-I622 PolarHBondContact O-N 3.32Å; L619-A623 PolarHBondContact O-N 2.81Å; L619-A623 VanDerWaalsContact O-N 3.08Å; L619-L625 HydrophobicContact CB-CD1 4.19Å; L619-L625 HydrophobicContact CD2-CD1 4.49Å; L619-L630 HydrophobicContact CB-CD2 3.7Å; L619-L630 HydrophobicContact CD1-CD2 4.49Å; L619-L633 HydrophobicContact CD1-CD2 3.78Å; L619-F634 HydrophobicContact CD1-CE2 3.82Å; L619-F634 HydrophobicContact CD1-CZ 3.76Å; L619-L858 HydrophobicContact CD2-CD1 3.36Å; L619-L858 HydrophobicContact CD2-CG 4.28Å; L619-F861 HydrophobicContact CD2-CD1 3.49Å; L619-F861 VanDerWaalsContact CD2-CD1 3.49Å; L619-F861 HydrophobicContact CD2-CE1 3.39Å; L619-F861 HydrophobicContact CD2-CZ 4.38Å; L619-F861 HydrophobicContact CG-CD1 4.19Å; L619-F861 HydrophobicContact CG-CE1 3.56Å; L619-F861 HydrophobicContact CG-CZ 4.25Å
620	Q	75.7	Confident	73.6	Confident	120 Å²	120	61 Å²	61	56%	0.561	31%	0.307	S	S	*	.	H	α-helix	trans	-60.4	-36.2	172.7	-171.3	179.7	4.7	0	0	112.6	R616 L630	R616-Q620 VanDerWaalsContact O-CB 3.27Å; R616-Q620 WeakPolarHBondContact O-CB 3.46Å; R616-Q620 PolarHBondContact O-N 3.31Å; R616-Q620 VanDerWaalsContact O-N 3.16Å; Q620-L630 HydrophobicContact CB-CD1 3.81Å; Q620-L630 HydrophobicContact CG-CD1 4.12Å
621	K	71.9	Confident	73	Confident	161 Å²	161	58.5 Å²	58.5	70%	0.7	30%	0.302	S	S	*	.	H	α-helix	trans	-78.7	-30.5	178.8	-75.9	166.5	-178.8	168.2	0	114.6	T617 G618 L619	T617-K621 WeakPolarHBondContact O-CB 3.45Å; T617-K621 WeakPolarHBondContact O-CD 3.19Å; T617-K621 WeakPolarHBondContact O-CG 3.38Å; T617-K621 PolarHBondContact O-N 2.96Å; G618-K621 PolarHBondContact O-N 3.13Å; L619-K621 VanDerWaalsContact C-N 3.28Å; L619-K621 PolarHBondContact O-N 3.32Å
622	I	65.3	Low	72.4	Confident	95 Å²	95	61.4 Å²	61.4	49%	0.487	32%	0.322	S	S	.	.	H	α-helix	trans	-107.8	-28.3	-164.8	-73.2	164.7	0	0	0	113.5	G618 L619 F861	G618-I622 WeakPolarHBondContact O-CB 3.37Å; G618-I622 PolarHBondContact O-N 3.1Å; L619-I622 PolarHBondContact O-N 3.32Å; I622-F861 HydrophobicContact CD1-CB 4.38Å; I622-F861 HydrophobicContact CD1-CD2 3.29Å; I622-F861 HydrophobicContact CD1-CE2 3.82Å; I622-F861 HydrophobicContact CD1-CG 4.07Å; I622-F861 HydrophobicContact CG2-CB 4.28Å
623	A	59.9	Low	71.7	Confident	21 Å²	21	60.6 Å²	60.6	17%	0.174	32%	0.318	C	S	.	.	S	Bend	trans	-112.4	-4	-172.9	0	0	0	0	0	114.3	L619 L625	L619-A623 PolarHBondContact O-N 2.81Å; L619-A623 VanDerWaalsContact O-N 3.08Å; A623-L625 HydrophobicContact CB-CD1 3.75Å; A623-L625 HydrophobicContact CB-CG 3.71Å; A623-L625 PolarHBondContact O-N 2.69Å
624	N	63	Low	71.2	Confident	148 Å²	148	56.7 Å²	56.7	79%	0.791	30%	0.297	S	S	*	.			trans	48	26.9	-170.5	-74.4	-9.4	0	0	0	113.8	H626	N624-H626 PolarHBondContact O-N 3.49Å
625	L	65.4	Low	70.8	Confident	11 Å²	11	62.1 Å²	62.1	6%	0.058	32%	0.317	C	S	.	.			trans	-56.8	135.9	179.8	-78.1	162.4	0	0	0	109.8	L619 A623 D629 L630 L851 Y855	L619-L625 HydrophobicContact CB-CD1 4.19Å; L619-L625 HydrophobicContact CD2-CD1 4.49Å; A623-L625 HydrophobicContact CB-CD1 3.75Å; A623-L625 HydrophobicContact CB-CG 3.71Å; A623-L625 PolarHBondContact O-N 2.69Å; L625-D629 HydrophobicContact CB-CB 4.23Å; L625-D629 HydrophobicContact CD2-CB 4.02Å; L625-L630 HydrophobicContact CB-CD1 4.38Å; L625-L630 HydrophobicContact CB-CD2 4.26Å; L625-L630 HydrophobicContact CB-CG 3.97Å; L625-L630 HydrophobicContact CD1-CD2 4.25Å; L625-L851 HydrophobicContact CD2-CD2 3.8Å; L625-Y855 HydrophobicContact CD2-CE2 4.38Å
626	H	65.8	Low	70.8	Confident	103 Å²	103	63 Å²	63	48%	0.477	32%	0.322	S	S	.	.			trans	-60.9	146.2	-178.4	-165	-106.1	0	0	0	108.8	N624 N628 D629 L630	N624-H626 PolarHBondContact O-N 3.49Å; H626-N628 WeakPolarHBondContact ND1-CB 3.31Å; H626-N628 VanDerWaalsContact ND1-CG 3.31Å; H626-N628 PolarHBondContact ND1-N 2.98Å; H626-N628 PolarHBondContact O-N 2.94Å; H626-D629 WeakPolarHBondContact CB-OD2 3.36Å; H626-D629 PolarHBondContact N-OD2 2.88Å; H626-D629 WeakPolarHBondContact O-CA 3.17Å; H626-D629 WeakPolarHBondContact O-CB 3.45Å; H626-D629 PolarHBondContact O-N 3.37Å; H626-L630 PolarHBondContact O-N 3.12Å; H626-L630 VanDerWaalsContact O-N 3.11Å
627	P	66.4	Low	71	Confident	76 Å²	76	59.1 Å²	59.1	49%	0.494	31%	0.307	S	S	.	.	H	α-helix	trans	-53.4	-28.2	175.8	18.4	-32.8	0	0	0	112.9	N631	P627-N631 VanDerWaalsContact O-CB 3.23Å; P627-N631 WeakPolarHBondContact O-CB 3.4Å; P627-N631 PolarHBondContact O-N 3.36Å; P627-N631 PolarHBondContact O-ND2 3.33Å
628	N	67.4	Low	71.4	Confident	99 Å²	99	59.6 Å²	59.6	53%	0.529	31%	0.31	S	S	.	.	H	α-helix	trans	-67.5	-43.3	172.8	-58.9	1.7	0	0	0	112.1	H626 L630 N631 S632	H626-N628 WeakPolarHBondContact ND1-CB 3.31Å; H626-N628 VanDerWaalsContact ND1-CG 3.31Å; H626-N628 PolarHBondContact ND1-N 2.98Å; H626-N628 PolarHBondContact O-N 2.94Å; N628-L630 VanDerWaalsContact C-N 3.35Å; N628-L630 PolarHBondContact O-N 3.13Å; N628-N631 CarbonylContact O-C 3.58Å; N628-N631 PolarHBondContact O-N 3.13Å; N628-S632 WeakPolarHBondContact O-CB 3.45Å; N628-S632 PolarHBondContact O-N 3.21Å; N628-S632 PolarHBondContact O-OG 3.31Å; N628-S632 VanDerWaalsContact O-OG 3.07Å
629	D	69.9	Low	71.8	Confident	52 Å²	52	64.4 Å²	64.4	28%	0.278	33%	0.33	S	S	.	.	H	α-helix	trans	-60.9	-44.4	177.1	-62.2	-40.6	0	0	0	111.5	L625 H626 S632 L633 Y847	L625-D629 HydrophobicContact CB-CB 4.23Å; L625-D629 HydrophobicContact CD2-CB 4.02Å; H626-D629 WeakPolarHBondContact CB-OD2 3.36Å; H626-D629 PolarHBondContact N-OD2 2.88Å; H626-D629 WeakPolarHBondContact O-CA 3.17Å; H626-D629 WeakPolarHBondContact O-CB 3.45Å; H626-D629 PolarHBondContact O-N 3.37Å; D629-S632 PolarHBondContact O-N 2.85Å; D629-L633 WeakPolarHBondContact O-CB 3.35Å; D629-L633 PolarHBondContact O-N 3.31Å; D629-Y847 WeakPolarHBondContact CA-OH 3.48Å; D629-Y847 WeakPolarHBondContact CB-OH 3.17Å; D629-Y847 PolarHBondContact OD1-OH 3.47Å
630	L	71.6	Confident	72.5	Confident	7 Å²	7	64.3 Å²	64.3	4%	0.037	33%	0.33	C	S	.	.	H	α-helix	trans	-66.3	-37.8	176	-70.6	168	0	0	0	112	L619 Q620 L625 H626 N628 F634	L619-L630 HydrophobicContact CB-CD2 3.7Å; L619-L630 HydrophobicContact CD1-CD2 4.49Å; Q620-L630 HydrophobicContact CB-CD1 3.81Å; Q620-L630 HydrophobicContact CG-CD1 4.12Å; L625-L630 HydrophobicContact CB-CD1 4.38Å; L625-L630 HydrophobicContact CB-CD2 4.26Å; L625-L630 HydrophobicContact CB-CG 3.97Å; L625-L630 HydrophobicContact CD1-CD2 4.25Å; H626-L630 PolarHBondContact O-N 3.12Å; H626-L630 VanDerWaalsContact O-N 3.11Å; N628-L630 VanDerWaalsContact C-N 3.35Å; N628-L630 PolarHBondContact O-N 3.13Å; L630-F634 HydrophobicContact CD2-CD2 4.41Å; L630-F634 HydrophobicContact CD2-CE2 4.14Å; L630-F634 WeakPolarHBondContact O-CB 3.37Å; L630-F634 WeakPolarHBondContact O-CD2 3.43Å; L630-F634 PolarHBondContact O-N 3.26Å
631	N	71.7	Confident	73	Confident	72 Å²	72	59.1 Å²	59.1	39%	0.385	31%	0.307	S	S	.	.	H	α-helix	trans	-74.9	-26	175.6	-70.9	-18.2	0	0	0	112.5	R616 P627 N628 Y635	R616-N631 PolarHBondContact NH2-OD1 3.15Å; P627-N631 VanDerWaalsContact O-CB 3.23Å; P627-N631 WeakPolarHBondContact O-CB 3.4Å; P627-N631 PolarHBondContact O-N 3.36Å; P627-N631 PolarHBondContact O-ND2 3.33Å; N628-N631 CarbonylContact O-C 3.58Å; N628-N631 PolarHBondContact O-N 3.13Å; N631-Y635 WeakPolarHBondContact O-CA 3.38Å; N631-Y635 VanDerWaalsContact O-CB 3.32Å; N631-Y635 WeakPolarHBondContact O-CB 3.1Å; N631-Y635 PolarHBondContact O-N 3.42Å
632	S	71.7	Confident	73.7	Confident	61 Å²	61	54 Å²	54	43%	0.427	29%	0.292	S	S	.	.	H	α-helix	trans	-70.5	-50.5	169.1	-66.2	0	0	0	0	110.6	N628 D629 F634 R844	N628-S632 WeakPolarHBondContact O-CB 3.45Å; N628-S632 PolarHBondContact O-N 3.21Å; N628-S632 PolarHBondContact O-OG 3.31Å; N628-S632 VanDerWaalsContact O-OG 3.07Å; D629-S632 PolarHBondContact O-N 2.85Å; S632-F634 PolarHBondContact O-N 3.36Å; S632-R844 WeakPolarHBondContact O-CD 3.43Å; S632-R844 VanDerWaalsContact O-CG 3.28Å; S632-R844 WeakPolarHBondContact O-CG 3.42Å
633	L	70.4	Confident	74.7	Confident	5 Å²	5	51.3 Å²	51.3	3%	0.026	28%	0.277	C	S	.	.	H	α-helix	trans	-63.8	-39.4	-179.7	-171	67.4	0	0	0	112.7	L619 D629 Y847 F848 L851	L619-L633 HydrophobicContact CD1-CD2 3.78Å; D629-L633 WeakPolarHBondContact O-CB 3.35Å; D629-L633 PolarHBondContact O-N 3.31Å; L633-Y847 HydrophobicContact CB-CE1 4.31Å; L633-Y847 HydrophobicContact CD1-CD1 4.25Å; L633-F848 HydrophobicContact CD1-CB 3.77Å; L633-F848 HydrophobicContact CD1-CD2 3.99Å; L633-F848 HydrophobicContact CD1-CG 4.25Å; L633-L851 HydrophobicContact CD2-CD1 4.38Å
634	F	72.8	Confident	75.9	Confident	7 Å²	7	50.3 Å²	50.3	3%	0.031	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	29.8	-177.4	-58.4	-56.4	0	0	0	113.5	R616 L619 L630 S632 N636 I637 L874 F877 L878	R616-F634 HydrophobicContact CB-CD2 4.31Å; R616-F634 HydrophobicContact CB-CE2 4.43Å; R616-F634 HydrophobicContact CG-CD2 4.12Å; L619-F634 HydrophobicContact CD1-CE2 3.82Å; L619-F634 HydrophobicContact CD1-CZ 3.76Å; L630-F634 HydrophobicContact CD2-CD2 4.41Å; L630-F634 HydrophobicContact CD2-CE2 4.14Å; L630-F634 WeakPolarHBondContact O-CB 3.37Å; L630-F634 WeakPolarHBondContact O-CD2 3.43Å; L630-F634 PolarHBondContact O-N 3.26Å; S632-F634 PolarHBondContact O-N 3.36Å; F634-N636 PolarHBondContact O-N 3.02Å; F634-I637 HydrophobicContact CB-CG2 3.84Å; F634-I637 WeakPolarHBondContact O-CG2 3.08Å; F634-I637 PolarHBondContact O-N 3.17Å; F634-I637 VanDerWaalsContact O-N 3.15Å; F634-L874 HydrophobicContact CE1-CD1 4.32Å; F634-F877 AromaticContact CD1-CE1 3.94Å; F634-F877 HydrophobicContact CD1-CE1 3.94Å; F634-F877 HydrophobicContact CE1-CD1 4.37Å; F634-F877 AromaticContact CE1-CE1 3.76Å; F634-F877 HydrophobicContact CE1-CE1 3.76Å; F634-L878 HydrophobicContact CD1-CD2 4.44Å; F634-L878 HydrophobicContact CE1-CD2 4.4Å
635	Y	73	Confident	77.1	Confident	122 Å²	122	44.9 Å²	44.9	48%	0.478	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	130.4	-178.2	-169.6	-102.5	0	0	0	112	N631 I637 Y837 R844	N631-Y635 WeakPolarHBondContact O-CA 3.38Å; N631-Y635 VanDerWaalsContact O-CB 3.32Å; N631-Y635 WeakPolarHBondContact O-CB 3.1Å; N631-Y635 PolarHBondContact O-N 3.42Å; Y635-I637 PolarHBondContact O-N 3.45Å; Y635-Y837 WeakPolarHBondContact O-CD2 3.47Å; Y635-Y837 WeakPolarHBondContact O-CE2 3.49Å; Y635-R844 PolarHBondContact O-NH1 3.09Å
636	N	81.1	Confident	78.1	Confident	20 Å²	20	48.6 Å²	48.6	11%	0.107	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	-6.3	179	-148.1	-4.7	0	0	0	117.6	F634 V638 E639 V640 Q833	F634-N636 PolarHBondContact O-N 3.02Å; N636-V638 PolarHBondContact O-N 3.47Å; N636-V638 VanDerWaalsContact O-N 3.08Å; N636-E639 PolarHBondContact O-N 3.15Å; N636-E639 WeakPolarHBondContact OD1-CB 3.34Å; N636-V640 PolarHBondContact O-N 2.78Å; N636-Q833 PolarHBondContact ND2-O 2.88Å; N636-Q833 PolarHBondContact ND2-OE1 3.29Å; N636-Q833 PolarHBondContact OD1-OE1 3.44Å
637	I	83.4	Confident	79.1	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-28.3	-169	-152	162.5	0	0	0	113.8	L608 I612 F634 Y635 A641 Y837 F877 P881	L608-I637 HydrophobicContact CD2-CG1 4.31Å; I612-I637 HydrophobicContact CD1-CG2 4.19Å; I612-I637 HydrophobicContact CG1-CG2 4.04Å; F634-I637 HydrophobicContact CB-CG2 3.84Å; F634-I637 WeakPolarHBondContact O-CG2 3.08Å; F634-I637 PolarHBondContact O-N 3.17Å; F634-I637 VanDerWaalsContact O-N 3.15Å; Y635-I637 PolarHBondContact O-N 3.45Å; I637-A641 VanDerWaalsContact O-CB 3.3Å; I637-A641 WeakPolarHBondContact O-CB 3.32Å; I637-A641 PolarHBondContact O-N 2.75Å; I637-Y837 HydrophobicContact CB-CE2 3.97Å; I637-Y837 HydrophobicContact CD1-CE2 3.93Å; I637-Y837 HydrophobicContact CG1-CE2 3.95Å; I637-F877 HydrophobicContact CD1-CD1 4.4Å; I637-F877 HydrophobicContact CD1-CE1 3.73Å; I637-F877 HydrophobicContact CD1-CE2 3.92Å; I637-F877 HydrophobicContact CD1-CZ 3.46Å; I637-F877 VanDerWaalsContact CD1-CZ 3.46Å; I637-F877 HydrophobicContact CG1-CZ 4.38Å; I637-P881 HydrophobicContact CD1-CG 4.31Å; I637-P881 HydrophobicContact CG1-CG 4.19Å
638	V	84.6	Confident	80	Confident	61 Å²	61	41.6 Å²	41.6	37%	0.37	22%	0.218	S	C	.	.	H	α-helix	trans	-72.2	-36.1	179.3	-176.5	0	0	0	0	111.1	N636 S642	N636-V638 PolarHBondContact O-N 3.47Å; N636-V638 VanDerWaalsContact O-N 3.08Å; V638-S642 WeakPolarHBondContact O-CB 3.29Å; V638-S642 PolarHBondContact O-N 3.03Å
639	E	84.5	Confident	80.9	Confident	109 Å²	109	41.4 Å²	41.4	51%	0.509	21%	0.214	S	C	.	.	H	α-helix	trans	-77.9	-40.7	178.3	-46.2	-166.3	-165.7	0	0	110.3	N636 A641 S642 Q643 Q833	N636-E639 PolarHBondContact O-N 3.15Å; N636-E639 WeakPolarHBondContact OD1-CB 3.34Å; E639-A641 VanDerWaalsContact C-N 3.31Å; E639-A641 PolarHBondContact O-N 3.26Å; E639-S642 CarbonylContact O-C 3.58Å; E639-S642 WeakPolarHBondContact O-CA 3.47Å; E639-S642 WeakPolarHBondContact O-CB 3.08Å; E639-S642 PolarHBondContact O-N 3.18Å; E639-S642 VanDerWaalsContact O-N 3.08Å; E639-Q643 WeakPolarHBondContact O-CG 3.37Å; E639-Q643 PolarHBondContact O-N 3.4Å; E639-Q833 PolarHBondContact OE2-NE2 3.31Å
640	V	86.5	Confident	81.5	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-54.1	-47.3	169.1	174.6	0	0	0	0	111	N636 S642 Q643 T644 Q833 P881 I884	N636-V640 PolarHBondContact O-N 2.78Å; V640-S642 PolarHBondContact O-N 2.95Å; V640-Q643 PolarHBondContact O-N 2.59Å; V640-T644 VanDerWaalsContact O-CB 3.31Å; V640-T644 WeakPolarHBondContact O-CB 3.37Å; V640-T644 PolarHBondContact O-N 3.39Å; V640-T644 PolarHBondContact O-OG1 3.02Å; V640-Q833 HydrophobicContact CG2-CB 3.89Å; V640-Q833 WeakPolarHBondContact CG2-O 3.19Å; V640-P881 HydrophobicContact CG1-CB 4.16Å; V640-P881 HydrophobicContact CG1-CG 4.41Å; V640-I884 HydrophobicContact CG1-CD1 3.46Å; V640-I884 VanDerWaalsContact CG1-CD1 3.46Å
641	A	86.6	Confident	82	Confident	10 Å²	10	41.8 Å²	41.8	8%	0.083	22%	0.216	C	C	.	.	H	α-helix	trans	-64.3	-37.7	175.6	0	0	0	0	0	112.7	L608 I612 I637 E639 T644 C645	L608-A641 HydrophobicContact CB-CB 4.14Å; L608-A641 HydrophobicContact CD1-CB 4.46Å; I612-A641 HydrophobicContact CD1-CB 3.59Å; I637-A641 VanDerWaalsContact O-CB 3.3Å; I637-A641 WeakPolarHBondContact O-CB 3.32Å; I637-A641 PolarHBondContact O-N 2.75Å; E639-A641 VanDerWaalsContact C-N 3.31Å; E639-A641 PolarHBondContact O-N 3.26Å; A641-T644 PolarHBondContact O-N 3.42Å; A641-C645 VanDerWaalsContact O-CB 3.29Å; A641-C645 WeakPolarHBondContact O-CB 3.43Å; A641-C645 PolarHBondContact O-N 3.46Å
642	S	86.6	Confident	82.4	Confident	55 Å²	55	41.1 Å²	41.1	39%	0.385	21%	0.211	S	C	.	.	H	α-helix	trans	-63.9	-48.8	175.4	-175.8	0	0	0	0	112.2	V638 E639 V640 C645 K646	V638-S642 WeakPolarHBondContact O-CB 3.29Å; V638-S642 PolarHBondContact O-N 3.03Å; E639-S642 CarbonylContact O-C 3.58Å; E639-S642 WeakPolarHBondContact O-CA 3.47Å; E639-S642 WeakPolarHBondContact O-CB 3.08Å; E639-S642 PolarHBondContact O-N 3.18Å; E639-S642 VanDerWaalsContact O-N 3.08Å; V640-S642 PolarHBondContact O-N 2.95Å; S642-C645 PolarHBondContact O-N 2.9Å; S642-K646 WeakPolarHBondContact O-CG 3.2Å; S642-K646 PolarHBondContact O-N 2.82Å
643	Q	86.2	Confident	82.6	Confident	37 Å²	37	44.1 Å²	44.1	17%	0.173	22%	0.222	C	C	.	.	H	α-helix	trans	-65.6	-38.9	176.6	-57.3	-62.1	25.5	0	0	111.4	E639 V640 C645 K646 L647 L830	E639-Q643 WeakPolarHBondContact O-CG 3.37Å; E639-Q643 PolarHBondContact O-N 3.4Å; V640-Q643 PolarHBondContact O-N 2.59Å; Q643-C645 PolarHBondContact O-N 2.89Å; Q643-K646 PolarHBondContact O-N 3.15Å; Q643-L647 WeakPolarHBondContact O-CB 3.26Å; Q643-L647 PolarHBondContact O-N 3.24Å; Q643-L830 HydrophobicContact CB-CB 4.46Å; Q643-L830 HydrophobicContact CB-CD1 3.83Å
644	T	86.4	Confident	82.6	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-42.1	174.1	-56	0	0	0	0	111.6	L608 V640 A641 L647 K648 I884	L608-T644 HydrophobicContact CD1-CG2 4.47Å; V640-T644 VanDerWaalsContact O-CB 3.31Å; V640-T644 WeakPolarHBondContact O-CB 3.37Å; V640-T644 PolarHBondContact O-N 3.39Å; V640-T644 PolarHBondContact O-OG1 3.02Å; A641-T644 PolarHBondContact O-N 3.42Å; T644-L647 PolarHBondContact O-N 2.92Å; T644-K648 WeakPolarHBondContact O-CB 3.34Å; T644-K648 PolarHBondContact O-N 3.3Å; T644-I884 WeakPolarHBondContact OG1-CD1 3.07Å
645	C	86.6	Confident	82.3	Confident	35 Å²	35	44.8 Å²	44.8	24%	0.236	23%	0.231	C	C	.	.	H	α-helix	trans	-67.9	-39.7	177.6	-167.7	0	0	0	0	112.1	A641 S642 Q643 K648 Q649	A641-C645 VanDerWaalsContact O-CB 3.29Å; A641-C645 WeakPolarHBondContact O-CB 3.43Å; A641-C645 PolarHBondContact O-N 3.46Å; S642-C645 PolarHBondContact O-N 2.9Å; Q643-C645 PolarHBondContact O-N 2.89Å; C645-K648 WeakPolarHBondContact O-CB 3.37Å; C645-K648 PolarHBondContact O-N 3.37Å; C645-Q649 WeakPolarHBondContact O-CB 3.35Å; C645-Q649 WeakPolarHBondContact O-CG 3.49Å; C645-Q649 PolarHBondContact O-N 2.89Å
646	K	86.8	Confident	81.7	Confident	88 Å²	88	41.2 Å²	41.2	38%	0.383	22%	0.22	S	C	.	.	H	α-helix	trans	-62.4	-45	172.1	-68.8	170.3	-161.5	167.1	0	111.9	S642 Q643 K648 Q649 N650	S642-K646 WeakPolarHBondContact O-CG 3.2Å; S642-K646 PolarHBondContact O-N 2.82Å; Q643-K646 PolarHBondContact O-N 3.15Å; K646-K648 VanDerWaalsContact C-N 3.35Å; K646-K648 PolarHBondContact O-N 3.47Å; K646-Q649 PolarHBondContact O-N 3.49Å; K646-N650 WeakPolarHBondContact O-CB 3.16Å; K646-N650 PolarHBondContact O-N 3.23Å; K646-N650 PolarHBondContact O-OD1 3.26Å
647	L	86.9	Confident	79.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.6	-43.6	176.5	174.2	55.9	0	0	0	111.3	L601 Q643 T644 Q649 N650 L651 V823 L830 L888	L601-L647 HydrophobicContact CD1-CG 4.41Å; Q643-L647 WeakPolarHBondContact O-CB 3.26Å; Q643-L647 PolarHBondContact O-N 3.24Å; T644-L647 PolarHBondContact O-N 2.92Å; L647-Q649 PolarHBondContact O-N 3.49Å; L647-N650 PolarHBondContact O-N 2.91Å; L647-L651 HydrophobicContact CD1-CD1 3.74Å; L647-L651 HydrophobicContact CD1-CG 4.01Å; L647-L651 HydrophobicContact CG-CD1 4.15Å; L647-L651 PolarHBondContact O-N 3.43Å; L647-V823 HydrophobicContact CD1-CG2 4Å; L647-L830 HydrophobicContact CD2-CD2 3.63Å; L647-L888 HydrophobicContact CD2-CD1 4.12Å; L647-L888 HydrophobicContact CD2-CD2 3.8Å
648	K	86.6	Confident	77.8	Confident	33 Å²	33	49.9 Å²	49.9	14%	0.143	26%	0.257	C	S	.	.	H	α-helix	trans	-55.9	-51.1	172.6	-170.2	-163.4	77.4	-177.4	0	111.3	I602 T644 C645 K646 N650 L651 Q652	I602-K648 HydrophobicContact CB-CD 4.41Å; I602-K648 HydrophobicContact CG1-CD 3.84Å; I602-K648 HydrophobicContact CG1-CG 4.08Å; T644-K648 WeakPolarHBondContact O-CB 3.34Å; T644-K648 PolarHBondContact O-N 3.3Å; C645-K648 WeakPolarHBondContact O-CB 3.37Å; C645-K648 PolarHBondContact O-N 3.37Å; K646-K648 VanDerWaalsContact C-N 3.35Å; K646-K648 PolarHBondContact O-N 3.47Å; K648-N650 PolarHBondContact O-N 3.46Å; K648-L651 PolarHBondContact O-N 3.01Å; K648-Q652 WeakPolarHBondContact O-CB 3.33Å; K648-Q652 VanDerWaalsContact O-CG 3.26Å; K648-Q652 WeakPolarHBondContact O-CG 3.27Å; K648-Q652 PolarHBondContact O-N 2.89Å
649	Q	84.9	Confident	75.3	Confident	95 Å²	95	51 Å²	51	44%	0.444	27%	0.273	S	S	.	.	H	α-helix	trans	-61.5	-42.4	178	-74	174.2	-6.2	0	0	112.3	C645 K646 L647 Q652 N653	C645-Q649 WeakPolarHBondContact O-CB 3.35Å; C645-Q649 WeakPolarHBondContact O-CG 3.49Å; C645-Q649 PolarHBondContact O-N 2.89Å; K646-Q649 PolarHBondContact O-N 3.49Å; L647-Q649 PolarHBondContact O-N 3.49Å; Q649-Q652 PolarHBondContact O-N 3.33Å; Q649-N653 VanDerWaalsContact O-CB 3.23Å; Q649-N653 WeakPolarHBondContact O-CB 3.39Å; Q649-N653 PolarHBondContact O-N 3.34Å; Q649-N653 PolarHBondContact O-ND2 2.82Å; Q649-N653 VanDerWaalsContact O-ND2 3.17Å
650	N	83.7	Confident	72.6	Confident	65 Å²	65	54.4 Å²	54.4	35%	0.348	29%	0.291	S	S	.	.	H	α-helix	trans	-65.5	-41.9	179.8	-71.2	-8.1	0	0	0	112	K646 L647 K648 G654 I822	K646-N650 WeakPolarHBondContact O-CB 3.16Å; K646-N650 PolarHBondContact O-N 3.23Å; K646-N650 PolarHBondContact O-OD1 3.26Å; L647-N650 PolarHBondContact O-N 2.91Å; K648-N650 PolarHBondContact O-N 3.46Å; N650-G654 PolarHBondContact O-N 3.36Å; N650-I822 HydrophobicContact CB-CG2 3.75Å
651	L	82	Confident	69.8	Low	2 Å²	2	59.7 Å²	59.7	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-69.7	-40.8	175.5	-76.1	169.4	0	0	0	112.2	I598 L601 L647 K648 C655 P819 I822 V823	I598-L651 HydrophobicContact CG1-CB 4.27Å; L601-L651 HydrophobicContact CD1-CD1 3.51Å; L647-L651 HydrophobicContact CD1-CD1 3.74Å; L647-L651 HydrophobicContact CD1-CG 4.01Å; L647-L651 HydrophobicContact CG-CD1 4.15Å; L647-L651 PolarHBondContact O-N 3.43Å; K648-L651 PolarHBondContact O-N 3.01Å; L651-C655 WeakPolarHBondContact O-CB 3.5Å; L651-C655 PolarHBondContact O-N 2.82Å; L651-P819 HydrophobicContact CD2-CB 4.12Å; L651-I822 HydrophobicContact CD2-CB 4.2Å; L651-I822 HydrophobicContact CD2-CG2 3.86Å; L651-I822 HydrophobicContact CG-CG2 4.06Å; L651-V823 HydrophobicContact CD1-CG2 4.35Å; L651-V823 HydrophobicContact CD2-CG2 4.3Å
652	Q	80.2	Confident	67.1	Low	58 Å²	58	66.8 Å²	66.8	27%	0.271	36%	0.364	S	S	.	.	H	α-helix	trans	-62.4	-48.4	174.4	-71.7	-177.7	-67.7	0	0	111.4	I598 K648 Q649 G654 L656	I598-Q652 HydrophobicContact CG2-CG 3.92Å; K648-Q652 WeakPolarHBondContact O-CB 3.33Å; K648-Q652 VanDerWaalsContact O-CG 3.26Å; K648-Q652 WeakPolarHBondContact O-CG 3.27Å; K648-Q652 PolarHBondContact O-N 2.89Å; Q649-Q652 PolarHBondContact O-N 3.33Å; Q652-G654 PolarHBondContact O-N 2.88Å; Q652-L656 HydrophobicContact CB-CD1 4.22Å; Q652-L656 HydrophobicContact CG-CD1 4.1Å; Q652-L656 WeakPolarHBondContact O-CA 3.48Å; Q652-L656 WeakPolarHBondContact O-CB 3.36Å; Q652-L656 PolarHBondContact O-N 2.85Å
653	N	75.6	Confident	64.3	Low	124 Å²	124	71.8 Å²	71.8	66%	0.663	38%	0.381	S	S	*	.	H	α-helix	trans	-70.8	-30.6	-178.9	-66.6	-23.2	0	0	0	113.2	Q649	Q649-N653 VanDerWaalsContact O-CB 3.23Å; Q649-N653 WeakPolarHBondContact O-CB 3.39Å; Q649-N653 PolarHBondContact O-N 3.34Å; Q649-N653 PolarHBondContact O-ND2 2.82Å; Q649-N653 VanDerWaalsContact O-ND2 3.17Å
654	G	69.2	Low	61.5	Low	22 Å²	22	76.5 Å²	76.5	23%	0.227	41%	0.412	C	S	.	.	H	α-helix	trans	-83	-44	-179.1	0	0	0	0	0	113.6	N650 Q652	N650-G654 PolarHBondContact O-N 3.36Å; Q652-G654 PolarHBondContact O-N 2.88Å
655	C	68.4	Low	58.9	Low	3 Å²	3	82.4 Å²	82.4	2%	0.02	45%	0.454	C	S	.	.	H	α-helix	trans	-101.9	-11.2	-173.2	-57.8	0	0	0	0	114.7	I594 I598 L651	I594-C655 HydrophobicContact CG2-CB 3.91Å; I598-C655 HydrophobicContact CD1-CB 4.49Å; L651-C655 WeakPolarHBondContact O-CB 3.5Å; L651-C655 PolarHBondContact O-N 2.82Å
656	L	59.4	Low	56.2	Low	47 Å²	47	86 Å²	86	25%	0.246	48%	0.479	C	S	.	.			trans	-115.8	35.7	177.8	-43.3	175.8	0	0	0	115.2	I575 I598 Q652	I575-L656 HydrophobicContact CG2-CD2 3.31Å; I598-L656 HydrophobicContact CD1-CD1 4.09Å; I598-L656 HydrophobicContact CD1-CD2 3.92Å; I598-L656 HydrophobicContact CD1-CG 3.98Å; I598-L656 HydrophobicContact CG2-CD1 4.4Å; Q652-L656 HydrophobicContact CB-CD1 4.22Å; Q652-L656 HydrophobicContact CG-CD1 4.1Å; Q652-L656 WeakPolarHBondContact O-CA 3.48Å; Q652-L656 WeakPolarHBondContact O-CB 3.36Å; Q652-L656 PolarHBondContact O-N 2.85Å
657	P	43.6	Very low	53.4	Low	31 Å²	31	87.6 Å²	87.6	20%	0.201	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	144.4	174.1	29.7	-33.4	0	0	0	111	L816	P657-L816 HydrophobicContact CG-CB 4.34Å; P657-L816 HydrophobicContact CG-CD1 3.86Å; P657-L816 HydrophobicContact CG-CD2 4.44Å; P657-L816 HydrophobicContact CG-CG 4.43Å
658	Y	38.8	Very low	50.7	Low	173 Å²	173	93.6 Å²	93.6	68%	0.678	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.2	-8.9	172.2	-58.8	-60.2	0	0	0	118.9	L816	Y658-L816 HydrophobicContact CE2-CD1 4.11Å
659	A	31.7	Very low	48.1	Very low	85 Å²	85	98.2 Å²	98.2	70%	0.702	57%	0.569	S	S	*	*	S	Bend	trans	-89.6	-1.6	179.2	0	0	0	0	0	116.1
660	M	28.7	Very low	45.6	Very low	180 Å²	180	99.1 Å²	99.1	89%	0.887	59%	0.585	S	S	*	*			trans	-134.1	85.5	-171.2	-72.8	-69.8	151.3	0	0	113.1
661	S	28.4	Very low	43	Very low	110 Å²	110	99.7 Å²	99.7	77%	0.769	61%	0.607	S	S	*	*			trans	-142.8	88	165.6	65.3	0	0	0	0	112
662	N	29	Very low	40.6	Very low	160 Å²	160	105.1 Å²	105.1	86%	0.856	64%	0.642	S	S	*	*			trans	16.5	134.3	160.1	-59.5	-3.1	0	0	0	120.9
663	H	28.6	Very low	38.1	Very low	159 Å²	159	109.6 Å²	109.6	74%	0.736	67%	0.667	S	S	*	*			trans	-52.3	150.6	166.2	-55.3	-89.2	0	0	0	114.7
664	T	27	Very low	35.9	Very low	137 Å²	137	110 Å²	110	84%	0.84	67%	0.668	S	S	*	*			trans	51.3	95.9	146.6	55.3	0	0	0	0	118.9
665	S	30.5	Very low	34	Very low	124 Å²	124	117.1 Å²	117.1	87%	0.867	69%	0.693	S	S	*	*			trans	-150.4	125.6	132.8	47.9	0	0	0	0	110.6
666	S	30.1	Very low	32	Very low	109 Å²	109	123.4 Å²	123.4	76%	0.762	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-83.6	153.3	178	49.4	0	0	0	0	111.8
667	P	29.5	Very low	30.5	Very low	122 Å²	122	124.5 Å²	124.5	79%	0.792	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-80.8	139.9	-172.3	32	-35.5	0	0	0	113.3
668	P	30.1	Very low	29.7	Very low	126 Å²	126	129.3 Å²	129.3	82%	0.818	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-91.6	129.2	162.1	33.2	-29.3	0	0	0	111.5
669	T	31.9	Very low	29.2	Very low	131 Å²	131	127.9 Å²	127.9	80%	0.804	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-70	147.6	-179.1	-30.7	0	0	0	0	112.9
670	S	31.2	Very low	29	Very low	113 Å²	113	130.2 Å²	130.2	79%	0.79	79%	0.786	S	S	*	*			trans	16.4	121	156.1	62	0	0	0	0	120.4
671	G	29.9	Very low	29	Very low	78 Å²	78	127 Å²	127	80%	0.804	77%	0.772	S	S	*	*			trans	175.8	110.3	161.8	0	0	0	0	0	113.2
672	P	32	Very low	29.1	Very low	115 Å²	115	130.2 Å²	130.2	75%	0.747	77%	0.772	S	S	*	*			trans	-104.2	162.4	-173.5	39	-34.9	0	0	0	115
673	L	26.8	Very low	29.4	Very low	153 Å²	153	129.6 Å²	129.6	80%	0.801	77%	0.769	S	S	*	*			trans	76.7	133.1	156.3	-97.2	65.8	0	0	0	120.9
674	I	29.2	Very low	29.4	Very low	131 Å²	131	130.9 Å²	130.9	67%	0.672	77%	0.773	S	S	*	*			trans	88.6	101.2	137.7	-72.6	174.8	0	0	0	120.8
675	K	28.7	Very low	29.7	Very low	173 Å²	173	132.8 Å²	132.8	75%	0.752	78%	0.777	S	S	*	*				65.4	119.4	127.4	-64.9	-172.6	-179.1	178.1	0	122.4
676	T	27.4	Very low	29.8	Very low	135 Å²	135	135.5 Å²	135.5	83%	0.828	77%	0.773	S	S	*	*				51.9	130.7	128	66.9	0	0	0	0	121.2
677	G	26.9	Very low	30	Very low	69 Å²	69	135.7 Å²	135.7	71%	0.711	77%	0.772	S	S	*	*			trans	158.6	66.6	152.9	0	0	0	0	0	118.7
678	V	27	Very low	30	Very low	133 Å²	133	134.8 Å²	134.8	81%	0.806	76%	0.764	S	S	*	*				34.1	138.8	122	173.7	0	0	0	0	120.4
679	L	29.1	Very low	30	Very low	143 Å²	143	136.7 Å²	136.7	75%	0.749	77%	0.767	S	S	*	*			trans	85	99.5	162.4	-77.1	163.8	0	0	0	121.3
680	N	26.9	Very low	29.9	Very low	133 Å²	133	135.7 Å²	135.7	71%	0.711	77%	0.765	S	S	*	*				70.3	147.8	114.8	-86.4	-0.1	0	0	0	125.7
681	N	29.4	Very low	30	Very low	113 Å²	113	135.5 Å²	135.5	60%	0.604	76%	0.763	S	S	*	*			trans	85.1	107	146.2	-78.4	-33.4	0	0	0	122
682	K	30	Very low	30	Very low	177 Å²	177	137 Å²	137	77%	0.77	76%	0.762	S	S	*	*				44.5	119.2	116.7	-58.4	171.1	-170.2	166.4	0	119.1
683	N	34.7	Very low	30	Very low	147 Å²	147	134.4 Å²	134.4	79%	0.786	76%	0.756	S	S	*	*				-162.9	136.9	102.8	-86	-37.4	0	0	0	108.7
684	K	30	Very low	30.1	Very low	186 Å²	186	132.3 Å²	132.3	81%	0.809	75%	0.754	S	S	*	*				68.5	105.1	62.2	-121.7	-165.6	-174.2	-170.1	0	113.6
685	L	33.5	Very low	30	Very low	178 Å²	178	131.5 Å²	131.5	93%	0.932	76%	0.755	S	S	*	*				179.7	162.2	122.9	-94.3	163.1	0	0	0	112.4
686	K	32.6	Very low	30.1	Very low	180 Å²	180	131.2 Å²	131.2	78%	0.783	76%	0.756	S	S	*	*			trans	-161	131.4	-175.9	178.4	-171.5	-179.5	-176.7	0	111.3
687	P	32.7	Very low	30	Very low	114 Å²	114	129.1 Å²	129.1	74%	0.74	75%	0.747	S	S	*	*			trans	-128.1	140.9	146.4	13.7	8.1	0	0	0	110.7
688	T	29.2	Very low	30.1	Very low	103 Å²	103	133.3 Å²	133.3	63%	0.632	75%	0.749	S	S	*	*			cis	103.2	148.6	31.4	55.3	0	0	0	0	113.7
689	L	31	Very low	30	Very low	166 Å²	166	130.4 Å²	130.4	87%	0.869	73%	0.734	S	S	*	*			trans	75.3	137	179.2	-58.8	125.5	0	0	0	114.3
690	S	30.2	Very low	29.9	Very low	109 Å²	109	131.7 Å²	131.7	76%	0.762	73%	0.734	S	S	*	*			cis	-158.8	-176.2	-6.5	61.3	0	0	0	0	109.1
691	S	32.9	Very low	29.9	Very low	109 Å²	109	133.1 Å²	133.1	76%	0.762	73%	0.734	S	S	*	*			cis	-147.9	-92.3	11.7	52.5	0	0	0	0	114.9
692	S	30.6	Very low	29.8	Very low	111 Å²	111	132.6 Å²	132.6	78%	0.776	74%	0.735	S	S	*	*			trans	-135.3	156.2	-161.5	48.7	0	0	0	0	111.4
693	G	31.1	Very low	29.8	Very low	60 Å²	60	130.2 Å²	130.2	62%	0.619	73%	0.73	S	S	*	*			cis	-171	153.5	3	0	0	0	0	0	110.1
694	S	28.9	Very low	29.4	Very low	109 Å²	109	127 Å²	127	76%	0.762	72%	0.72	S	S	*	*				74.6	126.3	96.8	68	0	0	0	0	114
695	T	27.9	Very low	29.7	Very low	113 Å²	113	127.9 Å²	127.9	69%	0.693	72%	0.719	S	S	*	*			cis	-165.4	168.7	15.2	-8.7	0	0	0	0	113
696	Q	30	Very low	29.6	Very low	167 Å²	167	124 Å²	124	78%	0.78	70%	0.703	S	S	*	*			trans	68.9	116	155.1	-72.5	157.3	9.9	0	0	116.1
697	S	26.4	Very low	29.5	Very low	91 Å²	91	124.3 Å²	124.3	64%	0.636	70%	0.704	S	S	*	*				78.9	147.7	65.3	86	0	0	0	0	112.2
698	E	28	Very low	29.5	Very low	158 Å²	158	128.8 Å²	128.8	74%	0.738	71%	0.708	S	S	*	*			cis	-146.5	130.6	12.5	-123.7	137.1	-114.2	0	0	107.3
699	S	25.6	Very low	29.5	Very low	71 Å²	71	129 Å²	129	50%	0.497	71%	0.706	S	S	.	*				87.8	152	82.4	87.4	0	0	0	0	115.6
700	F	26.8	Very low	29.7	Very low	171 Å²	171	127.9 Å²	127.9	75%	0.75	70%	0.7	S	S	*	*			trans	65.8	160.6	164.3	-54.9	-37.3	0	0	0	117
701	K	27	Very low	29.6	Very low	162 Å²	162	132 Å²	132	70%	0.704	70%	0.699	S	S	*	*			cis	-172.6	164.6	-22.1	-98.7	173	179.1	160.7	0	104.9
702	T	26.7	Very low	29.6	Very low	102 Å²	102	133.6 Å²	133.6	63%	0.626	70%	0.698	S	S	*	*			cis	-157.7	179.2	-8.2	21	0	0	0	0	107.5
703	D	30	Very low	29.5	Very low	127 Å²	127	133.4 Å²	133.4	68%	0.679	69%	0.692	S	S	*	*			trans	71.2	124.1	157.2	-53.5	-45.2	0	0	0	116.7
704	S	26.9	Very low	29.3	Very low	80 Å²	80	137.3 Å²	137.3	56%	0.559	70%	0.704	S	S	*	*				65.4	135.9	53.1	97.8	0	0	0	0	111.5
705	Y	35.1	Very low	29.3	Very low	204 Å²	204	136 Å²	136	80%	0.8	71%	0.707	S	S	*	*			cis	-137.4	175.5	37.4	-73.4	-110.8	0	0	0	112.3
706	T	32.9	Very low	29.2	Very low	97 Å²	97	134.8 Å²	134.8	60%	0.595	72%	0.718	S	S	*	*			cis	-168.7	140.7	-41.7	40.8	0	0	0	0	109
707	K	29.3	Very low	29.1	Very low	186 Å²	186	130.6 Å²	130.6	81%	0.809	72%	0.719	S	S	*	*			trans	67.1	148.8	159.6	-65.4	171.5	-179.8	-177.9	0	115.9
708	Y	33.3	Very low	29	Very low	208 Å²	208	138.4 Å²	138.4	82%	0.816	73%	0.734	S	S	*	*			cis	-113.1	157.3	23.5	-108.6	-102.5	0	0	0	115.6
709	N	29.6	Very low	28.9	Very low	109 Å²	109	134.4 Å²	134.4	58%	0.583	74%	0.736	S	S	*	*			trans	-152.8	133.8	176.7	-120.9	-80	0	0	0	107.4	R711	N709-R711 PolarHBondContact OD1-NE 3.4Å
710	D	33.9	Very low	29	Very low	141 Å²	141	138.7 Å²	138.7	75%	0.754	75%	0.752	S	S	*	*			trans	-157.4	112.2	152.4	-84.9	-41.2	0	0	0	104.1
711	R	28.5	Very low	29.1	Very low	195 Å²	195	138.6 Å²	138.6	74%	0.736	75%	0.753	S	S	*	*			cis	58.8	117.2	39.2	-55.9	-170.6	173.7	-155.2	-4.1	111.3	N709	N709-R711 PolarHBondContact OD1-NE 3.4Å
712	I	32.7	Very low	29.3	Very low	144 Å²	144	140.5 Å²	140.5	74%	0.738	76%	0.762	S	S	*	*				-163.3	115.9	95.4	-98.1	160.9	0	0	0	106.6
713	T	28.6	Very low	29.3	Very low	107 Å²	107	145.4 Å²	145.4	66%	0.656	77%	0.769	S	S	*	*				51.9	138.1	96.2	59.5	0	0	0	0	114.4
714	T	27.5	Very low	29.2	Very low	142 Å²	142	149.9 Å²	149.9	87%	0.871	78%	0.783	S	S	*	*			cis	-169.9	157.1	5.8	11	0	0	0	0	108.8
715	G	29.5	Very low	29.5	Very low	81 Å²	81	150.9 Å²	150.9	84%	0.835	79%	0.79	S	S	*	*			trans	157	114	162.5	0	0	0	0	0	114.9
716	G	25	Very low	29.2	Very low	88 Å²	88	150.3 Å²	150.3	91%	0.907	79%	0.792	S	S	*	*			trans	-100.2	146.1	170.9	0	0	0	0	0	112
717	G	27.9	Very low	29	Very low	78 Å²	78	151.5 Å²	151.5	80%	0.804	79%	0.794	S	S	*	*			trans	-161.6	142.5	176.6	0	0	0	0	0	111.8
718	R	25.2	Very low	28.9	Very low	256 Å²	256	153 Å²	153	97%	0.966	80%	0.8	S	S	*	*			trans	-100.7	125.9	-176.1	-61.4	-178.5	-174.8	-178.6	1.3	112.3
719	G	25.3	Very low	28.6	Very low	74 Å²	74	151.7 Å²	151.7	76%	0.763	80%	0.799	S	S	*	*			trans	93.8	174.4	137.5	0	0	0	0	0	120.5
720	L	27.2	Very low	28.5	Very low	160 Å²	160	154.7 Å²	154.7	84%	0.838	81%	0.814	S	S	*	*			trans	75.5	103	164.8	-59.3	175.2	0	0	0	120.5
721	H	28.8	Very low	28.1	Very low	169 Å²	169	159.8 Å²	159.8	78%	0.782	82%	0.823	S	S	*	*			trans	37.6	115.5	132.7	-82.8	-80.3	0	0	0	121.2
722	K	31.6	Very low	28.2	Very low	202 Å²	202	160.4 Å²	160.4	88%	0.878	83%	0.831	S	S	*	*				-152.5	117.2	127	-91.4	125.7	-176	-179.2	0	107.7
723	R	25.8	Very low	27.9	Very low	205 Å²	205	158.4 Å²	158.4	77%	0.774	83%	0.83	S	S	*	*				60.7	105.1	80.6	-85.9	-168.8	172.6	177.9	-1.1	113.8
724	F	29.1	Very low	27.7	Very low	221 Å²	221	159 Å²	159	97%	0.969	84%	0.839	S	S	*	*			trans	-129.8	111	132.6	-94	-78.1	0	0	0	108.9
725	S	31.7	Very low	27.8	Very low	101 Å²	101	157 Å²	157	71%	0.706	84%	0.836	S	S	*	*			trans	-113.2	99	178.1	54.5	0	0	0	0	109.1	L727	S725-L727 PolarHBondContact O-N 2.87Å
726	F	30.1	Very low	27.7	Very low	193 Å²	193	158.9 Å²	158.9	85%	0.846	84%	0.836	S	S	*	*			trans	-93.5	96	173.7	178.9	-109.2	0	0	0	110.3
727	L	29.1	Very low	27.8	Very low	122 Å²	122	157.9 Å²	157.9	64%	0.639	83%	0.826	S	S	*	*			trans	53	81.1	156.5	-56.3	-175.4	0	0	0	118.6	S725 K729	S725-L727 PolarHBondContact O-N 2.87Å; L727-K729 PolarHBondContact O-N 2.97Å
728	F	25.9	Very low	27.9	Very low	216 Å²	216	164.1 Å²	164.1	95%	0.947	83%	0.834	S	S	*	*			trans	-35.8	117.7	130.9	-121.5	-103.8	0	0	0	111.4
729	K	28.2	Very low	28	Very low	182 Å²	182	161 Å²	161	79%	0.791	83%	0.831	S	S	*	*			trans	-161.5	147.9	156.8	-118.3	168	-173.6	178.9	0	113	L727	L727-K729 PolarHBondContact O-N 2.97Å
730	L	27.2	Very low	28.2	Very low	171 Å²	171	163.4 Å²	163.4	90%	0.895	84%	0.836	S	S	*	*			trans	64	63.9	166.3	-57.6	177	0	0	0	117.9
731	R	24.9	Very low	28.3	Very low	249 Å²	249	160.9 Å²	160.9	94%	0.94	83%	0.832	S	S	*	*			trans	-111.3	92.3	146.2	-168.7	-178.3	-164.7	168.9	6.5	109.7
732	K	31.2	Very low	28.5	Very low	208 Å²	208	158.7 Å²	158.7	90%	0.904	83%	0.832	S	S	*	*			trans	-152.6	140.2	158.5	-127.5	-176.8	-176.5	-172.6	0	111.6
733	S	26.1	Very low	28.5	Very low	101 Å²	101	157 Å²	157	71%	0.706	83%	0.831	S	S	*	*			trans	-80.5	147.1	-174.5	49.5	0	0	0	0	113.5
734	S	25.3	Very low	28.7	Very low	121 Å²	121	154.5 Å²	154.5	85%	0.846	83%	0.833	S	S	*	*			trans	25.4	106.2	131.8	-42.1	0	0	0	0	118.7
735	A	28.4	Very low	28.8	Very low	98 Å²	98	154.8 Å²	154.8	81%	0.81	83%	0.828	S	S	*	*			trans	-163.1	163.3	144.1	0	0	0	0	0	110.3
736	S	27.9	Very low	28.8	Very low	121 Å²	121	156 Å²	156	85%	0.846	82%	0.822	S	S	*	*			trans	-38.2	153.1	165.7	49.2	0	0	0	0	115.1
737	G	26.1	Very low	28.8	Very low	67 Å²	67	152.4 Å²	152.4	69%	0.691	81%	0.812	S	S	*	*			cis	131.7	155	12.1	0	0	0	0	0	110.9
738	Q	30.7	Very low	29.1	Very low	210 Å²	210	153.8 Å²	153.8	98%	0.981	82%	0.82	S	S	*	*			trans	69.6	161.6	-177.4	-67	-169.8	-40.4	0	0	118.1
739	Q	27.6	Very low	29.4	Very low	190 Å²	190	152.9 Å²	152.9	89%	0.888	82%	0.815	S	S	*	*			trans	-108	154.1	-167.9	-53.3	151.3	-43.5	0	0	110.8
740	S	29.9	Very low	29.8	Very low	124 Å²	124	149.3 Å²	149.3	87%	0.867	81%	0.811	S	S	*	*			trans	-165.1	155.8	131.7	56	0	0	0	0	112.6
741	S	28.7	Very low	29.9	Very low	108 Å²	108	145.3 Å²	145.3	76%	0.755	80%	0.802	S	S	*	*			trans	-74.7	161	-169	45.1	0	0	0	0	116
742	P	33.2	Very low	30.2	Very low	122 Å²	122	139.9 Å²	139.9	79%	0.792	79%	0.792	S	S	*	*			trans	-84.4	160.7	178.8	36	-37	0	0	0	113.7
743	I	32.3	Very low	30.1	Very low	168 Å²	168	135.8 Å²	135.8	86%	0.862	78%	0.78	S	S	*	*			trans	-135.2	138.8	166	-66.2	-176.3	0	0	0	109.6
744	N	29.3	Very low	30.4	Very low	151 Å²	151	138.2 Å²	138.2	81%	0.807	78%	0.78	S	S	*	*			trans	-76.5	154.5	179.8	-62.9	-45.5	0	0	0	113
745	R	31.4	Very low	30.8	Very low	227 Å²	227	138 Å²	138	86%	0.857	77%	0.77	S	S	*	*			trans	176.8	151.8	138.8	-100.2	-168.8	163.8	138.8	2.9	110.8
746	E	30.4	Very low	30.9	Very low	126 Å²	126	139.4 Å²	139.4	59%	0.589	76%	0.763	S	S	*	*			cis	-167.1	136.4	-32.2	-119.1	-172.7	111.5	0	0	107.7
747	N	30.3	Very low	31.1	Very low	119 Å²	119	138.5 Å²	138.5	64%	0.636	75%	0.753	S	S	*	*			trans	70.6	147.3	145.4	-52.2	-22.8	0	0	0	124.3
748	N	35.1	Very low	31.4	Very low	150 Å²	150	141.5 Å²	141.5	80%	0.802	75%	0.753	S	S	*	*			trans	73.2	107.8	154.3	-56.5	-20.6	0	0	0	118.7
749	K	33.6	Very low	31.5	Very low	197 Å²	197	139.9 Å²	139.9	86%	0.857	74%	0.743	S	S	*	*			cis	54.5	146.7	49.7	-117.9	-173.1	-177.9	-177.5	0	112.8
750	P	36.7	Very low	31.4	Very low	107 Å²	107	141.6 Å²	141.6	70%	0.695	74%	0.741	S	S	*	*			cis	-144.2	161.4	9.5	43.2	-24.2	0	0	0	119.5
751	A	29.5	Very low	31.5	Very low	87 Å²	87	139.6 Å²	139.6	72%	0.719	73%	0.733	S	S	*	*			trans	57.9	166.1	130.4	0	0	0	0	0	125.8
752	N	29.8	Very low	31.6	Very low	136 Å²	136	138.9 Å²	138.9	73%	0.727	73%	0.728	S	S	*	*			trans	88.7	97.1	153.6	-69.8	4.6	0	0	0	122.7
753	N	30	Very low	31.5	Very low	122 Å²	122	140.3 Å²	140.3	65%	0.652	73%	0.727	S	S	*	*				98.3	147	107.4	-73.9	10.3	0	0	0	123.6
754	H	33.2	Very low	31.5	Very low	151 Å²	151	140 Å²	140	70%	0.699	72%	0.724	S	S	*	*			trans	80.8	113.6	149.6	-74	-55.1	0	0	0	121.6
755	D	33.1	Very low	31.6	Very low	118 Å²	118	137 Å²	137	63%	0.631	72%	0.715	S	S	*	*				95.3	95.8	118.4	-71.9	16.4	0	0	0	122.5
756	N	30	Very low	31.6	Very low	126 Å²	126	134.2 Å²	134.2	67%	0.674	71%	0.711	S	S	*	*				113.9	146.6	96.6	-94.4	-35.5	0	0	0	122
757	T	33	Very low	31.5	Very low	103 Å²	103	135.6 Å²	135.6	63%	0.632	72%	0.723	S	S	*	*			trans	68.3	106.4	151.4	48.7	0	0	0	0	122.3
758	N	31.6	Very low	31.6	Very low	130 Å²	130	139.2 Å²	139.2	70%	0.695	73%	0.733	S	S	*	*				64.9	142.7	127.5	-42.6	-24.7	0	0	0	119.5
759	F	31.9	Very low	31.2	Very low	176 Å²	176	137.3 Å²	137.3	77%	0.772	73%	0.727	S	S	*	*			cis	-145.3	120.2	27.2	-106.1	-87.6	0	0	0	113.5
760	R	27	Very low	31.2	Very low	225 Å²	225	135.7 Å²	135.7	85%	0.849	73%	0.728	S	S	*	*				42.2	139.5	121.2	-160.7	178.1	178.5	159.5	0.4	122.1
761	A	30.6	Very low	30.8	Very low	83 Å²	83	137.5 Å²	137.5	69%	0.686	73%	0.732	S	S	*	*			trans	79.7	139.2	153.2	0	0	0	0	0	118.8
762	S	31	Very low	30.8	Very low	93 Å²	93	142.9 Å²	142.9	65%	0.65	74%	0.739	S	S	*	*			cis	-165.9	144.2	-5.4	-109.9	0	0	0	0	114.1
763	I	32.4	Very low	30.9	Very low	151 Å²	151	142.6 Å²	142.6	77%	0.774	74%	0.742	S	S	*	*			trans	66	145.2	136.3	-62.5	168.8	0	0	0	117.5
764	M	31	Very low	30.9	Very low	162 Å²	162	140.6 Å²	140.6	80%	0.798	75%	0.75	S	S	*	*			cis	-175.6	172.7	-25.7	-91.9	-136.3	171.5	0	0	105.8
765	S	31.2	Very low	30.7	Very low	88 Å²	88	141.9 Å²	141.9	62%	0.615	76%	0.757	S	S	*	*			cis	-177.7	163.2	-31.8	-82.1	0	0	0	0	106.7
766	E	32.3	Very low	30.7	Very low	168 Å²	168	144.4 Å²	144.4	79%	0.785	77%	0.765	S	S	*	*				174.6	139.7	117.1	-95.8	-179.9	-166.7	0	0	112.3
767	N	28.7	Very low	30.9	Very low	156 Å²	156	142.6 Å²	142.6	83%	0.834	76%	0.76	S	S	*	*			trans	-121.9	150.4	165.6	-76.3	-40	0	0	0	106.7
768	F	31.1	Very low	30.7	Very low	194 Å²	194	143.3 Å²	143.3	85%	0.851	76%	0.76	S	S	*	*			trans	-126.2	125.5	159.8	-102.3	-83.5	0	0	0	111.5
769	T	28.4	Very low	30.6	Very low	110 Å²	110	146.2 Å²	146.2	68%	0.675	76%	0.762	S	S	*	*			trans	-99.3	154.2	174.5	50.2	0	0	0	0	110.6
770	N	32.5	Very low	30.8	Very low	164 Å²	164	145.3 Å²	145.3	88%	0.877	76%	0.76	S	S	*	*			trans	-152.4	147	144	-100.8	-33.2	0	0	0	111.3
771	N	28.3	Very low	31	Very low	144 Å²	144	140.6 Å²	140.6	77%	0.77	75%	0.752	S	S	*	*			trans	-97.9	162.3	178.9	-55.9	-61.9	0	0	0	110.4
772	F	30.5	Very low	31.1	Very low	201 Å²	201	142.4 Å²	142.4	88%	0.882	76%	0.755	S	S	*	*			trans	-167.6	117.3	131.4	-114.4	-78	0	0	0	113.2
773	V	30	Very low	30.9	Very low	130 Å²	130	143.7 Å²	143.7	79%	0.788	76%	0.758	S	S	*	*			trans	25.9	137	144.9	-172.7	0	0	0	0	121.7
774	G	31.4	Very low	31	Very low	79 Å²	79	143.5 Å²	143.5	81%	0.814	75%	0.754	S	S	*	*			trans	173.3	98.3	161.9	0	0	0	0	0	115.6
775	E	29.5	Very low	30.9	Very low	179 Å²	179	144.9 Å²	144.9	84%	0.836	75%	0.751	S	S	*	*			trans	-75.2	136.8	-166.3	-69	177	121.7	0	0	118.5
776	Q	31.3	Very low	30.8	Very low	171 Å²	171	146.4 Å²	146.4	80%	0.799	75%	0.752	S	S	*	*				45.3	172	121.6	-74.3	-154.3	9.9	0	0	123.5
777	P	35.9	Very low	30.8	Very low	88 Å²	88	146.1 Å²	146.1	57%	0.571	75%	0.75	S	S	*	*				-146.3	-174.6	-51	43.8	-26.1	0	0	0	116.4
778	N	28.2	Very low	30.9	Very low	118 Å²	118	147.1 Å²	147.1	63%	0.631	75%	0.752	S	S	*	*			trans	77.5	130.5	137.3	-79.5	-21.4	0	0	0	125.8
779	Y	30.2	Very low	30.7	Very low	191 Å²	191	145.1 Å²	145.1	75%	0.749	74%	0.743	S	S	*	*				132	143.3	103.9	-105.4	-40.1	0	0	0	119.6
780	Q	35.5	Very low	30.7	Very low	156 Å²	156	147.2 Å²	147.2	73%	0.729	75%	0.745	S	S	*	*			trans	70.8	156.9	157.8	-66.8	177.6	26.9	0	0	117.3
781	N	31.4	Very low	30.7	Very low	127 Å²	127	144.7 Å²	144.7	68%	0.679	74%	0.741	S	S	*	*			cis	-166.7	164.1	-12.1	-108.9	-25.8	0	0	0	107.9
782	T	31.4	Very low	30.7	Very low	121 Å²	121	144.9 Å²	144.9	74%	0.742	74%	0.741	S	S	*	*			cis	-163.8	168.1	-26.1	-115.6	0	0	0	0	110.1
783	V	28.5	Very low	30.8	Very low	120 Å²	120	143.1 Å²	143.1	73%	0.727	74%	0.735	S	S	*	*			trans	-80.9	147.3	-174.2	175.6	0	0	0	0	114.6
784	Q	33.4	Very low	31	Very low	147 Å²	147	143.8 Å²	143.8	69%	0.687	73%	0.734	S	S	*	*				174.9	121.9	130	-96.5	177.2	87.3	0	0	119.7
785	R	29.2	Very low	30.9	Very low	191 Å²	191	148 Å²	148	72%	0.721	74%	0.737	S	S	*	*				83.8	106.2	109.5	-152.3	174.2	-141.9	150.6	0.6	124.3
786	N	30.2	Very low	31.1	Very low	119 Å²	119	144.5 Å²	144.5	64%	0.636	73%	0.73	S	S	*	*				83.3	134.5	127.7	-70.9	15.1	0	0	0	126.3
787	Q	30.8	Very low	30.9	Very low	162 Å²	162	141.6 Å²	141.6	76%	0.757	73%	0.729	S	S	*	*			trans	67.9	110.2	133.5	-69.1	173.7	13.8	0	0	122.7
788	M	30.8	Very low	30.6	Very low	178 Å²	178	143.7 Å²	143.7	88%	0.877	74%	0.744	S	S	*	*				173.6	159.2	102.2	-89.2	-174.3	177	0	0	108.5
789	K	28.1	Very low	30.7	Very low	152 Å²	152	149.4 Å²	149.4	66%	0.661	76%	0.757	S	S	*	*			cis	141	135.4	-18.3	-173.1	179.3	-178.7	-93.1	0	107.6
790	E	28	Very low	31	Very low	153 Å²	153	145.4 Å²	145.4	72%	0.715	75%	0.754	S	S	*	*			trans	62.4	146	-178.3	-86.1	101.7	-124	0	0	115.8
791	S	32.3	Very low	30.7	Very low	112 Å²	112	143 Å²	143	78%	0.783	75%	0.754	S	S	*	*			cis	-150.7	172	27	46.5	0	0	0	0	113.2
792	L	27.4	Very low	30.8	Very low	147 Å²	147	142.2 Å²	142.2	77%	0.77	76%	0.759	S	S	*	*			trans	-94.5	162.2	172.1	-60.6	83.2	0	0	0	110.6
793	H	34.2	Very low	31	Very low	164 Å²	164	141.1 Å²	141.1	76%	0.759	75%	0.754	S	S	*	*				177.4	146.7	111.5	-102.1	-78.5	0	0	0	116
794	N	33.1	Very low	31	Very low	145 Å²	145	143.6 Å²	143.6	78%	0.775	76%	0.757	S	S	*	*			trans	81.2	123.9	148.6	-60.7	-10.9	0	0	0	123.5
795	L	30.4	Very low	30.7	Very low	166 Å²	166	142.4 Å²	142.4	87%	0.869	77%	0.765	S	S	*	*			trans	-82.8	-173.5	161.7	-111	67.5	0	0	0	110.6
796	P	33.8	Very low	30.6	Very low	107 Å²	107	139.1 Å²	139.1	70%	0.695	77%	0.771	S	S	*	*			cis	-138	171.7	-15.3	32.4	-11.5	0	0	0	116.6
797	S	26.7	Very low	30.7	Very low	110 Å²	110	138.4 Å²	138.4	77%	0.769	78%	0.775	S	S	*	*			trans	45.5	115.8	139.1	-178.9	0	0	0	0	122.6
798	C	29.5	Very low	30.6	Very low	131 Å²	131	136.2 Å²	136.2	89%	0.885	78%	0.778	S	S	*	*				-157.8	163.5	127	-101.4	0	0	0	0	113.4
799	R	29.3	Very low	30.8	Very low	239 Å²	239	134.9 Å²	134.9	90%	0.902	77%	0.773	S	S	*	*			trans	-123.6	173.9	177.8	-102.7	-175.2	168.3	-175.1	-2.7	108.1
800	P	36.2	Very low	31	Very low	106 Å²	106	132.9 Å²	132.9	69%	0.688	78%	0.776	S	S	*	*			cis	-135.7	-179.5	-37.9	39	-22.8	0	0	0	112.9
801	S	30.3	Very low	31.1	Very low	105 Å²	105	128.8 Å²	128.8	73%	0.734	76%	0.762	S	S	*	*				141	134.5	124.6	67.4	0	0	0	0	118.2
802	S	33.3	Very low	31.2	Very low	112 Å²	112	130.3 Å²	130.3	78%	0.783	77%	0.766	S	S	*	*			trans	70.6	165.6	159.8	84.8	0	0	0	0	117.2
803	P	35.7	Very low	32	Very low	97 Å²	97	127.4 Å²	127.4	63%	0.63	75%	0.749	S	S	*	*				-130	-153.8	-94.6	37.2	-17.8	0	0	0	114.1
804	H	28.3	Very low	32.2	Very low	173 Å²	173	121.2 Å²	121.2	80%	0.801	73%	0.729	S	S	*	*			trans	84.5	99.2	177.6	-47	-75.9	0	0	0	117.3
805	S	27.4	Very low	32.6	Very low	122 Å²	122	121.1 Å²	121.1	85%	0.853	72%	0.723	S	S	*	*			trans	-176.3	153.7	131	33.9	0	0	0	0	112.2
806	S	27.1	Very low	33.6	Very low	121 Å²	121	116.9 Å²	116.9	85%	0.846	70%	0.701	S	S	*	*			trans	-46.6	139.9	177.8	48	0	0	0	0	116.2
807	S	31.2	Very low	35	Very low	104 Å²	104	112 Å²	112	73%	0.727	67%	0.669	S	S	*	*			trans	-135.7	118.4	161.2	-170.6	0	0	0	0	110.6
808	S	29.9	Very low	37.3	Very low	116 Å²	116	108.6 Å²	108.6	81%	0.811	64%	0.643	S	S	*	*			trans	-105.3	121.9	177.2	53	0	0	0	0	110.2
809	I	34.8	Very low	39.7	Very low	150 Å²	150	102.4 Å²	102.4	77%	0.769	60%	0.601	S	S	*	*			trans	-136.6	107.4	177.1	-54	-179.4	0	0	0	109.4
810	P	31.7	Very low	42.2	Very low	111 Å²	111	91 Å²	91	72%	0.721	56%	0.558	S	S	*	*			trans	-83.7	147.8	178	32.6	-33.9	0	0	0	112.6
811	P	29.7	Very low	44.3	Very low	66 Å²	66	88.5 Å²	88.5	43%	0.429	54%	0.541	S	S	.	.			trans	-82.6	119.4	-174.6	30.7	-34.1	0	0	0	114.8	H813	P811-H813 VanDerWaalsContact C-N 3.29Å; P811-H813 PolarHBondContact O-CD2 2.93Å; P811-H813 VanDerWaalsContact O-CD2 3.3Å; P811-H813 PolarHBondContact O-N 3.1Å
812	V	35	Very low	46.8	Very low	144 Å²	144	84.9 Å²	84.9	87%	0.873	51%	0.513	S	S	*	.	S	Bend	trans	37	16.4	138.1	-140.4	0	0	0	0	122.3
813	H	43.8	Very low	49.2	Very low	87 Å²	87	79.6 Å²	79.6	40%	0.403	48%	0.475	S	S	.	.			trans	-114.5	-22.6	-178.8	-64.2	-64.1	0	0	0	116.4	L578 P811 H815	L578-H813 VanDerWaalsContact CD2-CE1 3.42Å; L578-H813 WeakPolarHBondContact CD2-CE1 3.35Å; P811-H813 VanDerWaalsContact C-N 3.29Å; P811-H813 PolarHBondContact O-CD2 2.93Å; P811-H813 VanDerWaalsContact O-CD2 3.3Å; P811-H813 PolarHBondContact O-N 3.1Å; H813-H815 VanDerWaalsContact C-N 3.29Å; H813-H815 PolarHBondContact O-N 3.21Å
814	G	39.1	Very low	51.5	Low	33 Å²	33	78.3 Å²	78.3	34%	0.34	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	71.1	-175.3	0	0	0	0	0	115.7	K904	G814-K904 PolarHBondContact O-NZ 3.11Å
815	H	42	Very low	54	Low	143 Å²	143	76.7 Å²	76.7	66%	0.662	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.9	-5.9	175.4	-118.8	-58.1	0	0	0	116	H813 K904	H813-H815 VanDerWaalsContact C-N 3.29Å; H813-H815 PolarHBondContact O-N 3.21Å; H815-K904 PolarHBondContact CD2-NZ 3.47Å; H815-K904 PolarHBondContact NE2-NZ 2.81Å
816	L	50.6	Low	56.6	Low	77 Å²	77	71.9 Å²	71.9	40%	0.403	42%	0.423	S	S	.	.	S	Bend	trans	-116.8	-25.9	176.5	-66.7	165.9	0	0	0	112	P657 Y658 N818	P657-L816 HydrophobicContact CG-CB 4.34Å; P657-L816 HydrophobicContact CG-CD1 3.86Å; P657-L816 HydrophobicContact CG-CD2 4.44Å; P657-L816 HydrophobicContact CG-CG 4.43Å; Y658-L816 HydrophobicContact CE2-CD1 4.11Å; L816-N818 VanDerWaalsContact C-N 3.34Å; L816-N818 PolarHBondContact O-N 2.87Å
817	D	63.5	Low	59.3	Low	5 Å²	5	66.3 Å²	66.3	3%	0.027	38%	0.384	C	S	.	.			trans	-84.2	65.5	-174.9	-43.3	-77.6	0	0	0	113	R590 P819 H903	R590-D817 PolarHBondContact NH2-O 3.01Å; D817-P819 VanDerWaalsContact O-CD 3.23Å; D817-P819 WeakPolarHBondContact O-CD 3.49Å; D817-H903 PolarHBondContact O-CE1 3.35Å
818	N	74.4	Confident	61.7	Low	39 Å²	39	66.4 Å²	66.4	21%	0.209	38%	0.376	C	S	.	.			trans	-115.4	61	179.5	-73.1	5.4	0	0	0	113.5	L816 G820 T821 I822 D905	L816-N818 VanDerWaalsContact C-N 3.34Å; L816-N818 PolarHBondContact O-N 2.87Å; N818-G820 PolarHBondContact O-N 2.94Å; N818-T821 PolarHBondContact O-N 2.81Å; N818-I822 WeakPolarHBondContact O-CD1 3.21Å; N818-I822 VanDerWaalsContact O-CG1 3.29Å; N818-I822 WeakPolarHBondContact O-CG1 3.36Å; N818-I822 PolarHBondContact O-N 3.15Å; N818-I822 VanDerWaalsContact O-N 3.13Å; N818-D905 VanDerWaalsContact C-OD1 3.31Å; N818-D905 VanDerWaalsContact CA-CG 3.46Å; N818-D905 WeakPolarHBondContact CA-OD1 3.48Å; N818-D905 HydrophobicContact CB-CB 4.3Å; N818-D905 WeakPolarHBondContact CB-OD1 3.43Å
819	P	80.3	Confident	64.2	Low	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-61.6	-36.3	-176.7	26.1	-35.5	0	0	0	114	I594 L651 D817 I822 V823 I895 D905	I594-P819 HydrophobicContact CD1-CG 4.17Å; I594-P819 HydrophobicContact CG1-CG 4.23Å; L651-P819 HydrophobicContact CD2-CB 4.12Å; D817-P819 VanDerWaalsContact O-CD 3.23Å; D817-P819 WeakPolarHBondContact O-CD 3.49Å; P819-I822 PolarHBondContact O-N 2.96Å; P819-V823 VanDerWaalsContact O-CG2 3.3Å; P819-V823 WeakPolarHBondContact O-CG2 3.03Å; P819-V823 PolarHBondContact O-N 2.71Å; P819-I895 HydrophobicContact CB-CD1 4.43Å; P819-I895 HydrophobicContact CG-CD1 4.43Å; P819-I895 HydrophobicContact CG-CG2 3.99Å; P819-D905 WeakPolarHBondContact CD-OD2 3.21Å
820	G	81.4	Confident	66.6	Low	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-62.5	-48.8	176.3	0	0	0	0	0	111.9	N818 I822 V823 E824 D905 C912	N818-G820 PolarHBondContact O-N 2.94Å; G820-I822 VanDerWaalsContact C-N 3.28Å; G820-I822 PolarHBondContact O-N 3.43Å; G820-V823 PolarHBondContact O-N 3.21Å; G820-E824 WeakPolarHBondContact O-CB 3.34Å; G820-E824 PolarHBondContact O-N 3.06Å; G820-D905 WeakPolarHBondContact CA-OD2 3.32Å; G820-D905 PolarHBondContact N-OD1 2.97Å; G820-D905 PolarHBondContact N-OD2 3.34Å; G820-C912 PolarHBondContact O-SG 2.93Å
821	T	82.1	Confident	69.1	Low	54 Å²	54	53.7 Å²	53.7	33%	0.331	29%	0.294	S	S	.	.	H	α-helix	trans	-59.4	-37.6	176.4	-50	0	0	0	0	112.1	N818 D905	N818-T821 PolarHBondContact O-N 2.81Å; T821-D905 WeakPolarHBondContact CB-OD1 3.41Å; T821-D905 PolarHBondContact N-OD1 3.11Å; T821-D905 PolarHBondContact OG1-OD1 2.89Å
822	I	82.2	Confident	71.6	Confident	29 Å²	29	55 Å²	55	15%	0.149	30%	0.298	C	S	.	.	H	α-helix	trans	-69.2	-42.4	177.3	-68.2	161.7	0	0	0	111.4	N650 L651 N818 P819 G820	N650-I822 HydrophobicContact CB-CG2 3.75Å; L651-I822 HydrophobicContact CD2-CB 4.2Å; L651-I822 HydrophobicContact CD2-CG2 3.86Å; L651-I822 HydrophobicContact CG-CG2 4.06Å; N818-I822 WeakPolarHBondContact O-CD1 3.21Å; N818-I822 VanDerWaalsContact O-CG1 3.29Å; N818-I822 WeakPolarHBondContact O-CG1 3.36Å; N818-I822 PolarHBondContact O-N 3.15Å; N818-I822 VanDerWaalsContact O-N 3.13Å; P819-I822 PolarHBondContact O-N 2.96Å; G820-I822 VanDerWaalsContact C-N 3.28Å; G820-I822 PolarHBondContact O-N 3.43Å
823	V	83.6	Confident	74	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66.1	-45.4	177.5	170	0	0	0	0	110.7	L647 L651 P819 G820 L825 T826 L827 L892 C912	L647-V823 HydrophobicContact CD1-CG2 4Å; L651-V823 HydrophobicContact CD1-CG2 4.35Å; L651-V823 HydrophobicContact CD2-CG2 4.3Å; P819-V823 VanDerWaalsContact O-CG2 3.3Å; P819-V823 WeakPolarHBondContact O-CG2 3.03Å; P819-V823 PolarHBondContact O-N 2.71Å; G820-V823 PolarHBondContact O-N 3.21Å; V823-L825 PolarHBondContact O-N 2.86Å; V823-L825 VanDerWaalsContact O-N 3.15Å; V823-T826 CarbonylContact O-C 3.53Å; V823-T826 PolarHBondContact O-N 3.29Å; V823-T826 PolarHBondContact O-OG1 3.42Å; V823-T826 VanDerWaalsContact O-OG1 3.14Å; V823-L827 HydrophobicContact CG1-CB 4.1Å; V823-L827 HydrophobicContact CG1-CD1 4.17Å; V823-L827 HydrophobicContact CG1-CD2 4.36Å; V823-L827 HydrophobicContact CG1-CG 4.45Å; V823-L827 WeakPolarHBondContact O-CB 3.42Å; V823-L827 PolarHBondContact O-N 2.73Å; V823-L892 HydrophobicContact CG1-CD1 4.27Å; V823-L892 HydrophobicContact CG2-CD2 4.28Å; V823-C912 HydrophobicContact CG1-CB 4.39Å
824	E	83.2	Confident	75.8	Confident	71 Å²	71	45.9 Å²	45.9	33%	0.332	25%	0.246	S	C	.	.	H	α-helix	trans	-50.9	-43.4	-176.7	-167	-176.4	154.5	0	0	112.5	G820 T826 K911	G820-E824 WeakPolarHBondContact O-CB 3.34Å; G820-E824 PolarHBondContact O-N 3.06Å; E824-T826 PolarHBondContact O-N 3.36Å; E824-T826 VanDerWaalsContact O-N 3.13Å; E824-K911 WeakPolarHBondContact OE1-CE 3.4Å; E824-K911 IonicContact OE1-NZ 3.19Å; E824-K911 PolarHBondContact OE1-NZ 2.77Å
825	L	81.8	Confident	77.7	Confident	138 Å²	138	47 Å²	47	72%	0.723	24%	0.244	S	C	*	.	H	α-helix	trans	-63.2	-15.9	179.3	-68.8	169.8	0	0	0	114.7	V823	V823-L825 PolarHBondContact O-N 2.86Å; V823-L825 VanDerWaalsContact O-N 3.15Å
826	T	80.6	Confident	79.6	Confident	21 Å²	21	43.4 Å²	43.4	13%	0.129	23%	0.23	C	C	.	.	H	α-helix	trans	-124.4	-14.8	-177.5	54.2	0	0	0	0	114	V823 E824 N828 N829 L830	V823-T826 CarbonylContact O-C 3.53Å; V823-T826 PolarHBondContact O-N 3.29Å; V823-T826 PolarHBondContact O-OG1 3.42Å; V823-T826 VanDerWaalsContact O-OG1 3.14Å; E824-T826 PolarHBondContact O-N 3.36Å; E824-T826 VanDerWaalsContact O-N 3.13Å; T826-N828 PolarHBondContact O-N 3.49Å; T826-N829 PolarHBondContact O-N 3.44Å; T826-L830 PolarHBondContact O-N 3.11Å; T826-L830 VanDerWaalsContact O-N 3.1Å
827	L	84.4	Confident	81.1	Confident	4 Å²	4	39.7 Å²	39.7	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-59.9	-52.3	-169.6	-176.5	59.3	0	0	0	113	V823 N829 L830 L831 L888 C912 A915 L916	V823-L827 HydrophobicContact CG1-CB 4.1Å; V823-L827 HydrophobicContact CG1-CD1 4.17Å; V823-L827 HydrophobicContact CG1-CD2 4.36Å; V823-L827 HydrophobicContact CG1-CG 4.45Å; V823-L827 WeakPolarHBondContact O-CB 3.42Å; V823-L827 PolarHBondContact O-N 2.73Å; L827-N829 VanDerWaalsContact C-N 3.32Å; L827-N829 PolarHBondContact O-N 3.43Å; L827-L830 PolarHBondContact O-N 3.1Å; L827-L830 VanDerWaalsContact O-N 3.09Å; L827-L831 HydrophobicContact CD1-CD1 3.9Å; L827-L831 HydrophobicContact CD1-CD2 4.5Å; L827-L831 HydrophobicContact CD1-CG 3.94Å; L827-L831 HydrophobicContact CD2-CD1 4.44Å; L827-L831 HydrophobicContact CG-CD1 3.78Å; L827-L831 HydrophobicContact CG-CG 4.23Å; L827-L831 WeakPolarHBondContact O-CB 3.42Å; L827-L831 WeakPolarHBondContact O-CG 3.28Å; L827-L831 PolarHBondContact O-N 2.89Å; L827-L888 HydrophobicContact CD1-CD1 4.44Å; L827-C912 HydrophobicContact CD2-CB 3.96Å; L827-A915 HydrophobicContact CD2-CB 3.91Å; L827-L916 HydrophobicContact CD1-CD1 4.06Å; L827-L916 HydrophobicContact CD1-CD2 4.05Å; L827-L916 HydrophobicContact CD1-CG 3.92Å; L827-L916 HydrophobicContact CD2-CD1 4.4Å; L827-L916 HydrophobicContact CD2-CG 4.28Å
828	N	82	Confident	81.7	Confident	107 Å²	107	41.2 Å²	41.2	57%	0.572	22%	0.22	S	C	*	.	H	α-helix	trans	-60.5	-41.6	-177.7	-66.3	1.5	0	0	0	112.1	T826 L830 L831 N832	T826-N828 PolarHBondContact O-N 3.49Å; N828-L830 VanDerWaalsContact C-N 3.29Å; N828-L830 PolarHBondContact O-N 3.45Å; N828-L831 PolarHBondContact O-N 3.46Å; N828-N832 VanDerWaalsContact O-CG 3.27Å; N828-N832 PolarHBondContact O-N 3.49Å; N828-N832 PolarHBondContact O-OD1 3.48Å
829	N	83.2	Confident	81.8	Confident	93 Å²	93	44.1 Å²	44.1	50%	0.497	24%	0.235	S	C	.	.	H	α-helix	trans	-67.9	-28.7	178.1	-70.1	-30.2	0	0	0	112.8	T826 L827 Q833	T826-N829 PolarHBondContact O-N 3.44Å; L827-N829 VanDerWaalsContact C-N 3.32Å; L827-N829 PolarHBondContact O-N 3.43Å; N829-Q833 WeakPolarHBondContact O-CG 3.38Å
830	L	84.8	Confident	81.6	Confident	3 Å²	3	46.8 Å²	46.8	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-79.8	-41.2	174.7	-179.9	60.8	0	0	0	111.3	Q643 L647 T826 L827 N828 C834 I884 L888	Q643-L830 HydrophobicContact CB-CB 4.46Å; Q643-L830 HydrophobicContact CB-CD1 3.83Å; L647-L830 HydrophobicContact CD2-CD2 3.63Å; T826-L830 PolarHBondContact O-N 3.11Å; T826-L830 VanDerWaalsContact O-N 3.1Å; L827-L830 PolarHBondContact O-N 3.1Å; L827-L830 VanDerWaalsContact O-N 3.09Å; N828-L830 VanDerWaalsContact C-N 3.29Å; N828-L830 PolarHBondContact O-N 3.45Å; L830-C834 PolarHBondContact O-N 3.03Å; L830-C834 PolarHBondContact O-SG 2.83Å; L830-I884 HydrophobicContact CD1-CG2 4.38Å; L830-I884 HydrophobicContact CD2-CG2 3.88Å; L830-I884 HydrophobicContact CG-CG2 4.32Å; L830-L888 HydrophobicContact CD2-CD1 3.75Å
831	L	84	Confident	81.2	Confident	13 Å²	13	50 Å²	50	7%	0.068	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-48.9	179.6	-75.6	175.9	0	0	0	112	L827 N828 Q833 C834 I835 P885 L916 A919	L827-L831 HydrophobicContact CD1-CD1 3.9Å; L827-L831 HydrophobicContact CD1-CD2 4.5Å; L827-L831 HydrophobicContact CD1-CG 3.94Å; L827-L831 HydrophobicContact CD2-CD1 4.44Å; L827-L831 HydrophobicContact CG-CD1 3.78Å; L827-L831 HydrophobicContact CG-CG 4.23Å; L827-L831 WeakPolarHBondContact O-CB 3.42Å; L827-L831 WeakPolarHBondContact O-CG 3.28Å; L827-L831 PolarHBondContact O-N 2.89Å; N828-L831 PolarHBondContact O-N 3.46Å; L831-Q833 VanDerWaalsContact C-N 3.35Å; L831-Q833 PolarHBondContact O-N 3.48Å; L831-C834 PolarHBondContact O-N 3.31Å; L831-C834 VanDerWaalsContact O-N 3.08Å; L831-I835 VanDerWaalsContact O-CG1 3.31Å; L831-I835 WeakPolarHBondContact O-CG1 3.27Å; L831-I835 PolarHBondContact O-N 2.74Å; L831-P885 HydrophobicContact CD2-CB 4.23Å; L831-P885 HydrophobicContact CD2-CG 4.28Å; L831-L916 HydrophobicContact CD2-CD2 3.96Å; L831-A919 HydrophobicContact CD1-CB 3.97Å; L831-A919 HydrophobicContact CD2-CB 4.07Å
832	N	82.5	Confident	80.7	Confident	94 Å²	94	51.3 Å²	51.3	50%	0.503	27%	0.273	S	S	.	.	H	α-helix	trans	-54	-52.2	178	-67.2	3.4	0	0	0	110.9	N828 C834 I835 D836	N828-N832 VanDerWaalsContact O-CG 3.27Å; N828-N832 PolarHBondContact O-N 3.49Å; N828-N832 PolarHBondContact O-OD1 3.48Å; N832-C834 VanDerWaalsContact C-N 3.26Å; N832-C834 PolarHBondContact O-N 3.18Å; N832-I835 PolarHBondContact O-N 2.93Å; N832-D836 VanDerWaalsContact O-CG 3.24Å; N832-D836 PolarHBondContact O-N 2.91Å
833	Q	84.1	Confident	80.2	Confident	34 Å²	34	54.4 Å²	54.4	16%	0.159	29%	0.29	C	S	.	.	H	α-helix	trans	-63.6	-29.6	-179.6	-56.8	-75.3	41.7	0	0	112.9	N636 E639 V640 N829 L831 Y837	N636-Q833 PolarHBondContact ND2-O 2.88Å; N636-Q833 PolarHBondContact ND2-OE1 3.29Å; N636-Q833 PolarHBondContact OD1-OE1 3.44Å; E639-Q833 PolarHBondContact OE2-NE2 3.31Å; V640-Q833 HydrophobicContact CG2-CB 3.89Å; V640-Q833 WeakPolarHBondContact CG2-O 3.19Å; N829-Q833 WeakPolarHBondContact O-CG 3.38Å; L831-Q833 VanDerWaalsContact C-N 3.35Å; L831-Q833 PolarHBondContact O-N 3.48Å; Q833-Y837 WeakPolarHBondContact O-CB 3.25Å; Q833-Y837 PolarHBondContact O-N 2.6Å
834	C	81.5	Confident	79.7	Confident	5 Å²	5	55.1 Å²	55.1	3%	0.034	29%	0.293	C	S	.	.	H	α-helix	trans	-75	-37.8	173	-66	0	0	0	0	112.4	L830 L831 N832 Y837 T838 P885	L830-C834 PolarHBondContact O-N 3.03Å; L830-C834 PolarHBondContact O-SG 2.83Å; L831-C834 PolarHBondContact O-N 3.31Å; L831-C834 VanDerWaalsContact O-N 3.08Å; N832-C834 VanDerWaalsContact C-N 3.26Å; N832-C834 PolarHBondContact O-N 3.18Å; C834-Y837 WeakPolarHBondContact O-CB 3.44Å; C834-Y837 PolarHBondContact O-N 3.47Å; C834-T838 PolarHBondContact O-N 3.07Å; C834-T838 PolarHBondContact O-OG1 2.71Å; C834-P885 HydrophobicContact CB-CG 4.29Å
835	I	80.6	Confident	79.1	Confident	56 Å²	56	54.7 Å²	54.7	29%	0.287	29%	0.293	S	S	.	.	H	α-helix	trans	-65.6	-48.9	176.7	-70	162.9	0	0	0	110	L831 N832 Y837 T838 N839	L831-I835 VanDerWaalsContact O-CG1 3.31Å; L831-I835 WeakPolarHBondContact O-CG1 3.27Å; L831-I835 PolarHBondContact O-N 2.74Å; N832-I835 PolarHBondContact O-N 2.93Å; I835-Y837 PolarHBondContact O-N 2.68Å; I835-T838 WeakPolarHBondContact CA-OG1 3.3Å; I835-T838 PolarHBondContact O-N 3.28Å; I835-T838 PolarHBondContact O-OG1 3.01Å; I835-N839 PolarHBondContact O-N 3.34Å; I835-N839 PolarHBondContact O-ND2 3.45Å; I835-N839 PolarHBondContact O-OD1 2.87Å
836	D	81	Confident	78.7	Confident	68 Å²	68	55.3 Å²	55.3	36%	0.364	29%	0.289	S	S	.	.	H	α-helix	trans	-58.2	-35.1	175.1	-64.6	-31.5	0	0	0	111.6	N832	N832-D836 VanDerWaalsContact O-CG 3.24Å; N832-D836 PolarHBondContact O-N 2.91Å
837	Y	82	Confident	78.2	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-67.5	-49.6	170.4	-171.2	-80.6	0	0	0	111.9	Y635 I637 Q833 C834 I835 N839 V840 Y841 R844 L878 P881	Y635-Y837 WeakPolarHBondContact O-CD2 3.47Å; Y635-Y837 WeakPolarHBondContact O-CE2 3.49Å; I637-Y837 HydrophobicContact CB-CE2 3.97Å; I637-Y837 HydrophobicContact CD1-CE2 3.93Å; I637-Y837 HydrophobicContact CG1-CE2 3.95Å; Q833-Y837 WeakPolarHBondContact O-CB 3.25Å; Q833-Y837 PolarHBondContact O-N 2.6Å; C834-Y837 WeakPolarHBondContact O-CB 3.44Å; C834-Y837 PolarHBondContact O-N 3.47Å; I835-Y837 PolarHBondContact O-N 2.68Å; Y837-N839 VanDerWaalsContact C-N 3.34Å; Y837-N839 PolarHBondContact O-N 3.16Å; Y837-V840 PolarHBondContact O-N 3.46Å; Y837-Y841 HydrophobicContact CE1-CD2 4.24Å; Y837-R844 VanDerWaalsContact CD1-NH2 3.27Å; Y837-R844 VanDerWaalsContact CD2-NH1 3.29Å; Y837-R844 VanDerWaalsContact CZ-NH1 3.33Å; Y837-R844 PolarHBondContact O-NH2 3.34Å; Y837-L878 WeakPolarHBondContact CE1-O 3.23Å; Y837-L878 WeakPolarHBondContact OH-CD2 3.49Å; Y837-L878 PolarHBondContact OH-O 3.41Å; Y837-P881 HydrophobicContact CD1-CB 3.57Å; Y837-P881 HydrophobicContact CD1-CG 3.97Å; Y837-P881 HydrophobicContact CD2-CB 4.24Å; Y837-P881 HydrophobicContact CD2-CG 4.11Å; Y837-P881 HydrophobicContact CE1-CB 3.77Å; Y837-P881 HydrophobicContact CE1-CG 3.69Å; Y837-P881 HydrophobicContact CE2-CB 4.41Å; Y837-P881 HydrophobicContact CE2-CG 3.84Å; Y837-P881 HydrophobicContact CG-CB 3.84Å; Y837-P881 HydrophobicContact CG-CG 4.18Å
838	T	75.4	Confident	77.6	Confident	37 Å²	37	57.9 Å²	57.9	23%	0.227	30%	0.297	C	S	.	.	H	α-helix	trans	-64.3	-36.7	-175.8	44.4	0	0	0	0	113.3	C834 I835 V840 Y841	C834-T838 PolarHBondContact O-N 3.07Å; C834-T838 PolarHBondContact O-OG1 2.71Å; I835-T838 WeakPolarHBondContact CA-OG1 3.3Å; I835-T838 PolarHBondContact O-N 3.28Å; I835-T838 PolarHBondContact O-OG1 3.01Å; T838-V840 VanDerWaalsContact C-N 3.28Å; T838-V840 PolarHBondContact O-N 3.32Å; T838-Y841 WeakPolarHBondContact O-CB 3.48Å; T838-Y841 PolarHBondContact O-N 3.26Å
839	N	76.7	Confident	76.9	Confident	100 Å²	100	56.4 Å²	56.4	54%	0.535	28%	0.284	S	S	.	.	H	α-helix	trans	-61	-36.6	-177.2	-66.5	-12.5	0	0	0	112.3	I835 Y837	I835-N839 PolarHBondContact O-N 3.34Å; I835-N839 PolarHBondContact O-ND2 3.45Å; I835-N839 PolarHBondContact O-OD1 2.87Å; Y837-N839 VanDerWaalsContact C-N 3.34Å; Y837-N839 PolarHBondContact O-N 3.16Å
840	V	76.2	Confident	76.3	Confident	55 Å²	55	56 Å²	56	33%	0.333	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	11.2	179.8	-156.3	0	0	0	0	112.1	Y837 T838 R844	Y837-V840 PolarHBondContact O-N 3.46Å; T838-V840 VanDerWaalsContact C-N 3.28Å; T838-V840 PolarHBondContact O-N 3.32Å; V840-R844 HydrophobicContact CG1-CG 4.23Å; V840-R844 WeakPolarHBondContact O-CB 3.46Å; V840-R844 VanDerWaalsContact O-CG 3.27Å; V840-R844 WeakPolarHBondContact O-CG 3.21Å; V840-R844 PolarHBondContact O-N 3.24Å; V840-R844 PolarHBondContact O-NE 3.45Å
841	Y	74.1	Confident	75.6	Confident	69 Å²	69	56.1 Å²	56.1	27%	0.271	28%	0.28	S	S	.	.	H	α-helix	trans	-61.9	-50.8	179.6	-171.4	-97	0	0	0	115	Y837 T838 D843 R844 L845 L878	Y837-Y841 HydrophobicContact CE1-CD2 4.24Å; T838-Y841 WeakPolarHBondContact O-CB 3.48Å; T838-Y841 PolarHBondContact O-N 3.26Å; Y841-D843 PolarHBondContact O-N 3Å; Y841-R844 PolarHBondContact O-N 3.24Å; Y841-L845 PolarHBondContact O-N 3.31Å; Y841-L845 VanDerWaalsContact O-N 3.09Å; Y841-L878 HydrophobicContact CE2-CB 4.17Å; Y841-L878 WeakPolarHBondContact CE2-O 3.43Å
842	P	70.9	Confident	74.8	Confident	80 Å²	80	59.9 Å²	59.9	52%	0.519	29%	0.293	S	S	.	.	H	α-helix	trans	-64.9	-40.8	-175.8	25	-33.7	0	0	0	112.8	R844 L845 K846	P842-R844 VanDerWaalsContact C-N 3.35Å; P842-R844 PolarHBondContact O-N 3.35Å; P842-L845 WeakPolarHBondContact O-CB 3.5Å; P842-L845 PolarHBondContact O-N 3.46Å; P842-L845 VanDerWaalsContact O-N 3.16Å; P842-K846 PolarHBondContact O-N 3.31Å
843	D	71.7	Confident	74.1	Confident	95 Å²	95	62.5 Å²	62.5	51%	0.508	30%	0.3	S	S	.	.	H	α-helix	trans	-65.9	-36.2	178.5	-66.7	-58.2	0	0	0	112.7	Y841 L845 K846 Y847	Y841-D843 PolarHBondContact O-N 3Å; D843-L845 VanDerWaalsContact C-N 3.34Å; D843-K846 PolarHBondContact O-N 3.39Å; D843-Y847 VanDerWaalsContact O-CB 3.3Å; D843-Y847 WeakPolarHBondContact O-CB 3.45Å; D843-Y847 PolarHBondContact O-N 2.98Å
844	R	72.4	Confident	73.3	Confident	14 Å²	14	66.5 Å²	66.5	5%	0.053	32%	0.319	C	S	.	.	H	α-helix	trans	-68.3	-33.5	173.5	-71.5	176.6	-58.3	163.8	9.5	112.2	S632 Y635 Y837 V840 Y841 P842 F848	S632-R844 WeakPolarHBondContact O-CD 3.43Å; S632-R844 VanDerWaalsContact O-CG 3.28Å; S632-R844 WeakPolarHBondContact O-CG 3.42Å; Y635-R844 PolarHBondContact O-NH1 3.09Å; Y837-R844 VanDerWaalsContact CD1-NH2 3.27Å; Y837-R844 VanDerWaalsContact CD2-NH1 3.29Å; Y837-R844 VanDerWaalsContact CZ-NH1 3.33Å; Y837-R844 PolarHBondContact O-NH2 3.34Å; V840-R844 HydrophobicContact CG1-CG 4.23Å; V840-R844 WeakPolarHBondContact O-CB 3.46Å; V840-R844 VanDerWaalsContact O-CG 3.27Å; V840-R844 WeakPolarHBondContact O-CG 3.21Å; V840-R844 PolarHBondContact O-N 3.24Å; V840-R844 PolarHBondContact O-NE 3.45Å; Y841-R844 PolarHBondContact O-N 3.24Å; P842-R844 VanDerWaalsContact C-N 3.35Å; P842-R844 PolarHBondContact O-N 3.35Å; R844-F848 WeakPolarHBondContact O-CB 3.02Å; R844-F848 PolarHBondContact O-N 2.97Å
845	L	71.2	Confident	72.6	Confident	63 Å²	63	70.5 Å²	70.5	33%	0.33	33%	0.334	S	S	.	.	H	α-helix	trans	-64.5	-44.7	173	-150.4	78.9	0	0	0	110.9	Y841 P842 D843 F848 Y849	Y841-L845 PolarHBondContact O-N 3.31Å; Y841-L845 VanDerWaalsContact O-N 3.09Å; P842-L845 WeakPolarHBondContact O-CB 3.5Å; P842-L845 PolarHBondContact O-N 3.46Å; P842-L845 VanDerWaalsContact O-N 3.16Å; D843-L845 VanDerWaalsContact C-N 3.34Å; L845-F848 PolarHBondContact O-N 3.45Å; L845-Y849 HydrophobicContact CG-CE2 4.42Å; L845-Y849 VanDerWaalsContact O-CD2 3.29Å; L845-Y849 WeakPolarHBondContact O-CD2 3.46Å; L845-Y849 PolarHBondContact O-N 2.83Å
846	K	72.8	Confident	71.8	Confident	150 Å²	150	72.3 Å²	72.3	65%	0.652	35%	0.349	S	S	*	.	H	α-helix	trans	-61.8	-48.5	175.2	-177.4	-178.2	179.2	-176.9	0	112.3	P842 D843 F848 Y849 E850	P842-K846 PolarHBondContact O-N 3.31Å; D843-K846 PolarHBondContact O-N 3.39Å; K846-F848 VanDerWaalsContact C-N 3.35Å; K846-F848 PolarHBondContact O-N 3.46Å; K846-Y849 WeakPolarHBondContact O-CB 3.28Å; K846-Y849 PolarHBondContact O-N 3.33Å; K846-E850 PolarHBondContact O-N 2.9Å; K846-E850 VanDerWaalsContact O-N 3.15Å
847	Y	71.4	Confident	71.1	Confident	70 Å²	70	75.8 Å²	75.8	28%	0.275	36%	0.363	S	S	.	.	H	α-helix	trans	-61.5	-40.9	176.3	177.2	-107.5	0	0	0	112.1	D629 L633 D843 Y849 E850 L851	D629-Y847 WeakPolarHBondContact CA-OH 3.48Å; D629-Y847 WeakPolarHBondContact CB-OH 3.17Å; D629-Y847 PolarHBondContact OD1-OH 3.47Å; L633-Y847 HydrophobicContact CB-CE1 4.31Å; L633-Y847 HydrophobicContact CD1-CD1 4.25Å; D843-Y847 VanDerWaalsContact O-CB 3.3Å; D843-Y847 WeakPolarHBondContact O-CB 3.45Å; D843-Y847 PolarHBondContact O-N 2.98Å; Y847-Y849 VanDerWaalsContact C-N 3.33Å; Y847-Y849 PolarHBondContact O-N 2.97Å; Y847-E850 PolarHBondContact O-N 3.16Å; Y847-L851 HydrophobicContact CD1-CD1 3.96Å; Y847-L851 HydrophobicContact CD1-CG 4.45Å; Y847-L851 HydrophobicContact CE1-CD1 3.45Å; Y847-L851 VanDerWaalsContact CE1-CD1 3.45Å; Y847-L851 HydrophobicContact CE1-CG 4.08Å; Y847-L851 PolarHBondContact O-N 2.87Å
848	F	70.7	Confident	70.4	Confident	10 Å²	10	76 Å²	76	4%	0.044	36%	0.364	C	S	.	.	H	α-helix	trans	-64.2	-35	174.1	178	-115.9	0	0	0	113.2	L633 R844 L845 K846 L851 R852 L858 L862 L874	L633-F848 HydrophobicContact CD1-CB 3.77Å; L633-F848 HydrophobicContact CD1-CD2 3.99Å; L633-F848 HydrophobicContact CD1-CG 4.25Å; R844-F848 WeakPolarHBondContact O-CB 3.02Å; R844-F848 PolarHBondContact O-N 2.97Å; L845-F848 PolarHBondContact O-N 3.45Å; K846-F848 VanDerWaalsContact C-N 3.35Å; K846-F848 PolarHBondContact O-N 3.46Å; F848-L851 PolarHBondContact O-N 3.41Å; F848-R852 VanDerWaalsContact CE1-NH2 3.31Å; F848-R852 WeakPolarHBondContact O-CB 3.39Å; F848-R852 PolarHBondContact O-N 3.11Å; F848-L858 HydrophobicContact CE2-CD2 3.92Å; F848-L862 HydrophobicContact CE2-CD1 3.92Å; F848-L862 HydrophobicContact CZ-CD1 3.64Å; F848-L874 HydrophobicContact CD1-CD2 4.42Å; F848-L874 HydrophobicContact CD2-CD2 4.22Å; F848-L874 HydrophobicContact CE1-CD2 3.65Å; F848-L874 HydrophobicContact CE2-CD2 3.43Å; F848-L874 VanDerWaalsContact CE2-CD2 3.43Å; F848-L874 HydrophobicContact CZ-CD2 3.11Å
849	Y	68.2	Low	69.9	Low	75 Å²	75	81.9 Å²	81.9	29%	0.294	38%	0.382	S	S	.	.	H	α-helix	trans	-65	-41.4	173.5	-93.8	-66.4	0	0	0	112.4	L845 K846 Y847 R852 K853 Y1011	L845-Y849 HydrophobicContact CG-CE2 4.42Å; L845-Y849 VanDerWaalsContact O-CD2 3.29Å; L845-Y849 WeakPolarHBondContact O-CD2 3.46Å; L845-Y849 PolarHBondContact O-N 2.83Å; K846-Y849 WeakPolarHBondContact O-CB 3.28Å; K846-Y849 PolarHBondContact O-N 3.33Å; Y847-Y849 VanDerWaalsContact C-N 3.33Å; Y847-Y849 PolarHBondContact O-N 2.97Å; Y849-R852 VanDerWaalsContact CE1-NH1 3.28Å; Y849-R852 PolarHBondContact O-N 3.48Å; Y849-K853 PolarHBondContact O-N 3.45Å; Y849-Y1011 PolarHBondContact OH-O 3Å
850	E	71	Confident	69.3	Low	85 Å²	85	82.2 Å²	82.2	40%	0.397	38%	0.383	S	S	.	.	H	α-helix	trans	-68.9	-39.8	173.4	-70.3	-63.1	140.8	0	0	112.2	K846 Y847 R852 K853 Q854	K846-E850 PolarHBondContact O-N 2.9Å; K846-E850 VanDerWaalsContact O-N 3.15Å; Y847-E850 PolarHBondContact O-N 3.16Å; E850-R852 VanDerWaalsContact C-N 3.33Å; E850-R852 PolarHBondContact O-N 3.14Å; E850-K853 VanDerWaalsContact CD-NZ 3.29Å; E850-K853 WeakPolarHBondContact O-CB 3.31Å; E850-K853 PolarHBondContact O-N 2.94Å; E850-K853 VanDerWaalsContact O-N 3.1Å; E850-K853 IonicContact OE1-NZ 3.7Å; E850-K853 PolarHBondContact OE1-NZ 2.7Å; E850-K853 WeakPolarHBondContact OE2-CD 3.3Å; E850-K853 IonicContact OE2-NZ 2.72Å; E850-K853 PolarHBondContact OE2-NZ 3.25Å; E850-Q854 WeakPolarHBondContact O-CG 3.05Å; E850-Q854 PolarHBondContact O-N 3.44Å
851	L	68.9	Low	69.1	Low	6 Å²	6	80 Å²	80	3%	0.031	37%	0.369	C	S	.	.	H	α-helix	trans	-59.1	-41.1	172.2	-78.3	-179.7	0	0	0	112.6	L625 L633 Y847 F848 K853 Q854 Y855	L625-L851 HydrophobicContact CD2-CD2 3.8Å; L633-L851 HydrophobicContact CD2-CD1 4.38Å; Y847-L851 HydrophobicContact CD1-CD1 3.96Å; Y847-L851 HydrophobicContact CD1-CG 4.45Å; Y847-L851 HydrophobicContact CE1-CD1 3.45Å; Y847-L851 VanDerWaalsContact CE1-CD1 3.45Å; Y847-L851 HydrophobicContact CE1-CG 4.08Å; Y847-L851 PolarHBondContact O-N 2.87Å; F848-L851 PolarHBondContact O-N 3.41Å; L851-K853 PolarHBondContact O-N 3.19Å; L851-Q854 PolarHBondContact O-N 3.49Å; L851-Y855 HydrophobicContact CD2-CD2 4.01Å; L851-Y855 HydrophobicContact CD2-CE2 3.88Å; L851-Y855 PolarHBondContact O-N 2.92Å
852	R	67.2	Low	68.9	Low	92 Å²	92	77.8 Å²	77.8	35%	0.347	36%	0.362	S	S	.	.	H	α-helix	trans	-63.6	-30.5	176.3	-178.6	-171.3	-74.6	175.3	-7.6	112.6	F848 Y849 E850 L858	F848-R852 VanDerWaalsContact CE1-NH2 3.31Å; F848-R852 WeakPolarHBondContact O-CB 3.39Å; F848-R852 PolarHBondContact O-N 3.11Å; Y849-R852 VanDerWaalsContact CE1-NH1 3.28Å; Y849-R852 PolarHBondContact O-N 3.48Å; E850-R852 VanDerWaalsContact C-N 3.33Å; E850-R852 PolarHBondContact O-N 3.14Å; R852-L858 HydrophobicContact CB-CD2 4.21Å
853	K	68.6	Low	68.6	Low	149 Å²	149	80.8 Å²	80.8	65%	0.648	37%	0.367	S	S	*	.	H	α-helix	trans	-80.6	-35.5	178.3	176.8	-171.7	170.2	-160	0	112	Y849 E850 L851	Y849-K853 PolarHBondContact O-N 3.45Å; E850-K853 VanDerWaalsContact CD-NZ 3.29Å; E850-K853 WeakPolarHBondContact O-CB 3.31Å; E850-K853 PolarHBondContact O-N 2.94Å; E850-K853 VanDerWaalsContact O-N 3.1Å; E850-K853 IonicContact OE1-NZ 3.7Å; E850-K853 PolarHBondContact OE1-NZ 2.7Å; E850-K853 WeakPolarHBondContact OE2-CD 3.3Å; E850-K853 IonicContact OE2-NZ 2.72Å; E850-K853 PolarHBondContact OE2-NZ 3.25Å; L851-K853 PolarHBondContact O-N 3.19Å
854	Q	66.7	Low	68.5	Low	118 Å²	118	80.7 Å²	80.7	55%	0.551	37%	0.366	S	S	*	.	H	α-helix	trans	-76.6	-38.4	177.2	-69.6	173	5.5	0	0	113.1	E850 L851 P856	E850-Q854 WeakPolarHBondContact O-CG 3.05Å; E850-Q854 PolarHBondContact O-N 3.44Å; L851-Q854 PolarHBondContact O-N 3.49Å; Q854-P856 VanDerWaalsContact O-CD 3.3Å; Q854-P856 WeakPolarHBondContact O-CD 3.23Å
855	Y	66	Low	68.3	Low	89 Å²	89	81.2 Å²	81.2	35%	0.349	37%	0.369	S	S	.	.			trans	-115	89.8	-172.6	-64.9	-83.5	0	0	0	112.1	L625 L851 H857 L858	L625-Y855 HydrophobicContact CD2-CE2 4.38Å; L851-Y855 HydrophobicContact CD2-CD2 4.01Å; L851-Y855 HydrophobicContact CD2-CE2 3.88Å; L851-Y855 PolarHBondContact O-N 2.92Å; Y855-H857 PolarHBondContact O-N 3Å; Y855-L858 WeakPolarHBondContact O-CB 3.43Å; Y855-L858 PolarHBondContact O-N 2.85Å
856	P	65.8	Low	67.9	Low	93 Å²	93	80.2 Å²	80.2	60%	0.604	37%	0.37	S	S	*	.	H	α-helix	trans	-61.3	-30	178.3	22.9	-32.9	0	0	0	113.2	Q854 L858 R859	Q854-P856 VanDerWaalsContact O-CD 3.3Å; Q854-P856 WeakPolarHBondContact O-CD 3.23Å; P856-L858 PolarHBondContact O-N 2.92Å; P856-R859 WeakPolarHBondContact O-CB 3.2Å; P856-R859 PolarHBondContact O-N 3.07Å
857	H	64.7	Low	67.4	Low	141 Å²	141	80.6 Å²	80.6	65%	0.653	38%	0.376	S	S	*	.	H	α-helix	trans	-59.9	-29	172.9	-61.6	-79.2	0	0	0	113.1	Y855 R859 L860 F861	Y855-H857 PolarHBondContact O-N 3Å; H857-R859 PolarHBondContact O-N 3.02Å; H857-L860 PolarHBondContact O-N 2.91Å; H857-L860 VanDerWaalsContact O-N 3.17Å; H857-F861 PolarHBondContact O-N 3.48Å
858	L	67.5	Low	67.2	Low	5 Å²	5	81.9 Å²	81.9	3%	0.026	39%	0.385	C	S	.	.	H	α-helix	trans	-57.9	-37.1	173.8	-159.4	98.2	0	0	0	111.2	L619 F848 R852 Y855 P856 L860 F861 L862	L619-L858 HydrophobicContact CD2-CD1 3.36Å; L619-L858 HydrophobicContact CD2-CG 4.28Å; F848-L858 HydrophobicContact CE2-CD2 3.92Å; R852-L858 HydrophobicContact CB-CD2 4.21Å; Y855-L858 WeakPolarHBondContact O-CB 3.43Å; Y855-L858 PolarHBondContact O-N 2.85Å; P856-L858 PolarHBondContact O-N 2.92Å; L858-L860 VanDerWaalsContact C-N 3.34Å; L858-L860 PolarHBondContact O-N 2.7Å; L858-F861 PolarHBondContact O-N 3.48Å; L858-L862 HydrophobicContact CD2-CD1 3.8Å; L858-L862 HydrophobicContact CG-CD1 3.96Å; L858-L862 HydrophobicContact CG-CG 4.39Å; L858-L862 VanDerWaalsContact O-CB 3.32Å; L858-L862 WeakPolarHBondContact O-CB 3.4Å; L858-L862 WeakPolarHBondContact O-CD1 3.42Å; L858-L862 WeakPolarHBondContact O-CG 3.35Å; L858-L862 PolarHBondContact O-N 3.39Å
859	R	64.9	Low	66.8	Low	161 Å²	161	87.7 Å²	87.7	61%	0.608	42%	0.424	S	S	*	.	H	α-helix	trans	-65.6	-36.6	179.3	-166.6	177.4	-174.5	171.2	2.4	111.8	P856 H857 K863 P1015	P856-R859 WeakPolarHBondContact O-CB 3.2Å; P856-R859 PolarHBondContact O-N 3.07Å; H857-R859 PolarHBondContact O-N 3.02Å; R859-K863 WeakPolarHBondContact O-CB 3.46Å; R859-K863 PolarHBondContact O-N 3.42Å; R859-K863 VanDerWaalsContact O-N 3.16Å; R859-P1015 PolarHBondContact NH2-O 3.09Å
860	L	64.6	Low	66.8	Low	106 Å²	106	86.4 Å²	86.4	56%	0.555	43%	0.433	S	S	*	.	H	α-helix	trans	-72.5	-46.1	175.8	-171	68.1	0	0	0	111.1	H857 L858 L862 K863 N864	H857-L860 PolarHBondContact O-N 2.91Å; H857-L860 VanDerWaalsContact O-N 3.17Å; L858-L860 VanDerWaalsContact C-N 3.34Å; L858-L860 PolarHBondContact O-N 2.7Å; L860-L862 PolarHBondContact O-N 2.9Å; L860-K863 PolarHBondContact O-N 3.5Å; L860-N864 PolarHBondContact O-N 3.08Å; L860-N864 PolarHBondContact O-OD1 2.93Å
861	F	71.7	Confident	66.9	Low	9 Å²	9	83.4 Å²	83.4	4%	0.039	42%	0.421	C	S	.	.	H	α-helix	trans	-57.1	-49.9	175.4	165.9	-106.6	0	0	0	112.4	Y615 L619 I622 H857 L858 K863 N864 Q865	Y615-F861 HydrophobicContact CD1-CE1 4.01Å; Y615-F861 HydrophobicContact CD1-CZ 4.23Å; L619-F861 HydrophobicContact CD2-CD1 3.49Å; L619-F861 VanDerWaalsContact CD2-CD1 3.49Å; L619-F861 HydrophobicContact CD2-CE1 3.39Å; L619-F861 HydrophobicContact CD2-CZ 4.38Å; L619-F861 HydrophobicContact CG-CD1 4.19Å; L619-F861 HydrophobicContact CG-CE1 3.56Å; L619-F861 HydrophobicContact CG-CZ 4.25Å; I622-F861 HydrophobicContact CD1-CB 4.38Å; I622-F861 HydrophobicContact CD1-CD2 3.29Å; I622-F861 HydrophobicContact CD1-CE2 3.82Å; I622-F861 HydrophobicContact CD1-CG 4.07Å; I622-F861 HydrophobicContact CG2-CB 4.28Å; H857-F861 PolarHBondContact O-N 3.48Å; L858-F861 PolarHBondContact O-N 3.48Å; F861-K863 VanDerWaalsContact C-N 3.3Å; F861-K863 PolarHBondContact O-N 3.07Å; F861-N864 PolarHBondContact O-N 3.05Å; F861-N864 VanDerWaalsContact O-N 3.14Å; F861-Q865 HydrophobicContact CD2-CG 3.77Å; F861-Q865 HydrophobicContact CE1-CG 4.11Å; F861-Q865 HydrophobicContact CE2-CG 3.25Å; F861-Q865 HydrophobicContact CG-CG 4.43Å; F861-Q865 HydrophobicContact CZ-CG 3.46Å; F861-Q865 VanDerWaalsContact CZ-CG 3.46Å; F861-Q865 WeakPolarHBondContact O-CG 3.44Å; F861-Q865 PolarHBondContact O-N 2.97Å
862	L	69.8	Low	67.2	Low	22 Å²	22	83.6 Å²	83.6	12%	0.115	42%	0.422	C	S	.	.	H	α-helix	trans	-63.3	-36.1	179.5	-69.9	169.8	0	0	0	112.3	Y615 F848 L858 L860 A866 L874	Y615-L862 HydrophobicContact CD1-CD2 4.05Å; Y615-L862 HydrophobicContact CE1-CD2 3.81Å; F848-L862 HydrophobicContact CE2-CD1 3.92Å; F848-L862 HydrophobicContact CZ-CD1 3.64Å; L858-L862 HydrophobicContact CD2-CD1 3.8Å; L858-L862 HydrophobicContact CG-CD1 3.96Å; L858-L862 HydrophobicContact CG-CG 4.39Å; L858-L862 VanDerWaalsContact O-CB 3.32Å; L858-L862 WeakPolarHBondContact O-CB 3.4Å; L858-L862 WeakPolarHBondContact O-CD1 3.42Å; L858-L862 WeakPolarHBondContact O-CG 3.35Å; L858-L862 PolarHBondContact O-N 3.39Å; L860-L862 PolarHBondContact O-N 2.9Å; L862-A866 VanDerWaalsContact O-CB 3.24Å; L862-A866 WeakPolarHBondContact O-CB 3.37Å; L862-A866 PolarHBondContact O-N 3.15Å; L862-L874 HydrophobicContact CD2-CB 4.4Å; L862-L874 HydrophobicContact CD2-CD2 3.9Å
863	K	65.8	Low	67.6	Low	144 Å²	144	82.3 Å²	82.3	63%	0.626	42%	0.421	S	S	*	.	H	α-helix	trans	-63.6	-44.8	172.6	-176.6	-178.7	178.4	-176.9	0	111.2	R859 L860 F861 M867	R859-K863 WeakPolarHBondContact O-CB 3.46Å; R859-K863 PolarHBondContact O-N 3.42Å; R859-K863 VanDerWaalsContact O-N 3.16Å; L860-K863 PolarHBondContact O-N 3.5Å; F861-K863 VanDerWaalsContact C-N 3.3Å; F861-K863 PolarHBondContact O-N 3.07Å; K863-M867 WeakPolarHBondContact O-CG 3.34Å; K863-M867 PolarHBondContact O-N 3.3Å
864	N	67.7	Low	67.9	Low	93 Å²	93	75.8 Å²	75.8	50%	0.497	39%	0.393	S	S	.	.	H	α-helix	trans	-66.3	-45.1	-179.7	-65.9	-2.3	0	0	0	111.4	L860 F861 M867 E868	L860-N864 PolarHBondContact O-N 3.08Å; L860-N864 PolarHBondContact O-OD1 2.93Å; F861-N864 PolarHBondContact O-N 3.05Å; F861-N864 VanDerWaalsContact O-N 3.14Å; N864-M867 PolarHBondContact O-N 3.01Å; N864-M867 VanDerWaalsContact O-N 3.14Å; N864-E868 PolarHBondContact O-N 3.02Å
865	Q	68.2	Low	68.1	Low	25 Å²	25	73.7 Å²	73.7	12%	0.117	39%	0.392	C	S	.	.	H	α-helix	trans	-66	-36.2	177.3	-70	-65.7	-78.4	0	0	113.5	A614 Y615 F861 M867 E868	A614-Q865 VanDerWaalsContact CA-OE1 3.24Å; Y615-Q865 HydrophobicContact CD1-CB 4.41Å; Y615-Q865 HydrophobicContact CE1-CB 3.66Å; Y615-Q865 HydrophobicContact CE1-CG 4.22Å; F861-Q865 HydrophobicContact CD2-CG 3.77Å; F861-Q865 HydrophobicContact CE1-CG 4.11Å; F861-Q865 HydrophobicContact CE2-CG 3.25Å; F861-Q865 HydrophobicContact CG-CG 4.43Å; F861-Q865 HydrophobicContact CZ-CG 3.46Å; F861-Q865 VanDerWaalsContact CZ-CG 3.46Å; F861-Q865 WeakPolarHBondContact O-CG 3.44Å; F861-Q865 PolarHBondContact O-N 2.97Å; Q865-M867 PolarHBondContact O-N 2.77Å; Q865-E868 PolarHBondContact NE2-OE2 2.91Å; Q865-E868 WeakPolarHBondContact O-CB 3.5Å; Q865-E868 PolarHBondContact O-N 3.49Å; Q865-E868 VanDerWaalsContact O-N 3.11Å
866	A	63.8	Low	68.6	Low	42 Å²	42	73.2 Å²	73.2	35%	0.347	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-8.6	174.8	0	0	0	0	0	113.7	L862	L862-A866 VanDerWaalsContact O-CB 3.24Å; L862-A866 WeakPolarHBondContact O-CB 3.37Å; L862-A866 PolarHBondContact O-N 3.15Å
867	M	61.6	Low	69.2	Low	157 Å²	157	68.8 Å²	68.8	77%	0.773	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-0.4	174.7	-58.3	-75.3	-83.5	0	0	112.2	K863 N864 Q865	K863-M867 WeakPolarHBondContact O-CG 3.34Å; K863-M867 PolarHBondContact O-N 3.3Å; N864-M867 PolarHBondContact O-N 3.01Å; N864-M867 VanDerWaalsContact O-N 3.14Å; Q865-M867 PolarHBondContact O-N 2.77Å
868	E	68.6	Low	69.9	Low	98 Å²	98	62.7 Å²	62.7	46%	0.458	34%	0.338	S	S	.	.	S	Bend	trans	-83.8	125.5	-177.9	-165.9	173.7	154.4	0	0	111.1	N864 Q865 G870 V871	N864-E868 PolarHBondContact O-N 3.02Å; Q865-E868 PolarHBondContact NE2-OE2 2.91Å; Q865-E868 WeakPolarHBondContact O-CB 3.5Å; Q865-E868 PolarHBondContact O-N 3.49Å; Q865-E868 VanDerWaalsContact O-N 3.11Å; E868-G870 PolarHBondContact O-N 3.44Å; E868-G870 VanDerWaalsContact O-N 3.08Å; E868-V871 HydrophobicContact CB-CB 4.31Å; E868-V871 HydrophobicContact CB-CG2 3.87Å; E868-V871 HydrophobicContact CG-CG2 4.03Å; E868-V871 PolarHBondContact O-N 2.92Å; E868-V871 VanDerWaalsContact O-N 3.17Å
869	P	61	Low	70.6	Confident	132 Å²	132	64.3 Å²	64.3	86%	0.857	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	109.4	-169	27.2	-34.9	0	0	0	112.4
870	G	68.9	Low	71.4	Confident	48 Å²	48	57.2 Å²	57.2	50%	0.495	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	109.4	-9	179.9	0	0	0	0	0	114.1	E868	E868-G870 PolarHBondContact O-N 3.44Å; E868-G870 VanDerWaalsContact O-N 3.08Å
871	V	72.6	Confident	72.3	Confident	22 Å²	22	52.1 Å²	52.1	13%	0.133	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-82	124.8	171.9	179.6	0	0	0	0	109.3	A614 Y615 E868	A614-V871 HydrophobicContact CB-CB 4.36Å; A614-V871 HydrophobicContact CB-CG1 3.51Å; A614-V871 HydrophobicContact CB-CG2 3.85Å; Y615-V871 HydrophobicContact CE2-CG1 4.13Å; E868-V871 HydrophobicContact CB-CB 4.31Å; E868-V871 HydrophobicContact CB-CG2 3.87Å; E868-V871 HydrophobicContact CG-CG2 4.03Å; E868-V871 PolarHBondContact O-N 2.92Å; E868-V871 VanDerWaalsContact O-N 3.17Å
872	P	74.6	Confident	72.7	Confident	9 Å²	9	53.3 Å²	53.3	6%	0.058	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-68.9	140.5	171.4	28.6	-34	0	0	0	110.2	N607 Y615 L874 L876 F877 L880	N607-P872 HydrophobicContact CB-CG 4.27Å; N607-P872 WeakPolarHBondContact O-CG 3.48Å; Y615-P872 VanDerWaalsContact CE2-O 3.23Å; Y615-P872 WeakPolarHBondContact CE2-O 3.29Å; Y615-P872 PolarHBondContact OH-O 3.39Å; P872-L874 PolarHBondContact O-N 3.5Å; P872-L876 HydrophobicContact CB-CD2 4.02Å; P872-L876 HydrophobicContact CB-CG 4.3Å; P872-F877 HydrophobicContact CB-CB 4.46Å; P872-F877 HydrophobicContact CG-CB 4.09Å; P872-F877 HydrophobicContact CG-CD2 4.21Å; P872-L880 HydrophobicContact CG-CD1 4.39Å
873	I	76.8	Confident	73.3	Confident	66 Å²	66	55.5 Å²	55.5	34%	0.338	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-54.6	140.2	173.2	-55.5	172.7	0	0	0	109.4	S875 L876 F877	I873-S875 PolarHBondContact O-N 3.48Å; I873-S875 VanDerWaalsContact O-N 3.07Å; I873-L876 CarbonylContact O-C 3.53Å; I873-L876 WeakPolarHBondContact O-CA 3.34Å; I873-L876 WeakPolarHBondContact O-CB 3.48Å; I873-L876 PolarHBondContact O-N 3.32Å; I873-F877 PolarHBondContact O-N 2.82Å
874	L	73.9	Confident	74.2	Confident	11 Å²	11	48.7 Å²	48.7	6%	0.058	29%	0.285	C	S	.	.	H	α-helix	trans	-50.7	-39.5	-174	-172.5	77.9	0	0	0	114.2	Y615 F634 F848 L862 P872 F877 L878	Y615-L874 HydrophobicContact CD1-CD1 3.9Å; Y615-L874 HydrophobicContact CD2-CD1 3.55Å; Y615-L874 HydrophobicContact CE1-CB 4.21Å; Y615-L874 HydrophobicContact CE1-CD1 4.16Å; Y615-L874 HydrophobicContact CE2-CB 3.97Å; Y615-L874 HydrophobicContact CE2-CD1 3.8Å; Y615-L874 HydrophobicContact CG-CD1 3.6Å; Y615-L874 PolarHBondContact OH-N 3.47Å; F634-L874 HydrophobicContact CE1-CD1 4.32Å; F848-L874 HydrophobicContact CD1-CD2 4.42Å; F848-L874 HydrophobicContact CD2-CD2 4.22Å; F848-L874 HydrophobicContact CE1-CD2 3.65Å; F848-L874 HydrophobicContact CE2-CD2 3.43Å; F848-L874 VanDerWaalsContact CE2-CD2 3.43Å; F848-L874 HydrophobicContact CZ-CD2 3.11Å; L862-L874 HydrophobicContact CD2-CB 4.4Å; L862-L874 HydrophobicContact CD2-CD2 3.9Å; P872-L874 PolarHBondContact O-N 3.5Å; L874-F877 HydrophobicContact CD1-CD1 4.11Å; L874-F877 PolarHBondContact O-N 2.91Å; L874-L878 HydrophobicContact CD1-CG 4.46Å; L874-L878 HydrophobicContact CD2-CD1 4.33Å; L874-L878 HydrophobicContact CG-CD1 4.02Å; L874-L878 HydrophobicContact CG-CG 4.31Å; L874-L878 VanDerWaalsContact O-CG 3.31Å; L874-L878 WeakPolarHBondContact O-CG 3.28Å; L874-L878 PolarHBondContact O-N 3.43Å
875	S	71.1	Confident	75	Confident	74 Å²	74	44.9 Å²	44.9	52%	0.517	27%	0.266	S	S	.	.	H	α-helix	trans	-59	-49.4	174.8	46.2	0	0	0	0	111.7	I873 L878 T879	I873-S875 PolarHBondContact O-N 3.48Å; I873-S875 VanDerWaalsContact O-N 3.07Å; S875-L878 PolarHBondContact O-N 3.49Å; S875-T879 PolarHBondContact O-N 3.34Å; S875-T879 PolarHBondContact O-OG1 2.81Å
876	L	76.1	Confident	75.7	Confident	79 Å²	79	49 Å²	49	41%	0.414	28%	0.28	S	S	.	.	H	α-helix	trans	-59.5	-47.2	174	179.9	63.4	0	0	0	111	P872 I873 L878 T879 L880	P872-L876 HydrophobicContact CB-CD2 4.02Å; P872-L876 HydrophobicContact CB-CG 4.3Å; I873-L876 CarbonylContact O-C 3.53Å; I873-L876 WeakPolarHBondContact O-CA 3.34Å; I873-L876 WeakPolarHBondContact O-CB 3.48Å; I873-L876 PolarHBondContact O-N 3.32Å; L876-L878 PolarHBondContact O-N 3.4Å; L876-T879 WeakPolarHBondContact CA-OG1 3.36Å; L876-T879 CarbonylContact O-C 3.58Å; L876-T879 WeakPolarHBondContact O-CA 3.34Å; L876-T879 PolarHBondContact O-N 2.95Å; L876-T879 PolarHBondContact O-OG1 3.08Å; L876-L880 WeakPolarHBondContact O-CG 3.38Å; L876-L880 PolarHBondContact O-N 3.26Å
877	F	80.1	Confident	76.7	Confident	1 Å²	1	47.8 Å²	47.8	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-56.2	-45.4	178.9	176.3	-116.8	0	0	0	112.9	L608 G611 I612 Y615 F634 I637 P872 I873 L874 T879 L880	L608-F877 HydrophobicContact CD2-CE2 4.31Å; G611-F877 VanDerWaalsContact CA-CE2 3.48Å; I612-F877 HydrophobicContact CG1-CE2 4.08Å; I612-F877 HydrophobicContact CG1-CZ 3.78Å; Y615-F877 HydrophobicContact CD2-CB 4.36Å; Y615-F877 AromaticContact CD2-CD1 3.67Å; Y615-F877 HydrophobicContact CD2-CD1 3.67Å; Y615-F877 HydrophobicContact CD2-CE1 4.11Å; Y615-F877 HydrophobicContact CD2-CG 4.05Å; Y615-F877 HydrophobicContact CE2-CB 4.17Å; Y615-F877 HydrophobicContact CE2-CD1 4.3Å; Y615-F877 HydrophobicContact CE2-CG 4.35Å; F634-F877 AromaticContact CD1-CE1 3.94Å; F634-F877 HydrophobicContact CD1-CE1 3.94Å; F634-F877 HydrophobicContact CE1-CD1 4.37Å; F634-F877 AromaticContact CE1-CE1 3.76Å; F634-F877 HydrophobicContact CE1-CE1 3.76Å; I637-F877 HydrophobicContact CD1-CD1 4.4Å; I637-F877 HydrophobicContact CD1-CE1 3.73Å; I637-F877 HydrophobicContact CD1-CE2 3.92Å; I637-F877 HydrophobicContact CD1-CZ 3.46Å; I637-F877 VanDerWaalsContact CD1-CZ 3.46Å; I637-F877 HydrophobicContact CG1-CZ 4.38Å; P872-F877 HydrophobicContact CB-CB 4.46Å; P872-F877 HydrophobicContact CG-CB 4.09Å; P872-F877 HydrophobicContact CG-CD2 4.21Å; I873-F877 PolarHBondContact O-N 2.82Å; L874-F877 HydrophobicContact CD1-CD1 4.11Å; L874-F877 PolarHBondContact O-N 2.91Å; F877-T879 VanDerWaalsContact C-N 3.26Å; F877-T879 PolarHBondContact O-N 3.47Å; F877-L880 HydrophobicContact CD2-CD1 4.18Å; F877-L880 PolarHBondContact O-N 2.94Å
878	L	78.1	Confident	77.9	Confident	13 Å²	13	40.3 Å²	40.3	7%	0.068	23%	0.232	C	C	.	.	H	α-helix	trans	-69.6	-21.8	177.2	-66.2	173.2	0	0	0	112.8	F634 Y837 Y841 L874 S875 L876	F634-L878 HydrophobicContact CD1-CD2 4.44Å; F634-L878 HydrophobicContact CE1-CD2 4.4Å; Y837-L878 WeakPolarHBondContact CE1-O 3.23Å; Y837-L878 WeakPolarHBondContact OH-CD2 3.49Å; Y837-L878 PolarHBondContact OH-O 3.41Å; Y841-L878 HydrophobicContact CE2-CB 4.17Å; Y841-L878 WeakPolarHBondContact CE2-O 3.43Å; L874-L878 HydrophobicContact CD1-CG 4.46Å; L874-L878 HydrophobicContact CD2-CD1 4.33Å; L874-L878 HydrophobicContact CG-CD1 4.02Å; L874-L878 HydrophobicContact CG-CG 4.31Å; L874-L878 VanDerWaalsContact O-CG 3.31Å; L874-L878 WeakPolarHBondContact O-CG 3.28Å; L874-L878 PolarHBondContact O-N 3.43Å; S875-L878 PolarHBondContact O-N 3.49Å; L876-L878 PolarHBondContact O-N 3.4Å
879	T	81.9	Confident	78.8	Confident	39 Å²	39	37.1 Å²	37.1	24%	0.239	22%	0.218	C	C	.	.	H	α-helix	trans	-89.3	-9.9	172.1	56.3	0	0	0	0	114.8	S875 L876 F877 S882 E883	S875-T879 PolarHBondContact O-N 3.34Å; S875-T879 PolarHBondContact O-OG1 2.81Å; L876-T879 WeakPolarHBondContact CA-OG1 3.36Å; L876-T879 CarbonylContact O-C 3.58Å; L876-T879 WeakPolarHBondContact O-CA 3.34Å; L876-T879 PolarHBondContact O-N 2.95Å; L876-T879 PolarHBondContact O-OG1 3.08Å; F877-T879 VanDerWaalsContact C-N 3.26Å; F877-T879 PolarHBondContact O-N 3.47Å; T879-S882 PolarHBondContact O-N 3.29Å; T879-S882 PolarHBondContact O-OG 2.89Å; T879-E883 PolarHBondContact O-N 3.17Å
880	L	82.5	Confident	80	Confident	11 Å²	11	35 Å²	35	6%	0.058	20%	0.2	C	C	.	.	H	α-helix	trans	-58.8	-41	179.9	-72	172.2	0	0	0	113.2	N607 L608 P872 L876 F877 S882 E883 I884	N607-L880 HydrophobicContact CB-CD1 3.61Å; N607-L880 HydrophobicContact CB-CD2 4.45Å; L608-L880 HydrophobicContact CD2-CB 3.73Å; L608-L880 HydrophobicContact CD2-CD1 4.01Å; L608-L880 HydrophobicContact CG-CB 4.16Å; L608-L880 HydrophobicContact CG-CD1 4.06Å; P872-L880 HydrophobicContact CG-CD1 4.39Å; L876-L880 WeakPolarHBondContact O-CG 3.38Å; L876-L880 PolarHBondContact O-N 3.26Å; F877-L880 HydrophobicContact CD2-CD1 4.18Å; F877-L880 PolarHBondContact O-N 2.94Å; L880-S882 PolarHBondContact O-N 2.84Å; L880-E883 PolarHBondContact O-N 3.29Å; L880-I884 PolarHBondContact O-N 2.85Å
881	P	83.6	Confident	80.8	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.6	-38.5	178.9	-30.1	41.5	0	0	0	114.6	L608 I637 V640 Y837 E883 I884 P885	L608-P881 HydrophobicContact CD2-CG 4.4Å; I637-P881 HydrophobicContact CD1-CG 4.31Å; I637-P881 HydrophobicContact CG1-CG 4.19Å; V640-P881 HydrophobicContact CG1-CB 4.16Å; V640-P881 HydrophobicContact CG1-CG 4.41Å; Y837-P881 HydrophobicContact CD1-CB 3.57Å; Y837-P881 HydrophobicContact CD1-CG 3.97Å; Y837-P881 HydrophobicContact CD2-CB 4.24Å; Y837-P881 HydrophobicContact CD2-CG 4.11Å; Y837-P881 HydrophobicContact CE1-CB 3.77Å; Y837-P881 HydrophobicContact CE1-CG 3.69Å; Y837-P881 HydrophobicContact CE2-CB 4.41Å; Y837-P881 HydrophobicContact CE2-CG 3.84Å; Y837-P881 HydrophobicContact CG-CB 3.84Å; Y837-P881 HydrophobicContact CG-CG 4.18Å; P881-E883 VanDerWaalsContact C-N 3.29Å; P881-E883 PolarHBondContact O-N 2.78Å; P881-I884 PolarHBondContact O-N 3.3Å; P881-P885 WeakPolarHBondContact O-CD 3.4Å
882	S	80.5	Confident	81.5	Confident	33 Å²	33	31.9 Å²	31.9	23%	0.231	17%	0.171	C	C	.	.	H	α-helix	trans	-73.6	-19	177.9	42	0	0	0	0	113.5	T879 L880	T879-S882 PolarHBondContact O-N 3.29Å; T879-S882 PolarHBondContact O-OG 2.89Å; L880-S882 PolarHBondContact O-N 2.84Å
883	E	81.1	Confident	82.2	Confident	69 Å²	69	36.3 Å²	36.3	32%	0.322	19%	0.19	S	C	.	.	H	α-helix	trans	-82.8	-14.6	172.9	-72.9	-57.2	123.5	0	0	114	T879 L880 P881 R886 C887	T879-E883 PolarHBondContact O-N 3.17Å; L880-E883 PolarHBondContact O-N 3.29Å; P881-E883 VanDerWaalsContact C-N 3.29Å; P881-E883 PolarHBondContact O-N 2.78Å; E883-R886 PolarHBondContact O-N 3.03Å; E883-R886 WeakPolarHBondContact OE1-CD 3.14Å; E883-R886 IonicContact OE1-CZ 3.14Å; E883-R886 IonicContact OE1-NE 3.84Å; E883-R886 IonicContact OE1-NH1 3.79Å; E883-R886 PolarHBondContact OE1-NH1 3.48Å; E883-C887 VanDerWaalsContact O-CB 3.25Å; E883-C887 WeakPolarHBondContact O-CB 3.18Å; E883-C887 PolarHBondContact O-N 3.16Å
884	I	85.1	Confident	82.5	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-51.8	179.4	-62.4	161.1	0	0	0	111.9	I604 L608 V640 T644 L830 L880 P881 R886 C887 L888	I604-I884 HydrophobicContact CG2-CG1 3.96Å; L608-I884 HydrophobicContact CD1-CD1 4.2Å; V640-I884 HydrophobicContact CG1-CD1 3.46Å; V640-I884 VanDerWaalsContact CG1-CD1 3.46Å; T644-I884 WeakPolarHBondContact OG1-CD1 3.07Å; L830-I884 HydrophobicContact CD1-CG2 4.38Å; L830-I884 HydrophobicContact CD2-CG2 3.88Å; L830-I884 HydrophobicContact CG-CG2 4.32Å; L880-I884 PolarHBondContact O-N 2.85Å; P881-I884 PolarHBondContact O-N 3.3Å; I884-R886 VanDerWaalsContact C-N 3.32Å; I884-R886 PolarHBondContact O-N 2.91Å; I884-C887 PolarHBondContact O-N 2.63Å; I884-L888 HydrophobicContact CG2-CD1 3.97Å; I884-L888 HydrophobicContact CG2-CG 4.44Å; I884-L888 WeakPolarHBondContact O-CG 3.46Å; I884-L888 PolarHBondContact O-N 2.95Å
885	P	84.8	Confident	83	Confident	13 Å²	13	35.7 Å²	35.7	8%	0.084	19%	0.187	C	C	.	.	H	α-helix	trans	-64.4	-36.7	-179.5	-21.3	34.7	0	0	0	112.3	L831 C834 P881 L888 L889 L916 L920	L831-P885 HydrophobicContact CD2-CB 4.23Å; L831-P885 HydrophobicContact CD2-CG 4.28Å; C834-P885 HydrophobicContact CB-CG 4.29Å; P881-P885 WeakPolarHBondContact O-CD 3.4Å; P885-L888 PolarHBondContact O-N 3.42Å; P885-L889 WeakPolarHBondContact O-CB 3.32Å; P885-L889 PolarHBondContact O-N 3.16Å; P885-L916 HydrophobicContact CB-CD2 4.01Å; P885-L920 HydrophobicContact CB-CD1 4.45Å; P885-L920 HydrophobicContact CB-CD2 4.31Å
886	R	82.7	Confident	83.7	Confident	110 Å²	110	34.6 Å²	34.6	42%	0.415	17%	0.174	S	C	.	.	H	α-helix	trans	-62.8	-44.4	174.9	-69.2	172.3	169.2	-178.5	-4.6	111.7	E883 I884 N890	E883-R886 PolarHBondContact O-N 3.03Å; E883-R886 WeakPolarHBondContact OE1-CD 3.14Å; E883-R886 IonicContact OE1-CZ 3.14Å; E883-R886 IonicContact OE1-NE 3.84Å; E883-R886 IonicContact OE1-NH1 3.79Å; E883-R886 PolarHBondContact OE1-NH1 3.48Å; I884-R886 VanDerWaalsContact C-N 3.32Å; I884-R886 PolarHBondContact O-N 2.91Å; R886-N890 WeakPolarHBondContact O-CB 3.18Å; R886-N890 PolarHBondContact O-N 3.17Å
887	C	85.9	Confident	84.2	Confident	17 Å²	17	38.4 Å²	38.4	12%	0.115	19%	0.187	C	C	.	.	H	α-helix	trans	-63	-42.4	176.3	-176	0	0	0	0	111.9	I604 E883 I884 G891	I604-C887 HydrophobicContact CD1-CB 3.87Å; E883-C887 VanDerWaalsContact O-CB 3.25Å; E883-C887 WeakPolarHBondContact O-CB 3.18Å; E883-C887 PolarHBondContact O-N 3.16Å; I884-C887 PolarHBondContact O-N 2.63Å; C887-G891 PolarHBondContact O-N 2.96Å
888	L	86.1	Confident	84.2	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-65.5	-50.9	176.7	-69.1	171.5	0	0	0	111.7	L597 L601 L647 L827 L830 I884 P885 N890 G891 L892 L916	L597-L888 HydrophobicContact CD1-CD2 4.28Å; L601-L888 HydrophobicContact CD1-CD2 4.29Å; L601-L888 HydrophobicContact CD2-CD2 4.22Å; L647-L888 HydrophobicContact CD2-CD1 4.12Å; L647-L888 HydrophobicContact CD2-CD2 3.8Å; L827-L888 HydrophobicContact CD1-CD1 4.44Å; L830-L888 HydrophobicContact CD2-CD1 3.75Å; I884-L888 HydrophobicContact CG2-CD1 3.97Å; I884-L888 HydrophobicContact CG2-CG 4.44Å; I884-L888 WeakPolarHBondContact O-CG 3.46Å; I884-L888 PolarHBondContact O-N 2.95Å; P885-L888 PolarHBondContact O-N 3.42Å; L888-N890 VanDerWaalsContact C-N 3.31Å; L888-N890 PolarHBondContact O-N 2.98Å; L888-G891 PolarHBondContact O-N 3.08Å; L888-G891 VanDerWaalsContact O-N 3.17Å; L888-L892 WeakPolarHBondContact O-CB 3.27Å; L888-L892 VanDerWaalsContact O-CG 3.3Å; L888-L892 WeakPolarHBondContact O-CG 3.48Å; L888-L892 PolarHBondContact O-N 3.12Å; L888-L916 HydrophobicContact CB-CD1 3.87Å; L888-L916 HydrophobicContact CB-CD2 4.15Å
889	L	87.7	Confident	84.3	Confident	31 Å²	31	40.4 Å²	40.4	16%	0.162	20%	0.196	C	C	.	.	H	α-helix	trans	-57.3	-44.4	179.5	-178.9	62.7	0	0	0	111.8	P885 K893 I913 L916 L920	P885-L889 WeakPolarHBondContact O-CB 3.32Å; P885-L889 PolarHBondContact O-N 3.16Å; L889-K893 HydrophobicContact CD1-CD 4.22Å; L889-K893 HydrophobicContact CD1-CG 4.44Å; L889-K893 HydrophobicContact CG-CD 4.38Å; L889-K893 WeakPolarHBondContact O-CB 3.3Å; L889-K893 WeakPolarHBondContact O-CG 3.49Å; L889-K893 PolarHBondContact O-N 3.05Å; L889-I913 HydrophobicContact CD1-CG2 4.02Å; L889-L916 HydrophobicContact CB-CB 4.29Å; L889-L916 HydrophobicContact CD1-CB 3.97Å; L889-L920 HydrophobicContact CD2-CD1 3.85Å
890	N	86.2	Confident	84.1	Confident	88 Å²	88	42.2 Å²	42.2	47%	0.471	21%	0.21	S	C	.	.	H	α-helix	trans	-68.1	-42.3	177.3	-170.8	7.7	0	0	0	111.7	R886 L888 N894	R886-N890 WeakPolarHBondContact O-CB 3.18Å; R886-N890 PolarHBondContact O-N 3.17Å; L888-N890 VanDerWaalsContact C-N 3.31Å; L888-N890 PolarHBondContact O-N 2.98Å; N890-N894 PolarHBondContact O-N 3.2Å; N890-N894 PolarHBondContact O-ND2 2.92Å; N890-N894 PolarHBondContact OD1-ND2 3.37Å
891	G	85.8	Confident	83.8	Confident	3 Å²	3	47.9 Å²	47.9	3%	0.031	24%	0.24	C	C	.	.	H	α-helix	trans	-60.6	-51	176.1	0	0	0	0	0	112.6	C887 L888 K893 N894 I895	C887-G891 PolarHBondContact O-N 2.96Å; L888-G891 PolarHBondContact O-N 3.08Å; L888-G891 VanDerWaalsContact O-N 3.17Å; G891-K893 PolarHBondContact O-N 2.75Å; G891-N894 PolarHBondContact O-N 3.34Å; G891-N894 VanDerWaalsContact O-N 3.16Å; G891-I895 WeakPolarHBondContact O-CG1 3.5Å; G891-I895 PolarHBondContact O-N 3.17Å
892	L	87.6	Confident	83.2	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.4	-41.1	-178.7	-64.3	177.1	0	0	0	112.3	L597 V823 L888 N894 I895 E896 L909 C912 I913 L916	L597-L892 HydrophobicContact CD2-CD2 4.25Å; V823-L892 HydrophobicContact CG1-CD1 4.27Å; V823-L892 HydrophobicContact CG2-CD2 4.28Å; L888-L892 WeakPolarHBondContact O-CB 3.27Å; L888-L892 VanDerWaalsContact O-CG 3.3Å; L888-L892 WeakPolarHBondContact O-CG 3.48Å; L888-L892 PolarHBondContact O-N 3.12Å; L892-N894 VanDerWaalsContact C-N 3.28Å; L892-N894 PolarHBondContact O-N 3.16Å; L892-I895 HydrophobicContact CD2-CD1 4.41Å; L892-I895 PolarHBondContact O-N 3.33Å; L892-I895 VanDerWaalsContact O-N 3.12Å; L892-E896 WeakPolarHBondContact O-CB 3.37Å; L892-E896 PolarHBondContact O-N 3.06Å; L892-L909 HydrophobicContact CB-CD1 3.78Å; L892-L909 HydrophobicContact CD2-CD1 3.6Å; L892-L909 HydrophobicContact CG-CD1 4.16Å; L892-C912 HydrophobicContact CD1-CB 3.89Å; L892-I913 HydrophobicContact CB-CD1 3.93Å; L892-I913 HydrophobicContact CB-CG1 3.65Å; L892-I913 HydrophobicContact CD1-CG1 4.39Å; L892-L916 HydrophobicContact CD1-CD1 3.58Å
893	K	88	Confident	83.1	Confident	103 Å²	103	57.1 Å²	57.1	45%	0.448	28%	0.28	S	S	.	.	H	α-helix	trans	-61.9	-32	173.6	-77.8	-177.2	171.2	-175.7	0	113.5	L889 G891 K897 I913	L889-K893 HydrophobicContact CD1-CD 4.22Å; L889-K893 HydrophobicContact CD1-CG 4.44Å; L889-K893 HydrophobicContact CG-CD 4.38Å; L889-K893 WeakPolarHBondContact O-CB 3.3Å; L889-K893 WeakPolarHBondContact O-CG 3.49Å; L889-K893 PolarHBondContact O-N 3.05Å; G891-K893 PolarHBondContact O-N 2.75Å; K893-K897 PolarHBondContact O-N 3.38Å; K893-K897 VanDerWaalsContact O-N 3.15Å; K893-I913 HydrophobicContact CG-CD1 4.11Å; K893-I913 HydrophobicContact CG-CG1 4.49Å; K893-I913 HydrophobicContact CG-CG2 4.15Å
894	N	83.8	Confident	83.1	Confident	64 Å²	64	59.4 Å²	59.4	34%	0.342	29%	0.289	S	S	.	.	H	α-helix	trans	-73.7	-34.7	173.4	-75.8	-70.6	0	0	0	112.1	A593 N890 G891 L892 F898	A593-N894 HydrophobicContact CB-CB 4.22Å; N890-N894 PolarHBondContact O-N 3.2Å; N890-N894 PolarHBondContact O-ND2 2.92Å; N890-N894 PolarHBondContact OD1-ND2 3.37Å; G891-N894 PolarHBondContact O-N 3.34Å; G891-N894 VanDerWaalsContact O-N 3.16Å; L892-N894 VanDerWaalsContact C-N 3.28Å; L892-N894 PolarHBondContact O-N 3.16Å; N894-F898 WeakPolarHBondContact O-CD2 3.45Å
895	I	85.1	Confident	83.1	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-68.4	-40.5	173	-64.2	165.7	0	0	0	110.5	A593 I594 L597 P819 G891 L892 K897 F898 T899 L909	A593-I895 HydrophobicContact CB-CB 4.46Å; A593-I895 HydrophobicContact CB-CG1 3.71Å; I594-I895 HydrophobicContact CG1-CD1 3.86Å; I594-I895 HydrophobicContact CG1-CG1 4.02Å; I594-I895 HydrophobicContact CG1-CG2 4.4Å; L597-I895 HydrophobicContact CD2-CD1 3.81Å; P819-I895 HydrophobicContact CB-CD1 4.43Å; P819-I895 HydrophobicContact CG-CD1 4.43Å; P819-I895 HydrophobicContact CG-CG2 3.99Å; G891-I895 WeakPolarHBondContact O-CG1 3.5Å; G891-I895 PolarHBondContact O-N 3.17Å; L892-I895 HydrophobicContact CD2-CD1 4.41Å; L892-I895 PolarHBondContact O-N 3.33Å; L892-I895 VanDerWaalsContact O-N 3.12Å; I895-K897 PolarHBondContact O-N 3.37Å; I895-F898 CarbonylContact O-C 3.58Å; I895-F898 PolarHBondContact O-N 3.33Å; I895-T899 WeakPolarHBondContact O-CB 3.3Å; I895-T899 PolarHBondContact O-N 3.05Å; I895-T899 VanDerWaalsContact O-N 3.1Å; I895-T899 PolarHBondContact O-OG1 3.46Å; I895-L909 HydrophobicContact CG2-CD2 4.06Å
896	E	86.1	Confident	83	Confident	51 Å²	51	60.2 Å²	60.2	24%	0.238	29%	0.29	C	S	.	.	H	α-helix	trans	-58.5	-46.7	177.7	-173.6	-161.3	167.4	0	0	111.4	L892 F898 T899 R906 L909 I913	L892-E896 WeakPolarHBondContact O-CB 3.37Å; L892-E896 PolarHBondContact O-N 3.06Å; E896-F898 PolarHBondContact O-N 3.43Å; E896-T899 PolarHBondContact O-N 2.88Å; E896-R906 PolarHBondContact O-NH1 3.24Å; E896-R906 IonicContact OE1-CZ 3.45Å; E896-R906 IonicContact OE1-NH1 3.53Å; E896-R906 IonicContact OE1-NH2 3.58Å; E896-R906 PolarHBondContact OE1-NH2 3.2Å; E896-L909 HydrophobicContact CB-CD2 3.85Å; E896-L909 HydrophobicContact CB-CG 4.33Å; E896-L909 HydrophobicContact CG-CD2 4.38Å; E896-I913 HydrophobicContact CB-CD1 3.88Å; E896-I913 HydrophobicContact CG-CD1 4.2Å; E896-I913 WeakPolarHBondContact OE2-CD1 3.36Å
897	K	85	Confident	83.1	Confident	159 Å²	159	59 Å²	59	69%	0.691	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-26.1	178.5	-177.7	174.2	178.7	178.2	0	114.1	K893 I895	K893-K897 PolarHBondContact O-N 3.38Å; K893-K897 VanDerWaalsContact O-N 3.15Å; I895-K897 PolarHBondContact O-N 3.37Å
898	F	80.6	Confident	83	Confident	51 Å²	51	58.7 Å²	58.7	22%	0.224	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	7.2	-180	-54	-60.1	0	0	0	113.1	N589 R590 A593 N894 I895 E896	N589-F898 HydrophobicContact CB-CB 4.22Å; N589-F898 HydrophobicContact CB-CD1 3.51Å; N589-F898 HydrophobicContact CB-CD2 3.76Å; N589-F898 HydrophobicContact CB-CE1 3.68Å; N589-F898 HydrophobicContact CB-CE2 3.93Å; N589-F898 HydrophobicContact CB-CG 3.56Å; N589-F898 HydrophobicContact CB-CZ 3.89Å; R590-F898 HydrophobicContact CB-CB 3.75Å; A593-F898 HydrophobicContact CB-CD2 4.24Å; N894-F898 WeakPolarHBondContact O-CD2 3.45Å; I895-F898 CarbonylContact O-C 3.58Å; I895-F898 PolarHBondContact O-N 3.33Å; E896-F898 PolarHBondContact O-N 3.43Å
899	T	80.7	Confident	83	Confident	4 Å²	4	58.6 Å²	58.6	3%	0.025	30%	0.295	C	S	.	.	S	Bend	trans	-107	106.1	178.7	-62.1	0	0	0	0	109.9	R590 I895 E896 H903 R906	R590-T899 WeakPolarHBondContact CD-OG1 3.36Å; R590-T899 PolarHBondContact NE-OG1 3.28Å; R590-T899 VanDerWaalsContact NE-OG1 3.12Å; I895-T899 WeakPolarHBondContact O-CB 3.3Å; I895-T899 PolarHBondContact O-N 3.05Å; I895-T899 VanDerWaalsContact O-N 3.1Å; I895-T899 PolarHBondContact O-OG1 3.46Å; E896-T899 PolarHBondContact O-N 2.88Å; T899-H903 HydrophobicContact CG2-CB 3.64Å; T899-R906 PolarHBondContact O-NH1 3.27Å; T899-R906 VanDerWaalsContact O-NH1 3.08Å
900	S	77.2	Confident	83	Confident	77 Å²	77	61.3 Å²	61.3	54%	0.538	31%	0.306	S	S	.	.			trans	-54.4	145.7	178.9	62.5	0	0	0	0	112.8	Q902 H903	S900-Q902 PolarHBondContact O-N 2.83Å; S900-H903 WeakPolarHBondContact O-CB 3.44Å; S900-H903 PolarHBondContact O-N 2.94Å
901	D	75.8	Confident	83	Confident	131 Å²	131	62.8 Å²	62.8	70%	0.701	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-26.2	-176.4	-46.4	-37.7	0	0	0	114	H903 R906	D901-H903 VanDerWaalsContact C-N 3.29Å; D901-H903 PolarHBondContact O-N 3.01Å; D901-R906 IonicContact OD1-CZ 2.74Å; D901-R906 IonicContact OD1-NE 3.98Å; D901-R906 IonicContact OD1-NH1 2.65Å
902	Q	72.2	Confident	83.1	Confident	196 Å²	196	62.7 Å²	62.7	92%	0.916	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	0.3	177.1	-59.2	-176.5	7.3	0	0	113.9	S900	S900-Q902 PolarHBondContact O-N 2.83Å
903	H	78.5	Confident	83.1	Confident	31 Å²	31	63.5 Å²	63.5	14%	0.144	31%	0.312	C	S	.	.	S	Bend	trans	-78.6	138.1	-177.1	-168.8	-97.2	0	0	0	112.2	R590 D817 T899 S900 D901 D905 R906	R590-H903 PolarHBondContact NH2-CE1 2.91Å; D817-H903 PolarHBondContact O-CE1 3.35Å; T899-H903 HydrophobicContact CG2-CB 3.64Å; S900-H903 WeakPolarHBondContact O-CB 3.44Å; S900-H903 PolarHBondContact O-N 2.94Å; D901-H903 VanDerWaalsContact C-N 3.29Å; D901-H903 PolarHBondContact O-N 3.01Å; H903-D905 WeakPolarHBondContact ND1-CB 3.39Å; H903-D905 PolarHBondContact ND1-N 3.22Å; H903-D905 PolarHBondContact O-N 2.85Å; H903-R906 WeakPolarHBondContact O-CB 3.14Å; H903-R906 PolarHBondContact O-N 3.08Å
904	K	81.2	Confident	83.1	Confident	117 Å²	117	64.8 Å²	64.8	51%	0.509	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-33	-175.2	-65	172.1	-175.2	162.5	0	114.4	G814 H815	G814-K904 PolarHBondContact O-NZ 3.11Å; H815-K904 PolarHBondContact CD2-NZ 3.47Å; H815-K904 PolarHBondContact NE2-NZ 2.81Å
905	D	83.6	Confident	83.1	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-12.4	-176.8	-163.6	59.2	0	0	0	113.8	N818 P819 G820 T821 H903 A908 L909	N818-D905 VanDerWaalsContact C-OD1 3.31Å; N818-D905 VanDerWaalsContact CA-CG 3.46Å; N818-D905 WeakPolarHBondContact CA-OD1 3.48Å; N818-D905 HydrophobicContact CB-CB 4.3Å; N818-D905 WeakPolarHBondContact CB-OD1 3.43Å; P819-D905 WeakPolarHBondContact CD-OD2 3.21Å; G820-D905 WeakPolarHBondContact CA-OD2 3.32Å; G820-D905 PolarHBondContact N-OD1 2.97Å; G820-D905 PolarHBondContact N-OD2 3.34Å; T821-D905 WeakPolarHBondContact CB-OD1 3.41Å; T821-D905 PolarHBondContact N-OD1 3.11Å; T821-D905 PolarHBondContact OG1-OD1 2.89Å; H903-D905 WeakPolarHBondContact ND1-CB 3.39Å; H903-D905 PolarHBondContact ND1-N 3.22Å; H903-D905 PolarHBondContact O-N 2.85Å; D905-A908 PolarHBondContact O-N 3.14Å; D905-A908 VanDerWaalsContact O-N 3.14Å; D905-L909 WeakPolarHBondContact O-CB 3.37Å; D905-L909 PolarHBondContact O-N 3.2Å
906	R	83	Confident	83.1	Confident	30 Å²	30	63.2 Å²	63.2	11%	0.113	31%	0.313	C	S	.	.	H	α-helix	trans	-48.6	-51.8	-179.3	-176.4	80	-164.5	170.3	21.8	113.5	E896 T899 D901 H903 A908 L909 E910	E896-R906 PolarHBondContact O-NH1 3.24Å; E896-R906 IonicContact OE1-CZ 3.45Å; E896-R906 IonicContact OE1-NH1 3.53Å; E896-R906 IonicContact OE1-NH2 3.58Å; E896-R906 PolarHBondContact OE1-NH2 3.2Å; T899-R906 PolarHBondContact O-NH1 3.27Å; T899-R906 VanDerWaalsContact O-NH1 3.08Å; D901-R906 IonicContact OD1-CZ 2.74Å; D901-R906 IonicContact OD1-NE 3.98Å; D901-R906 IonicContact OD1-NH1 2.65Å; H903-R906 WeakPolarHBondContact O-CB 3.14Å; H903-R906 PolarHBondContact O-N 3.08Å; R906-A908 PolarHBondContact O-N 3.23Å; R906-L909 WeakPolarHBondContact O-CB 3.4Å; R906-L909 PolarHBondContact O-N 3.04Å; R906-E910 IonicContact CZ-OE1 2.71Å; R906-E910 IonicContact NE-OE1 2.76Å; R906-E910 PolarHBondContact NE-OE1 3.01Å; R906-E910 IonicContact NH2-OE1 3.26Å; R906-E910 PolarHBondContact NH2-OE1 2.77Å; R906-E910 WeakPolarHBondContact O-CG 3.37Å; R906-E910 PolarHBondContact O-N 2.98Å
907	P	84.5	Confident	83	Confident	84 Å²	84	62.6 Å²	62.6	55%	0.545	32%	0.315	S	S	.	.	H	α-helix	trans	-69.2	-30.6	-179.2	26.7	-36	0	0	0	113.9	K911	P907-K911 VanDerWaalsContact O-CB 3.24Å; P907-K911 WeakPolarHBondContact O-CB 3.41Å; P907-K911 PolarHBondContact O-N 2.95Å
908	A	84.9	Confident	82.8	Confident	11 Å²	11	58 Å²	58	9%	0.091	30%	0.298	C	S	.	.	H	α-helix	trans	-71.3	-38.6	175.3	0	0	0	0	0	110.9	D905 R906 K911 C912	D905-A908 PolarHBondContact O-N 3.14Å; D905-A908 VanDerWaalsContact O-N 3.14Å; R906-A908 PolarHBondContact O-N 3.23Å; A908-K911 PolarHBondContact O-N 2.9Å; A908-C912 WeakPolarHBondContact O-CB 3.35Å; A908-C912 PolarHBondContact O-N 2.96Å; A908-C912 PolarHBondContact O-SG 3.3Å
909	L	86.4	Confident	82.7	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.9	-48.6	175.3	-175.1	59.8	0	0	0	111.8	L892 I895 E896 D905 R906 K911 C912 I913	L892-L909 HydrophobicContact CB-CD1 3.78Å; L892-L909 HydrophobicContact CD2-CD1 3.6Å; L892-L909 HydrophobicContact CG-CD1 4.16Å; I895-L909 HydrophobicContact CG2-CD2 4.06Å; E896-L909 HydrophobicContact CB-CD2 3.85Å; E896-L909 HydrophobicContact CB-CG 4.33Å; E896-L909 HydrophobicContact CG-CD2 4.38Å; D905-L909 WeakPolarHBondContact O-CB 3.37Å; D905-L909 PolarHBondContact O-N 3.2Å; R906-L909 WeakPolarHBondContact O-CB 3.4Å; R906-L909 PolarHBondContact O-N 3.04Å; L909-K911 PolarHBondContact O-N 2.76Å; L909-C912 PolarHBondContact O-N 3.3Å; L909-I913 HydrophobicContact CD1-CD1 4.16Å; L909-I913 HydrophobicContact CG-CD1 4.05Å; L909-I913 WeakPolarHBondContact O-CB 3.21Å; L909-I913 VanDerWaalsContact O-CG1 3.3Å; L909-I913 WeakPolarHBondContact O-CG1 3.35Å; L909-I913 PolarHBondContact O-N 2.72Å
910	E	86.7	Confident	82.4	Confident	87 Å²	87	59.6 Å²	59.6	41%	0.407	31%	0.311	S	S	.	.	H	α-helix	trans	-60.9	-42.7	175.1	-73	173.4	174.1	0	0	112.1	R906 C912 I913 K914	R906-E910 IonicContact CZ-OE1 2.71Å; R906-E910 IonicContact NE-OE1 2.76Å; R906-E910 PolarHBondContact NE-OE1 3.01Å; R906-E910 IonicContact NH2-OE1 3.26Å; R906-E910 PolarHBondContact NH2-OE1 2.77Å; R906-E910 WeakPolarHBondContact O-CG 3.37Å; R906-E910 PolarHBondContact O-N 2.98Å; E910-C912 PolarHBondContact O-N 3.19Å; E910-I913 PolarHBondContact O-N 2.95Å; E910-K914 WeakPolarHBondContact O-CB 3.44Å; E910-K914 PolarHBondContact O-N 3.24Å
911	K	86.9	Confident	82	Confident	120 Å²	120	60.3 Å²	60.3	52%	0.522	31%	0.312	S	S	.	.	H	α-helix	trans	-61.4	-41.6	174.8	-176.4	179.5	176.9	-173.1	0	112.3	E824 P907 A908 L909 A915	E824-K911 WeakPolarHBondContact OE1-CE 3.4Å; E824-K911 IonicContact OE1-NZ 3.19Å; E824-K911 PolarHBondContact OE1-NZ 2.77Å; P907-K911 VanDerWaalsContact O-CB 3.24Å; P907-K911 WeakPolarHBondContact O-CB 3.41Å; P907-K911 PolarHBondContact O-N 2.95Å; A908-K911 PolarHBondContact O-N 2.9Å; L909-K911 PolarHBondContact O-N 2.76Å; K911-A915 WeakPolarHBondContact O-CB 3.37Å; K911-A915 PolarHBondContact O-N 2.89Å
912	C	87.4	Confident	80.8	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.007	31%	0.307	C	S	.	.	H	α-helix	trans	-66.4	-43.4	175.1	-71.2	0	0	0	0	112.2	G820 V823 L827 L892 A908 L909 E910 K914 A915 L916	G820-C912 PolarHBondContact O-SG 2.93Å; V823-C912 HydrophobicContact CG1-CB 4.39Å; L827-C912 HydrophobicContact CD2-CB 3.96Å; L892-C912 HydrophobicContact CD1-CB 3.89Å; A908-C912 WeakPolarHBondContact O-CB 3.35Å; A908-C912 PolarHBondContact O-N 2.96Å; A908-C912 PolarHBondContact O-SG 3.3Å; L909-C912 PolarHBondContact O-N 3.3Å; E910-C912 PolarHBondContact O-N 3.19Å; C912-K914 VanDerWaalsContact C-N 3.33Å; C912-A915 PolarHBondContact O-N 3.47Å; C912-L916 WeakPolarHBondContact O-CB 3.38Å; C912-L916 WeakPolarHBondContact O-CD1 3.39Å; C912-L916 WeakPolarHBondContact O-CG 3.42Å; C912-L916 PolarHBondContact O-N 3.46Å
913	I	87.9	Confident	79.7	Confident	16 Å²	16	53.1 Å²	53.1	8%	0.082	28%	0.283	C	S	.	.	H	α-helix	trans	-64.1	-40.4	178.4	-71.4	170.6	0	0	0	110.6	L889 L892 K893 E896 L909 E910 L916 S917	L889-I913 HydrophobicContact CD1-CG2 4.02Å; L892-I913 HydrophobicContact CB-CD1 3.93Å; L892-I913 HydrophobicContact CB-CG1 3.65Å; L892-I913 HydrophobicContact CD1-CG1 4.39Å; K893-I913 HydrophobicContact CG-CD1 4.11Å; K893-I913 HydrophobicContact CG-CG1 4.49Å; K893-I913 HydrophobicContact CG-CG2 4.15Å; E896-I913 HydrophobicContact CB-CD1 3.88Å; E896-I913 HydrophobicContact CG-CD1 4.2Å; E896-I913 WeakPolarHBondContact OE2-CD1 3.36Å; L909-I913 HydrophobicContact CD1-CD1 4.16Å; L909-I913 HydrophobicContact CG-CD1 4.05Å; L909-I913 WeakPolarHBondContact O-CB 3.21Å; L909-I913 VanDerWaalsContact O-CG1 3.3Å; L909-I913 WeakPolarHBondContact O-CG1 3.35Å; L909-I913 PolarHBondContact O-N 2.72Å; E910-I913 PolarHBondContact O-N 2.95Å; I913-L916 PolarHBondContact O-N 3.11Å; I913-S917 PolarHBondContact O-N 3.45Å; I913-S917 PolarHBondContact O-OG 3.16Å
914	K	87.2	Confident	77.4	Confident	131 Å²	131	54.6 Å²	54.6	57%	0.57	29%	0.292	S	S	*	.	H	α-helix	trans	-63.8	-50	172.3	-177.9	172.3	178.6	177.9	0	111.9	E910 C912 L916 S917 D918	E910-K914 WeakPolarHBondContact O-CB 3.44Å; E910-K914 PolarHBondContact O-N 3.24Å; C912-K914 VanDerWaalsContact C-N 3.33Å; K914-L916 PolarHBondContact O-N 3.15Å; K914-S917 WeakPolarHBondContact CA-OG 3.39Å; K914-S917 PolarHBondContact O-N 3.2Å; K914-S917 VanDerWaalsContact O-N 3.13Å; K914-S917 PolarHBondContact O-OG 3.13Å; K914-D918 WeakPolarHBondContact CE-OD2 3.48Å; K914-D918 WeakPolarHBondContact CG-OD2 3.34Å; K914-D918 VanDerWaalsContact O-CB 3.3Å; K914-D918 WeakPolarHBondContact O-CB 3.41Å; K914-D918 PolarHBondContact O-N 3.04Å; K914-D918 VanDerWaalsContact O-OD1 3.11Å
915	A	85.2	Confident	74.7	Confident	31 Å²	31	57.9 Å²	57.9	26%	0.256	31%	0.307	S	S	.	.	H	α-helix	trans	-58.7	-33.7	177.6	0	0	0	0	0	112.5	L827 K911 C912 A919	L827-A915 HydrophobicContact CD2-CB 3.91Å; K911-A915 WeakPolarHBondContact O-CB 3.37Å; K911-A915 PolarHBondContact O-N 2.89Å; C912-A915 PolarHBondContact O-N 3.47Å; A915-A919 WeakPolarHBondContact O-CB 3.47Å; A915-A919 PolarHBondContact O-N 3.48Å
916	L	84.8	Confident	72	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-75.4	-36.5	174.3	-82.4	157.5	0	0	0	114	L827 L831 P885 L888 L889 L892 C912 I913 K914 L920	L827-L916 HydrophobicContact CD1-CD1 4.06Å; L827-L916 HydrophobicContact CD1-CD2 4.05Å; L827-L916 HydrophobicContact CD1-CG 3.92Å; L827-L916 HydrophobicContact CD2-CD1 4.4Å; L827-L916 HydrophobicContact CD2-CG 4.28Å; L831-L916 HydrophobicContact CD2-CD2 3.96Å; P885-L916 HydrophobicContact CB-CD2 4.01Å; L888-L916 HydrophobicContact CB-CD1 3.87Å; L888-L916 HydrophobicContact CB-CD2 4.15Å; L889-L916 HydrophobicContact CB-CB 4.29Å; L889-L916 HydrophobicContact CD1-CB 3.97Å; L892-L916 HydrophobicContact CD1-CD1 3.58Å; C912-L916 WeakPolarHBondContact O-CB 3.38Å; C912-L916 WeakPolarHBondContact O-CD1 3.39Å; C912-L916 WeakPolarHBondContact O-CG 3.42Å; C912-L916 PolarHBondContact O-N 3.46Å; I913-L916 PolarHBondContact O-N 3.11Å; K914-L916 PolarHBondContact O-N 3.15Å; L916-L920 WeakPolarHBondContact O-CB 3.37Å; L916-L920 WeakPolarHBondContact O-CD1 3.48Å; L916-L920 WeakPolarHBondContact O-CG 3.4Å; L916-L920 PolarHBondContact O-N 2.68Å
917	S	83.5	Confident	69.2	Low	38 Å²	38	68.7 Å²	68.7	27%	0.266	38%	0.375	S	S	.	.	H	α-helix	trans	-66.5	-47.9	171.6	56.4	0	0	0	0	110.5	I913 K914 A919 L920 T921	I913-S917 PolarHBondContact O-N 3.45Å; I913-S917 PolarHBondContact O-OG 3.16Å; K914-S917 WeakPolarHBondContact CA-OG 3.39Å; K914-S917 PolarHBondContact O-N 3.2Å; K914-S917 VanDerWaalsContact O-N 3.13Å; K914-S917 PolarHBondContact O-OG 3.13Å; S917-A919 VanDerWaalsContact C-N 3.34Å; S917-A919 PolarHBondContact O-N 3.32Å; S917-L920 CarbonylContact O-C 3.51Å; S917-L920 WeakPolarHBondContact O-CA 3.36Å; S917-L920 PolarHBondContact O-N 2.81Å; S917-T921 PolarHBondContact O-N 3.22Å; S917-T921 PolarHBondContact O-OG1 3.07Å; S917-T921 VanDerWaalsContact O-OG1 3.09Å
918	D	81.1	Confident	66.5	Low	63 Å²	63	71.3 Å²	71.3	34%	0.337	39%	0.39	S	S	.	.	H	α-helix	trans	-63.5	-41.3	-176.3	-62.4	5.3	0	0	0	110	K914 L920 T921 C922	K914-D918 WeakPolarHBondContact CE-OD2 3.48Å; K914-D918 WeakPolarHBondContact CG-OD2 3.34Å; K914-D918 VanDerWaalsContact O-CB 3.3Å; K914-D918 WeakPolarHBondContact O-CB 3.41Å; K914-D918 PolarHBondContact O-N 3.04Å; K914-D918 VanDerWaalsContact O-OD1 3.11Å; D918-L920 PolarHBondContact O-N 3.15Å; D918-T921 PolarHBondContact O-N 2.98Å; D918-T921 PolarHBondContact O-OG1 3.2Å; D918-C922 WeakPolarHBondContact O-CA 3.3Å; D918-C922 WeakPolarHBondContact O-CB 3.49Å; D918-C922 PolarHBondContact O-N 2.92Å; D918-C922 PolarHBondContact O-SG 3.21Å
919	A	77.8	Confident	63.8	Low	24 Å²	24	76.4 Å²	76.4	20%	0.198	42%	0.422	C	S	.	.	H	α-helix	trans	-67	-18.5	173.7	0	0	0	0	0	114.8	L831 A915 S917	L831-A919 HydrophobicContact CD1-CB 3.97Å; L831-A919 HydrophobicContact CD2-CB 4.07Å; A915-A919 WeakPolarHBondContact O-CB 3.47Å; A915-A919 PolarHBondContact O-N 3.48Å; S917-A919 VanDerWaalsContact C-N 3.34Å; S917-A919 PolarHBondContact O-N 3.32Å
920	L	75.6	Confident	60.9	Low	64 Å²	64	83.4 Å²	83.4	34%	0.335	46%	0.459	S	S	.	.	H	α-helix	trans	-97.9	-21.8	176.8	-73.6	169.9	0	0	0	113.1	P885 L889 L916 S917 D918	P885-L920 HydrophobicContact CB-CD1 4.45Å; P885-L920 HydrophobicContact CB-CD2 4.31Å; L889-L920 HydrophobicContact CD2-CD1 3.85Å; L916-L920 WeakPolarHBondContact O-CB 3.37Å; L916-L920 WeakPolarHBondContact O-CD1 3.48Å; L916-L920 WeakPolarHBondContact O-CG 3.4Å; L916-L920 PolarHBondContact O-N 2.68Å; S917-L920 CarbonylContact O-C 3.51Å; S917-L920 WeakPolarHBondContact O-CA 3.36Å; S917-L920 PolarHBondContact O-N 2.81Å; D918-L920 PolarHBondContact O-N 3.15Å
921	T	67.3	Low	58	Low	92 Å²	92	86.4 Å²	86.4	56%	0.564	48%	0.478	S	S	*	.	H	α-helix	trans	-96.1	-35.1	175	54.6	0	0	0	0	113	S917 D918 Q923	S917-T921 PolarHBondContact O-N 3.22Å; S917-T921 PolarHBondContact O-OG1 3.07Å; S917-T921 VanDerWaalsContact O-OG1 3.09Å; D918-T921 PolarHBondContact O-N 2.98Å; D918-T921 PolarHBondContact O-OG1 3.2Å; T921-Q923 PolarHBondContact O-N 3.49Å; T921-Q923 VanDerWaalsContact O-N 3.08Å
922	C	51.2	Low	55.1	Low	87 Å²	87	88.2 Å²	88.2	59%	0.588	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	27.8	179.5	-57.3	0	0	0	0	113.1	D918 L924	D918-C922 WeakPolarHBondContact O-CA 3.3Å; D918-C922 WeakPolarHBondContact O-CB 3.49Å; D918-C922 PolarHBondContact O-N 2.92Å; D918-C922 PolarHBondContact O-SG 3.21Å; C922-L924 PolarHBondContact O-N 3.35Å
923	Q	48.8	Very low	52.2	Low	88 Å²	88	98 Å²	98	41%	0.411	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	7.2	157.5	-68.2	-164.3	-28.5	0	0	112.3	T921 L941	T921-Q923 PolarHBondContact O-N 3.49Å; T921-Q923 VanDerWaalsContact O-N 3.08Å; Q923-L941 VanDerWaalsContact OE1-CD1 3.26Å
924	L	30.2	Very low	49.2	Very low	63 Å²	63	104.8 Å²	104.8	33%	0.33	57%	0.571	S	S	.	*	S	Bend	trans	-106.2	138	161.4	-74.7	76.1	0	0	0	109.9	C922 F939	C922-L924 PolarHBondContact O-N 3.35Å; L924-F939 HydrophobicContact CD1-CE1 3.85Å; L924-F939 HydrophobicContact CD1-CZ 4.3Å; L924-F939 HydrophobicContact CD2-CE1 4.46Å; L924-F939 HydrophobicContact CD2-CZ 4.2Å; L924-F939 HydrophobicContact CG-CE1 4.08Å; L924-F939 HydrophobicContact CG-CZ 4.01Å
925	F	25.4	Very low	46.5	Very low	186 Å²	186	106 Å²	106	82%	0.816	58%	0.584	S	S	*	*	S	Bend	trans	76.9	128	170	-52.8	-75	0	0	0	119.3
926	S	25.9	Very low	43.8	Very low	106 Å²	106	109.4 Å²	109.4	74%	0.741	60%	0.601	S	S	*	*			trans	68.2	137.7	173.2	76.9	0	0	0	0	115.5
927	N	25.5	Very low	41	Very low	151 Å²	151	116.8 Å²	116.8	81%	0.807	64%	0.641	S	S	*	*			cis	-136.3	118.9	16.5	-65.6	-83	0	0	0	113.3
928	T	27	Very low	38.4	Very low	139 Å²	139	120.7 Å²	120.7	85%	0.853	66%	0.659	S	S	*	*			trans	-145.7	121.6	154.8	40.8	0	0	0	0	109.6
929	P	27.5	Very low	35.9	Very low	118 Å²	118	122.9 Å²	122.9	77%	0.766	67%	0.666	S	S	*	*			trans	-87.8	125.3	177.7	32.4	-31.3	0	0	0	112
930	N	26.2	Very low	33.8	Very low	147 Å²	147	127.3 Å²	127.3	79%	0.786	69%	0.69	S	S	*	*	S	Bend	trans	65.8	140.6	158.7	-60.1	-12.9	0	0	0	120
931	N	25.6	Very low	31.7	Very low	149 Å²	149	129 Å²	129	80%	0.797	70%	0.699	S	S	*	*			trans	81	147.8	160.4	-59.5	-5.4	0	0	0	119.4
932	D	26.7	Very low	29.9	Very low	158 Å²	158	129 Å²	129	85%	0.845	69%	0.691	S	S	*	*			trans	65.1	124.7	171.4	-58.1	-21.1	0	0	0	120.1
933	K	25.7	Very low	28.9	Very low	208 Å²	208	131 Å²	131	90%	0.904	70%	0.695	S	S	*	*			trans	-64.9	130.3	179.6	-64	170.8	174.7	178	0	111.1
934	L	26	Very low	28	Very low	157 Å²	157	131.7 Å²	131.7	82%	0.822	70%	0.7	S	S	*	*			trans	-154.2	135.1	150.5	-125.5	126.7	0	0	0	111	V936	L934-V936 PolarHBondContact O-N 2.95Å
935	D	29	Very low	28	Very low	156 Å²	156	132.3 Å²	132.3	83%	0.834	71%	0.71	S	S	*	*			trans	-68.7	121.9	173.7	-70.2	-63.7	0	0	0	110.3
936	V	28.3	Very low	28.2	Very low	103 Å²	103	133.1 Å²	133.1	62%	0.624	71%	0.709	S	S	*	*			trans	-133.9	77.5	176.7	-170.2	0	0	0	0	110.7	L934 N938	L934-V936 PolarHBondContact O-N 2.95Å; V936-N938 HydrophobicContact CG1-CB 4.28Å; V936-N938 WeakPolarHBondContact CG1-ND2 3.31Å; V936-N938 PolarHBondContact O-N 3.4Å; V936-N938 VanDerWaalsContact O-N 3.13Å
937	N	26.9	Very low	28.3	Very low	155 Å²	155	134.3 Å²	134.3	83%	0.829	71%	0.706	S	S	*	*			trans	-70.4	99.8	165.7	-72.5	-39.3	0	0	0	109.7
938	N	28.2	Very low	28.4	Very low	121 Å²	121	131.5 Å²	131.5	65%	0.647	70%	0.698	S	S	*	*			trans	-144	92.3	175.6	-92.2	-49.8	0	0	0	110.7	V936	V936-N938 HydrophobicContact CG1-CB 4.28Å; V936-N938 WeakPolarHBondContact CG1-ND2 3.31Å; V936-N938 PolarHBondContact O-N 3.4Å; V936-N938 VanDerWaalsContact O-N 3.13Å
939	F	29.2	Very low	28.2	Very low	109 Å²	109	132 Å²	132	48%	0.478	70%	0.696	S	S	.	*			trans	-133.9	44.6	-178.7	-97.9	-60.6	0	0	0	115	L924 L941 K942	L924-F939 HydrophobicContact CD1-CE1 3.85Å; L924-F939 HydrophobicContact CD1-CZ 4.3Å; L924-F939 HydrophobicContact CD2-CE1 4.46Å; L924-F939 HydrophobicContact CD2-CZ 4.2Å; L924-F939 HydrophobicContact CG-CE1 4.08Å; L924-F939 HydrophobicContact CG-CZ 4.01Å; F939-L941 PolarHBondContact O-N 3.1Å; F939-K942 HydrophobicContact CB-CD 4.46Å; F939-K942 HydrophobicContact CD1-CB 4.39Å; F939-K942 HydrophobicContact CD1-CD 3.55Å; F939-K942 HydrophobicContact CD1-CG 3.75Å; F939-K942 HydrophobicContact CD2-CD 4.48Å; F939-K942 HydrophobicContact CE1-CD 3.89Å; F939-K942 VanDerWaalsContact CE1-CE 3.49Å; F939-K942 HydrophobicContact CE1-CG 4.19Å; F939-K942 HydrophobicContact CG-CD 3.91Å; F939-K942 HydrophobicContact CG-CG 4.44Å; F939-K942 HydrophobicContact CZ-CD 4.48Å; F939-K942 PolarHBondContact O-N 2.72Å
940	V	33.1	Very low	28.2	Very low	116 Å²	116	132.9 Å²	132.9	70%	0.703	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	8.4	179.3	-174.4	0	0	0	0	114.5
941	L	31.8	Very low	28.2	Very low	101 Å²	101	134.5 Å²	134.5	53%	0.529	70%	0.702	S	S	.	*	T	Hydrogen-bonded Turn	trans	-129.3	-0.4	-177.2	-78.8	169.4	0	0	0	115.4	Q923 F939	Q923-L941 VanDerWaalsContact OE1-CD1 3.26Å; F939-L941 PolarHBondContact O-N 3.1Å
942	K	29.4	Very low	28.2	Very low	92 Å²	92	132.7 Å²	132.7	40%	0.4	70%	0.701	S	S	.	*	S	Bend	trans	-80.9	-40.8	-179.6	-98.4	178.8	178.4	163.6	0	113.9	F939 M944 S945	F939-K942 HydrophobicContact CB-CD 4.46Å; F939-K942 HydrophobicContact CD1-CB 4.39Å; F939-K942 HydrophobicContact CD1-CD 3.55Å; F939-K942 HydrophobicContact CD1-CG 3.75Å; F939-K942 HydrophobicContact CD2-CD 4.48Å; F939-K942 HydrophobicContact CE1-CD 3.89Å; F939-K942 VanDerWaalsContact CE1-CE 3.49Å; F939-K942 HydrophobicContact CE1-CG 4.19Å; F939-K942 HydrophobicContact CG-CD 3.91Å; F939-K942 HydrophobicContact CG-CG 4.44Å; F939-K942 HydrophobicContact CZ-CD 4.48Å; F939-K942 PolarHBondContact O-N 2.72Å; K942-M944 VanDerWaalsContact C-N 3.29Å; K942-M944 PolarHBondContact O-N 3.05Å; K942-S945 WeakPolarHBondContact O-CB 3.48Å; K942-S945 PolarHBondContact O-N 3.12Å; K942-S945 PolarHBondContact O-OG 2.8Å
943	D	29.6	Very low	28.3	Very low	127 Å²	127	131.9 Å²	131.9	68%	0.679	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-71.8	-23.5	-163.1	-49.6	-35.8	0	0	0	113.7	S945	D943-S945 PolarHBondContact O-N 2.84Å; D943-S945 VanDerWaalsContact O-N 3.15Å
944	M	30.9	Very low	28.2	Very low	103 Å²	103	130.4 Å²	130.4	51%	0.507	70%	0.698	S	S	.	*	G	3₁₀ helix	trans	-73.9	1.8	176.8	-63.6	-56.7	-166	0	0	114.4	K942 I1070	K942-M944 VanDerWaalsContact C-N 3.29Å; K942-M944 PolarHBondContact O-N 3.05Å; M944-I1070 HydrophobicContact CE-CG2 3.57Å
945	S	30.3	Very low	28.2	Very low	76 Å²	76	129.6 Å²	129.6	53%	0.531	69%	0.694	S	S	.	*	G	3₁₀ helix	trans	-80.9	-22.1	180	58.7	0	0	0	0	114.5	K942 D943	K942-S945 WeakPolarHBondContact O-CB 3.48Å; K942-S945 PolarHBondContact O-N 3.12Å; K942-S945 PolarHBondContact O-OG 2.8Å; D943-S945 PolarHBondContact O-N 2.84Å; D943-S945 VanDerWaalsContact O-N 3.15Å
946	Y	30.2	Very low	28.1	Very low	203 Å²	203	128.1 Å²	128.1	80%	0.796	69%	0.686	S	S	*	*	S	Bend	trans	-95.3	-18.8	-171	-73.1	-80	0	0	0	115.6	S948	Y946-S948 PolarHBondContact O-N 3.38Å; Y946-S948 VanDerWaalsContact O-N 3.16Å
947	L	28	Very low	28.1	Very low	131 Å²	131	134.3 Å²	134.3	69%	0.686	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	21	-173.7	-72.6	165.9	0	0	0	115
948	S	25.9	Very low	28.2	Very low	93 Å²	93	135.3 Å²	135.3	65%	0.65	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-10.8	-179.8	-69	0	0	0	0	115.3	Y946	Y946-S948 PolarHBondContact O-N 3.38Å; Y946-S948 VanDerWaalsContact O-N 3.16Å
949	N	24.6	Very low	28	Very low	150 Å²	150	134.6 Å²	134.6	80%	0.802	70%	0.704	S	S	*	*			trans	-129.9	107.4	-179	-79.4	-15.5	0	0	0	111.4
950	T	27.3	Very low	27.9	Very low	135 Å²	135	137.6 Å²	137.6	83%	0.828	72%	0.724	S	S	*	*			trans	-135.2	59.4	168.4	44.9	0	0	0	0	111.9
951	Q	26.6	Very low	27.4	Very low	182 Å²	182	136.2 Å²	136.2	85%	0.85	72%	0.72	S	S	*	*	S	Bend	trans	-82.6	121.7	146.2	-76.6	-175.3	-67.3	0	0	108.2
952	S	25	Very low	27.3	Very low	111 Å²	111	142 Å²	142	78%	0.776	74%	0.736	S	S	*	*			trans	36.2	93.9	153	59	0	0	0	0	118.4
953	V	28.6	Very low	27.2	Very low	140 Å²	140	143.3 Å²	143.3	85%	0.848	75%	0.752	S	S	*	*			trans	-135	85.4	147.2	-173.4	0	0	0	0	108.6
954	E	24.4	Very low	27.1	Very low	178 Å²	178	142.8 Å²	142.8	83%	0.832	76%	0.756	S	S	*	*			trans	-97.4	176.8	151	-70	-176.5	132.6	0	0	108.2
955	N	25.4	Very low	27.1	Very low	140 Å²	140	143.8 Å²	143.8	75%	0.749	77%	0.773	S	S	*	*			trans	75.8	120.1	-160.8	-47.4	-41.7	0	0	0	111.8
956	N	26	Very low	26.9	Very low	125 Å²	125	146.9 Å²	146.9	67%	0.668	79%	0.789	S	S	*	*			cis	-144.6	153.3	0.3	-69.3	-57.4	0	0	0	109.7
957	Y	29.4	Very low	26.8	Very low	233 Å²	233	141.2 Å²	141.2	91%	0.914	78%	0.779	S	S	*	*				-169.4	126.1	113.4	-99.5	-64.9	0	0	0	109.7
958	Q	27.8	Very low	27	Very low	176 Å²	176	145 Å²	145	82%	0.822	79%	0.786	S	S	*	*			trans	-83	141.8	-172.6	-75.3	168.5	-64.4	0	0	112.7
959	S	23.8	Very low	27.2	Very low	105 Å²	105	146.7 Å²	146.7	73%	0.734	79%	0.786	S	S	*	*			trans	0.6	120.4	151.7	56.6	0	0	0	0	118.2
960	L	27.1	Very low	27.7	Very low	173 Å²	173	146.4 Å²	146.4	91%	0.906	78%	0.779	S	S	*	*			trans	-141.4	96.8	144.9	-111	158.6	0	0	0	109.4
961	S	23.1	Very low	27.9	Very low	87 Å²	87	145.5 Å²	145.5	61%	0.608	77%	0.77	S	S	*	*			trans	-71.1	148.7	165.8	52.2	0	0	0	0	110.4
962	Y	29.8	Very low	28.2	Very low	221 Å²	221	142.6 Å²	142.6	87%	0.867	76%	0.76	S	S	*	*				-164.7	169.9	117.5	-101.8	-64.4	0	0	0	111.2
963	T	28	Very low	28.7	Very low	120 Å²	120	143.7 Å²	143.7	74%	0.736	76%	0.757	S	S	*	*			trans	-93.5	153.9	-160.3	42.6	0	0	0	0	114.5
964	P	27.7	Very low	28.9	Very low	117 Å²	117	143.3 Å²	143.3	76%	0.76	75%	0.75	S	S	*	*			trans	-79.2	149.8	175.6	33.9	-35.5	0	0	0	112.3
965	S	30.2	Very low	29.4	Very low	123 Å²	123	139.3 Å²	139.3	86%	0.86	74%	0.742	S	S	*	*			trans	-157.5	119.1	163.1	-75.8	0	0	0	0	110.2
966	T	26.1	Very low	29.6	Very low	142 Å²	142	142.5 Å²	142.5	87%	0.871	75%	0.749	S	S	*	*			trans	-99.9	140.2	179.8	-18.5	0	0	0	0	110.3
967	S	28.7	Very low	30.1	Very low	84 Å²	84	141.8 Å²	141.8	59%	0.587	75%	0.751	S	S	*	*			trans	179.8	145.8	140.5	55.9	0	0	0	0	113.7
968	Y	31.4	Very low	30.1	Very low	211 Å²	211	137.6 Å²	137.6	83%	0.827	75%	0.75	S	S	*	*			trans	71.5	141.5	155.8	-53.2	-46.4	0	0	0	119.6
969	I	30.1	Very low	30.2	Very low	128 Å²	128	137 Å²	137	66%	0.656	75%	0.751	S	S	*	*			cis	-164	164.6	-25.3	-147.4	170.7	0	0	0	109.9
970	H	35	Very low	30.5	Very low	143 Å²	143	137.5 Å²	137.5	66%	0.662	75%	0.754	S	S	*	*			trans	70.7	121.6	166.9	-74.4	-30.2	0	0	0	118.1
971	N	31.4	Very low	30.6	Very low	117 Å²	117	135.6 Å²	135.6	63%	0.626	75%	0.75	S	S	*	*				97.7	141.4	58	-83.1	47.5	0	0	0	109.9
972	D	33.5	Very low	31.1	Very low	120 Å²	120	137.1 Å²	137.1	64%	0.642	76%	0.758	S	S	*	*			cis	-155.1	164.5	-0.8	-92	-29.9	0	0	0	110.7
973	D	34.3	Very low	30.9	Very low	135 Å²	135	131.1 Å²	131.1	72%	0.722	75%	0.748	S	S	*	*			trans	57.9	159.2	142.1	-80.3	26.3	0	0	0	122.8
974	N	32.7	Very low	31	Very low	132 Å²	132	130.5 Å²	130.5	71%	0.706	74%	0.744	S	S	*	*			cis	-170	166.9	-31.4	-116	-35	0	0	0	107.9
975	S	35.1	Very low	31	Very low	93 Å²	93	133.3 Å²	133.3	65%	0.65	75%	0.747	S	S	*	*			cis	-160	130	-7.2	57.6	0	0	0	0	112.6
976	K	31.4	Very low	30.8	Very low	207 Å²	207	132.9 Å²	132.9	90%	0.9	74%	0.743	S	S	*	*			trans	64	170	146.6	-91.1	-163.3	168	174.2	0	120.5
977	P	34.8	Very low	30.9	Very low	110 Å²	110	133.9 Å²	133.9	71%	0.714	74%	0.738	S	S	*	*			trans	-133.7	169.5	-137.9	45	-30.1	0	0	0	117.6
978	T	30.9	Very low	30.9	Very low	145 Å²	145	137.1 Å²	137.1	89%	0.89	75%	0.748	S	S	*	*			trans	-143.2	152	160.9	-38.1	0	0	0	0	112.9
979	I	29.2	Very low	30.7	Very low	163 Å²	163	132.3 Å²	132.3	84%	0.836	75%	0.746	S	S	*	*			trans	-85.1	131.9	-173.3	-61.8	152.4	0	0	0	112.4
980	S	30.2	Very low	30.4	Very low	116 Å²	116	132.3 Å²	132.3	81%	0.811	76%	0.757	S	S	*	*				177.7	146.9	127.7	50.9	0	0	0	0	113.3
981	T	29	Very low	30.1	Very low	133 Å²	133	130.8 Å²	130.8	82%	0.816	76%	0.757	S	S	*	*			trans	-90.1	165.9	-179.6	46.5	0	0	0	0	113.9
982	P	32.8	Very low	29.9	Very low	119 Å²	119	130 Å²	130	77%	0.773	75%	0.753	S	S	*	*			cis	-120.3	-134.4	-6.6	25.3	1.2	0	0	0	109.3
983	S	26.5	Very low	29.7	Very low	95 Å²	95	128.7 Å²	128.7	66%	0.664	75%	0.751	S	S	*	*			cis	-170.4	161.4	1.7	51.5	0	0	0	0	112.4
984	V	29.7	Very low	29.5	Very low	108 Å²	108	129 Å²	129	66%	0.655	75%	0.748	S	S	*	*			trans	78.1	119.2	157.1	176.6	0	0	0	0	118.8
985	E	28.4	Very low	29.4	Very low	176 Å²	176	128.5 Å²	128.5	82%	0.822	74%	0.742	S	S	*	*			trans	63.2	138.8	152.9	-76.2	158	-144.3	0	0	120.8
986	C	25.5	Very low	29.1	Very low	113 Å²	113	128.7 Å²	128.7	76%	0.764	74%	0.739	S	S	*	*			cis	-159.9	-164	-12.4	-148.1	0	0	0	0	112.1
987	E	29.4	Very low	29	Very low	164 Å²	164	125.1 Å²	125.1	77%	0.766	72%	0.724	S	S	*	*			trans	83.3	81	163.9	-50.8	-154.7	156.7	0	0	119.7
988	N	27	Very low	29.1	Very low	152 Å²	152	124.1 Å²	124.1	81%	0.813	71%	0.712	S	S	*	*				57.9	92.1	119.3	-56.6	-28.7	0	0	0	120.3
989	S	27.4	Very low	29.5	Very low	110 Å²	110	120.5 Å²	120.5	77%	0.769	69%	0.69	S	S	*	*			trans	-134.5	132.3	138.8	64.4	0	0	0	0	110	V991	S989-V991 PolarHBondContact O-N 3.44Å
990	S	25.3	Very low	30.1	Very low	128 Å²	128	117.2 Å²	117.2	90%	0.895	67%	0.671	S	S	*	*			trans	-77.9	110.1	-171.5	54.6	0	0	0	0	113
991	V	28	Very low	30.7	Very low	110 Å²	110	116.8 Å²	116.8	67%	0.667	66%	0.656	S	S	*	*			trans	-94.1	139	170.4	-179.9	0	0	0	0	109.7	S989	S989-V991 PolarHBondContact O-N 3.44Å
992	N	26.8	Very low	31.3	Very low	100 Å²	100	113.9 Å²	113.9	54%	0.535	64%	0.636	S	S	.	*			trans	-76.3	132.7	-172.4	-110.6	-26.9	0	0	0	112	Q994 E995	N992-Q994 PolarHBondContact O-N 2.88Å; N992-E995 HydrophobicContact CB-CG 4.49Å; N992-E995 PolarHBondContact O-N 3.44Å
993	P	29.3	Very low	32.2	Very low	93 Å²	93	111.6 Å²	111.6	60%	0.604	62%	0.616	S	S	*	*	H	α-helix	trans	-67.6	-4	178.9	28	-35.1	0	0	0	114.4	F997	P993-F997 WeakPolarHBondContact O-CD2 3.2Å
994	Q	30.1	Very low	33.1	Very low	141 Å²	141	111.1 Å²	111.1	66%	0.659	60%	0.603	S	S	*	*	H	α-helix	trans	-82	-21.8	174.4	-65.4	-176.3	-68.8	0	0	113.7	N992 N998	N992-Q994 PolarHBondContact O-N 2.88Å; Q994-N998 PolarHBondContact O-N 2.74Å; Q994-N998 PolarHBondContact O-ND2 2.77Å
995	E	30	Very low	33.8	Very low	122 Å²	122	109.1 Å²	109.1	57%	0.57	59%	0.589	S	S	*	*	H	α-helix	trans	-78.4	-38	-176.6	-64.9	-174.3	129.3	0	0	111.8	N992	N992-E995 HydrophobicContact CB-CG 4.49Å; N992-E995 PolarHBondContact O-N 3.44Å
996	T	28.7	Very low	34.6	Very low	98 Å²	98	101.9 Å²	101.9	60%	0.601	56%	0.559	S	S	*	*	H	α-helix	trans	-70.7	-33.5	176.2	43.3	0	0	0	0	113.2	V999 Q1000	T996-V999 PolarHBondContact O-N 3.37Å; T996-Q1000 PolarHBondContact O-N 3.4Å
997	F	30.5	Very low	35.7	Very low	132 Å²	132	101 Å²	101	58%	0.579	54%	0.542	S	S	*	.	H	α-helix	trans	-61.8	-49.3	173.7	-99.8	-97.1	0	0	0	111.8	P993 V999 Q1000 E1001	P993-F997 WeakPolarHBondContact O-CD2 3.2Å; F997-V999 PolarHBondContact O-N 2.67Å; F997-Q1000 PolarHBondContact O-N 3.16Å; F997-Q1000 VanDerWaalsContact O-N 3.11Å; F997-E1001 WeakPolarHBondContact O-CG 3.23Å; F997-E1001 PolarHBondContact O-N 3.28Å
998	N	37	Very low	36.3	Very low	88 Å²	88	96.7 Å²	96.7	47%	0.471	52%	0.524	S	S	.	.	H	α-helix	trans	-54.5	-38.6	178.8	-92.3	-83.5	0	0	0	113	Q994 N1002	Q994-N998 PolarHBondContact O-N 2.74Å; Q994-N998 PolarHBondContact O-ND2 2.77Å; N998-N1002 WeakPolarHBondContact O-CB 3.44Å; N998-N1002 PolarHBondContact O-N 2.89Å; N998-N1002 PolarHBondContact O-ND2 3.45Å
999	V	39.1	Very low	37	Very low	69 Å²	69	92 Å²	92	42%	0.418	50%	0.498	S	S	.	.	H	α-helix	trans	-66.9	-43.8	179.9	176.3	0	0	0	0	111.2	T996 F997 I1003	T996-V999 PolarHBondContact O-N 3.37Å; F997-V999 PolarHBondContact O-N 2.67Å; V999-I1003 HydrophobicContact CG1-CD1 4.15Å; V999-I1003 VanDerWaalsContact O-CG1 3.28Å; V999-I1003 WeakPolarHBondContact O-CG1 3.45Å; V999-I1003 PolarHBondContact O-N 2.82Å; V999-I1003 VanDerWaalsContact O-N 3.16Å
1000	Q	41.4	Very low	37.7	Very low	95 Å²	95	95.3 Å²	95.3	44%	0.444	50%	0.499	S	S	.	.	H	α-helix	trans	-69.8	-39.4	178.4	-171.9	63.3	29.8	0	0	111.9	T996 F997 I1003 E1004	T996-Q1000 PolarHBondContact O-N 3.4Å; F997-Q1000 PolarHBondContact O-N 3.16Å; F997-Q1000 VanDerWaalsContact O-N 3.11Å; Q1000-I1003 WeakPolarHBondContact O-CB 3.44Å; Q1000-I1003 PolarHBondContact O-N 3.2Å; Q1000-I1003 VanDerWaalsContact O-N 3.16Å; Q1000-E1004 PolarHBondContact NE2-OE1 2.84Å; Q1000-E1004 PolarHBondContact O-N 3.33Å
1001	E	42	Very low	38.5	Very low	106 Å²	106	96.1 Å²	96.1	50%	0.495	48%	0.483	S	S	.	.	H	α-helix	trans	-61.9	-43.7	177.1	-72.4	167.3	170.3	0	0	111.5	F997 I1003 E1004 L1005	F997-E1001 WeakPolarHBondContact O-CG 3.23Å; F997-E1001 PolarHBondContact O-N 3.28Å; E1001-I1003 VanDerWaalsContact C-N 3.31Å; E1001-I1003 PolarHBondContact O-N 3.37Å; E1001-E1004 PolarHBondContact O-N 2.97Å; E1001-L1005 WeakPolarHBondContact O-CB 3.36Å; E1001-L1005 PolarHBondContact O-N 2.89Å
1002	N	43.2	Very low	39	Very low	73 Å²	73	96 Å²	96	39%	0.39	48%	0.478	S	S	.	.	H	α-helix	trans	-64.2	-33.4	173.8	-79.8	-68.8	0	0	0	112.8	N998 L1005 A1006	N998-N1002 WeakPolarHBondContact O-CB 3.44Å; N998-N1002 PolarHBondContact O-N 2.89Å; N998-N1002 PolarHBondContact O-ND2 3.45Å; N1002-L1005 PolarHBondContact O-N 3.15Å; N1002-A1006 VanDerWaalsContact O-CB 3.27Å; N1002-A1006 WeakPolarHBondContact O-CB 3.5Å; N1002-A1006 PolarHBondContact O-N 3.41Å
1003	I	50.4	Low	39.7	Very low	70 Å²	70	96.6 Å²	96.6	36%	0.359	48%	0.48	S	S	.	.	H	α-helix	trans	-68.1	-42.3	174.4	-70.6	169	0	0	0	111.5	V999 Q1000 E1001 A1006 K1007	V999-I1003 HydrophobicContact CG1-CD1 4.15Å; V999-I1003 VanDerWaalsContact O-CG1 3.28Å; V999-I1003 WeakPolarHBondContact O-CG1 3.45Å; V999-I1003 PolarHBondContact O-N 2.82Å; V999-I1003 VanDerWaalsContact O-N 3.16Å; Q1000-I1003 WeakPolarHBondContact O-CB 3.44Å; Q1000-I1003 PolarHBondContact O-N 3.2Å; Q1000-I1003 VanDerWaalsContact O-N 3.16Å; E1001-I1003 VanDerWaalsContact C-N 3.31Å; E1001-I1003 PolarHBondContact O-N 3.37Å; I1003-A1006 PolarHBondContact O-N 3.09Å; I1003-K1007 HydrophobicContact CG2-CD 4.43Å; I1003-K1007 WeakPolarHBondContact O-CG 3.29Å; I1003-K1007 PolarHBondContact O-N 3.37Å
1004	E	46.1	Very low	40	Very low	85 Å²	85	95.6 Å²	95.6	40%	0.397	47%	0.474	S	S	.	.	H	α-helix	trans	-67.9	-37.7	173.5	-62.1	-47.3	139.1	0	0	112.2	Q1000 E1001 A1006 K1007 L1008	Q1000-E1004 PolarHBondContact NE2-OE1 2.84Å; Q1000-E1004 PolarHBondContact O-N 3.33Å; E1001-E1004 PolarHBondContact O-N 2.97Å; E1004-A1006 VanDerWaalsContact C-N 3.35Å; E1004-A1006 PolarHBondContact O-N 3.1Å; E1004-K1007 VanDerWaalsContact CD-NZ 3.27Å; E1004-K1007 WeakPolarHBondContact O-CB 3.38Å; E1004-K1007 PolarHBondContact O-N 3.25Å; E1004-K1007 IonicContact OE1-NZ 3.92Å; E1004-K1007 PolarHBondContact OE1-NZ 3.14Å; E1004-K1007 WeakPolarHBondContact OE2-CD 3.47Å; E1004-K1007 IonicContact OE2-NZ 3.49Å; E1004-K1007 PolarHBondContact OE2-NZ 3.04Å; E1004-L1008 WeakPolarHBondContact O-CB 3.43Å; E1004-L1008 PolarHBondContact O-N 2.74Å
1005	L	43.8	Very low	40.1	Very low	66 Å²	66	93.8 Å²	93.8	35%	0.346	47%	0.474	S	S	.	.	H	α-helix	trans	-65	-38	175.2	-153.8	79	0	0	0	111.9	E1001 N1002 L1008 M1009 I1038	E1001-L1005 WeakPolarHBondContact O-CB 3.36Å; E1001-L1005 PolarHBondContact O-N 2.89Å; N1002-L1005 PolarHBondContact O-N 3.15Å; L1005-L1008 WeakPolarHBondContact O-CB 3.3Å; L1005-L1008 PolarHBondContact O-N 3.38Å; L1005-M1009 WeakPolarHBondContact O-CG 3.3Å; L1005-M1009 PolarHBondContact O-N 2.83Å; L1005-I1038 HydrophobicContact CD2-CD1 3.66Å
1006	A	44.9	Very low	40	Very low	25 Å²	25	93.2 Å²	93.2	21%	0.207	47%	0.474	C	S	.	.	H	α-helix	trans	-66.1	-41.6	174.2	0	0	0	0	0	112.3	N1002 I1003 E1004 K1010 W1031	N1002-A1006 VanDerWaalsContact O-CB 3.27Å; N1002-A1006 WeakPolarHBondContact O-CB 3.5Å; N1002-A1006 PolarHBondContact O-N 3.41Å; I1003-A1006 PolarHBondContact O-N 3.09Å; E1004-A1006 VanDerWaalsContact C-N 3.35Å; E1004-A1006 PolarHBondContact O-N 3.1Å; A1006-K1010 PolarHBondContact O-N 3.34Å; A1006-W1031 HydrophobicContact CB-CD2 4.43Å; A1006-W1031 HydrophobicContact CB-CE3 3.5Å; A1006-W1031 HydrophobicContact CB-CZ3 3.72Å
1007	K	50	Low	39.9	Very low	93 Å²	93	95 Å²	95	40%	0.404	47%	0.474	S	S	.	.	H	α-helix	trans	-60.3	-46.3	170.2	-70.3	162.5	-179.1	175.8	0	110.6	I1003 E1004 M1009 K1010 Y1011	I1003-K1007 HydrophobicContact CG2-CD 4.43Å; I1003-K1007 WeakPolarHBondContact O-CG 3.29Å; I1003-K1007 PolarHBondContact O-N 3.37Å; E1004-K1007 VanDerWaalsContact CD-NZ 3.27Å; E1004-K1007 WeakPolarHBondContact O-CB 3.38Å; E1004-K1007 PolarHBondContact O-N 3.25Å; E1004-K1007 IonicContact OE1-NZ 3.92Å; E1004-K1007 PolarHBondContact OE1-NZ 3.14Å; E1004-K1007 WeakPolarHBondContact OE2-CD 3.47Å; E1004-K1007 IonicContact OE2-NZ 3.49Å; E1004-K1007 PolarHBondContact OE2-NZ 3.04Å; K1007-M1009 PolarHBondContact O-N 3.13Å; K1007-K1010 VanDerWaalsContact O-CB 3.29Å; K1007-K1010 WeakPolarHBondContact O-CB 3.08Å; K1007-K1010 PolarHBondContact O-N 3.11Å; K1007-K1010 VanDerWaalsContact O-N 3.13Å; K1007-Y1011 WeakPolarHBondContact O-CD2 3.46Å; K1007-Y1011 PolarHBondContact O-N 3.47Å
1008	L	40.5	Very low	39.8	Very low	74 Å²	74	94.2 Å²	94.2	39%	0.387	48%	0.483	S	S	.	.	H	α-helix	trans	-60.5	-45.3	179.8	-163.6	78.4	0	0	0	111.8	E1004 L1005 K1010 Y1011 I1012	E1004-L1008 WeakPolarHBondContact O-CB 3.43Å; E1004-L1008 PolarHBondContact O-N 2.74Å; L1005-L1008 WeakPolarHBondContact O-CB 3.3Å; L1005-L1008 PolarHBondContact O-N 3.38Å; L1008-K1010 VanDerWaalsContact C-N 3.27Å; L1008-K1010 PolarHBondContact O-N 3.24Å; L1008-Y1011 CarbonylContact O-C 3.49Å; L1008-Y1011 WeakPolarHBondContact O-CA 3.49Å; L1008-Y1011 PolarHBondContact O-N 3.18Å; L1008-I1012 HydrophobicContact CD2-CD1 3.98Å; L1008-I1012 HydrophobicContact CG-CD1 3.77Å; L1008-I1012 WeakPolarHBondContact O-CG1 3.47Å; L1008-I1012 PolarHBondContact O-N 2.79Å
1009	M	41.8	Very low	39.4	Very low	54 Å²	54	100.7 Å²	100.7	27%	0.266	50%	0.502	S	S	.	.	H	α-helix	trans	-55	-41.8	173.3	-83.5	-70.5	175.9	0	0	112.3	L1005 K1007 Y1011 I1012 L1013	L1005-M1009 WeakPolarHBondContact O-CG 3.3Å; L1005-M1009 PolarHBondContact O-N 2.83Å; K1007-M1009 PolarHBondContact O-N 3.13Å; M1009-Y1011 PolarHBondContact O-N 3.37Å; M1009-I1012 PolarHBondContact O-N 3.13Å; M1009-I1012 VanDerWaalsContact O-N 3.1Å; M1009-L1013 PolarHBondContact O-N 3.41Å; M1009-L1013 VanDerWaalsContact O-N 3.15Å; M1009-L1013 HydrophobicContact SD-CD1 3.73Å
1010	K	43	Very low	38.8	Very low	180 Å²	180	102.6 Å²	102.6	78%	0.783	52%	0.515	S	S	*	.	H	α-helix	trans	-64.2	-18.4	176.3	-161.6	174	-176.7	173.2	0	113.7	A1006 K1007 L1008	A1006-K1010 PolarHBondContact O-N 3.34Å; K1007-K1010 VanDerWaalsContact O-CB 3.29Å; K1007-K1010 WeakPolarHBondContact O-CB 3.08Å; K1007-K1010 PolarHBondContact O-N 3.11Å; K1007-K1010 VanDerWaalsContact O-N 3.13Å; L1008-K1010 VanDerWaalsContact C-N 3.27Å; L1008-K1010 PolarHBondContact O-N 3.24Å
1011	Y	41.4	Very low	38.3	Very low	145 Å²	145	104.8 Å²	104.8	57%	0.569	53%	0.53	S	S	*	.	H	α-helix	trans	-101.8	-8.8	173.3	-63.4	-65.2	0	0	0	114.4	Y849 K1007 L1008 M1009	Y849-Y1011 PolarHBondContact OH-O 3Å; K1007-Y1011 WeakPolarHBondContact O-CD2 3.46Å; K1007-Y1011 PolarHBondContact O-N 3.47Å; L1008-Y1011 CarbonylContact O-C 3.49Å; L1008-Y1011 WeakPolarHBondContact O-CA 3.49Å; L1008-Y1011 PolarHBondContact O-N 3.18Å; M1009-Y1011 PolarHBondContact O-N 3.37Å
1012	I	39.2	Very low	37.7	Very low	108 Å²	108	109.6 Å²	109.6	55%	0.554	55%	0.553	S	S	*	*	H	α-helix	trans	-99.4	-38.2	-178.1	-72.1	173.9	0	0	0	112.2	L1008 M1009	L1008-I1012 HydrophobicContact CD2-CD1 3.98Å; L1008-I1012 HydrophobicContact CG-CD1 3.77Å; L1008-I1012 WeakPolarHBondContact O-CG1 3.47Å; L1008-I1012 PolarHBondContact O-N 2.79Å; M1009-I1012 PolarHBondContact O-N 3.13Å; M1009-I1012 VanDerWaalsContact O-N 3.1Å
1013	L	40.8	Very low	37.2	Very low	112 Å²	112	113.7 Å²	113.7	59%	0.586	57%	0.574	S	S	*	*	S	Bend	trans	-78.8	127.8	179.2	-83.5	81.5	0	0	0	112.4	M1009	M1009-L1013 PolarHBondContact O-N 3.41Å; M1009-L1013 VanDerWaalsContact O-N 3.15Å; M1009-L1013 HydrophobicContact SD-CD1 3.73Å
1014	P	35.9	Very low	36.2	Very low	72 Å²	72	117.9 Å²	117.9	47%	0.468	60%	0.596	S	S	.	*			trans	-83.6	126.4	171	32.2	-31.6	0	0	0	111.4	L1016	P1014-L1016 HydrophobicContact CB-CG 4.41Å; P1014-L1016 HydrophobicContact CG-CD1 4.3Å; P1014-L1016 HydrophobicContact CG-CG 4.49Å; P1014-L1016 PolarHBondContact O-N 3.5Å
1015	P	31.8	Very low	35.4	Very low	103 Å²	103	120 Å²	120	67%	0.669	62%	0.615	S	S	*	*			trans	-72.2	99.2	170.7	28.8	-32.8	0	0	0	109.8	R859	R859-P1015 PolarHBondContact NH2-O 3.09Å
1016	L	28.3	Very low	34.8	Very low	109 Å²	109	124.7 Å²	124.7	57%	0.571	63%	0.633	S	S	*	*			trans	-98.2	-10.7	178.9	-78.4	172.1	0	0	0	114.2	P1014	P1014-L1016 HydrophobicContact CB-CG 4.41Å; P1014-L1016 HydrophobicContact CG-CD1 4.3Å; P1014-L1016 HydrophobicContact CG-CG 4.49Å; P1014-L1016 PolarHBondContact O-N 3.5Å
1017	F	27	Very low	34.3	Very low	136 Å²	136	127.7 Å²	127.7	60%	0.596	65%	0.646	S	S	*	*	S	Bend	trans	-132.7	147.9	172.1	-68.8	-87.2	0	0	0	111.1	Y1063	F1017-Y1063 AromaticContact CE2-CE2 3.49Å; F1017-Y1063 HydrophobicContact CE2-CE2 3.49Å; F1017-Y1063 VanDerWaalsContact CE2-CE2 3.49Å; F1017-Y1063 AromaticContact CE2-CZ 3.78Å; F1017-Y1063 WeakPolarHBondContact CE2-OH 3.18Å; F1017-Y1063 AromaticContact CZ-CE2 3.75Å; F1017-Y1063 HydrophobicContact CZ-CE2 3.75Å; F1017-Y1063 WeakPolarHBondContact CZ-OH 3.14Å
1018	P	28.4	Very low	33.7	Very low	116 Å²	116	128.4 Å²	128.4	75%	0.753	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-73.3	133.6	161	32.2	-31.1	0	0	0	109.1
1019	Y	28.4	Very low	33.8	Very low	224 Å²	224	128.8 Å²	128.8	88%	0.878	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-74.5	126.9	166.8	-82.8	-90	0	0	0	109.1
1020	P	26.3	Very low	33.8	Very low	108 Å²	108	131.6 Å²	131.6	70%	0.701	68%	0.681	S	S	*	*	S	Bend	trans	-72.5	145.6	164.9	30.7	-31.9	0	0	0	110.1
1021	N	30.8	Very low	33.7	Very low	141 Å²	141	128.7 Å²	128.7	75%	0.754	67%	0.665	S	S	*	*			trans	86.4	105.8	179.3	-50.4	-22.7	0	0	0	116	L1023	N1021-L1023 PolarHBondContact O-N 3.08Å
1022	E	30.4	Very low	33.4	Very low	207 Å²	207	125 Å²	125	97%	0.967	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	32.4	-177.7	-56.9	178.8	120.9	0	0	113.8
1023	L	31.4	Very low	33.4	Very low	159 Å²	159	122 Å²	122	83%	0.832	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.7	6.5	-165.9	-81.4	167.4	0	0	0	115.8	N1021	N1021-L1023 PolarHBondContact O-N 3.08Å
1024	L	29.8	Very low	33.4	Very low	159 Å²	159	124.1 Å²	124.1	83%	0.832	66%	0.66	S	S	*	*			trans	-113.6	89.3	174.1	-82.3	164.1	0	0	0	111.2	F1026	L1024-F1026 PolarHBondContact O-N 2.85Å
1025	T	30.6	Very low	33.4	Very low	130 Å²	130	123.3 Å²	123.3	80%	0.798	65%	0.651	S	S	*	*			trans	-69.1	91.8	171	32.9	0	0	0	0	111.1	N1027	T1025-N1027 PolarHBondContact O-N 3.38Å; T1025-N1027 VanDerWaalsContact O-N 3.14Å
1026	F	30.2	Very low	33.7	Very low	164 Å²	164	121.4 Å²	121.4	72%	0.719	63%	0.633	S	S	*	*			trans	-52.3	112.2	174.6	-98.2	-97.1	0	0	0	112.3	L1024 W1031	L1024-F1026 PolarHBondContact O-N 2.85Å; F1026-W1031 HydrophobicContact CE1-CZ2 4.4Å
1027	N	35.3	Very low	34.2	Very low	88 Å²	88	121.4 Å²	121.4	47%	0.471	63%	0.626	S	S	.	*			trans	-97	121.5	174.8	-102	-35.9	0	0	0	110.8	T1025 S1029 E1030	T1025-N1027 PolarHBondContact O-N 3.38Å; T1025-N1027 VanDerWaalsContact O-N 3.14Å; N1027-S1029 PolarHBondContact O-N 3.32Å; N1027-E1030 HydrophobicContact CB-CG 4.29Å; N1027-E1030 PolarHBondContact O-N 2.78Å
1028	P	37.5	Very low	34.9	Very low	108 Å²	108	117.8 Å²	117.8	70%	0.701	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-59.8	-20.5	178.4	-25.2	35	0	0	0	114.6	E1030 W1031	P1028-E1030 VanDerWaalsContact C-N 3.29Å; P1028-E1030 PolarHBondContact O-N 3.08Å; P1028-W1031 PolarHBondContact O-N 3.41Å
1029	S	41.9	Very low	35.5	Very low	82 Å²	82	116.1 Å²	116.1	57%	0.573	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-73	-11.3	178.9	44	0	0	0	0	114.8	N1027 W1031 S1032	N1027-S1029 PolarHBondContact O-N 3.32Å; S1029-W1031 VanDerWaalsContact C-N 3.32Å; S1029-S1032 PolarHBondContact O-OG 2.8Å; S1029-S1032 VanDerWaalsContact O-OG 3.11Å
1030	E	40.6	Very low	35.9	Very low	113 Å²	113	113.1 Å²	113.1	53%	0.528	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-74.9	-27.8	174.3	-64.4	175.3	158.4	0	0	111.4	N1027 P1028 S1032 S1033	N1027-E1030 HydrophobicContact CB-CG 4.29Å; N1027-E1030 PolarHBondContact O-N 2.78Å; P1028-E1030 VanDerWaalsContact C-N 3.29Å; P1028-E1030 PolarHBondContact O-N 3.08Å; E1030-S1032 PolarHBondContact O-N 3.36Å; E1030-S1033 PolarHBondContact O-N 2.86Å; E1030-S1033 PolarHBondContact O-OG 2.9Å
1031	W	40.8	Very low	36.4	Very low	119 Å²	119	113.7 Å²	113.7	45%	0.451	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.8	-13.9	-173.5	-69	46.9	0	0	0	113.6	A1006 F1026 P1028 S1029 S1033	A1006-W1031 HydrophobicContact CB-CD2 4.43Å; A1006-W1031 HydrophobicContact CB-CE3 3.5Å; A1006-W1031 HydrophobicContact CB-CZ3 3.72Å; F1026-W1031 HydrophobicContact CE1-CZ2 4.4Å; P1028-W1031 PolarHBondContact O-N 3.41Å; S1029-W1031 VanDerWaalsContact C-N 3.32Å; W1031-S1033 VanDerWaalsContact C-N 3.27Å; W1031-S1033 PolarHBondContact O-N 2.82Å
1032	S	37	Very low	36.5	Very low	67 Å²	67	109.6 Å²	109.6	47%	0.469	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.5	4.3	174.9	55.2	0	0	0	0	113.7	S1029 E1030	S1029-S1032 PolarHBondContact O-OG 2.8Å; S1029-S1032 VanDerWaalsContact O-OG 3.11Å; E1030-S1032 PolarHBondContact O-N 3.36Å
1033	S	37.4	Very low	36.9	Very low	46 Å²	46	104.4 Å²	104.4	32%	0.322	53%	0.531	S	S	.	.			trans	-83.9	128.8	-179.2	61.9	0	0	0	0	112.5	E1030 W1031 N1035 H1036	E1030-S1033 PolarHBondContact O-N 2.86Å; E1030-S1033 PolarHBondContact O-OG 2.9Å; W1031-S1033 VanDerWaalsContact C-N 3.27Å; W1031-S1033 PolarHBondContact O-N 2.82Å; S1033-N1035 PolarHBondContact O-N 2.97Å; S1033-H1036 PolarHBondContact O-N 3.41Å; S1033-H1036 PolarHBondContact O-ND1 3.13Å; S1033-H1036 PolarHBondContact OG-CE1 3.21Å; S1033-H1036 PolarHBondContact OG-ND1 3.36Å
1034	I	41.5	Very low	37.2	Very low	156 Å²	156	99.5 Å²	99.5	80%	0.8	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-1.7	-174.8	-65.7	166.4	0	0	0	114.4
1035	N	36.9	Very low	37.5	Very low	54 Å²	54	95.9 Å²	95.9	29%	0.289	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	3.1	-176.4	-69.3	-41.9	0	0	0	114.7	S1033 K1051	S1033-N1035 PolarHBondContact O-N 2.97Å; N1035-K1051 HydrophobicContact CB-CB 3.85Å; N1035-K1051 WeakPolarHBondContact O-CB 3.05Å; N1035-K1051 PolarHBondContact O-N 2.93Å
1036	H	38.1	Very low	37.5	Very low	64 Å²	64	92.3 Å²	92.3	30%	0.296	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	127.5	-179.3	-67.6	96.8	0	0	0	112.2	S1033 S1050	S1033-H1036 PolarHBondContact O-N 3.41Å; S1033-H1036 PolarHBondContact O-ND1 3.13Å; S1033-H1036 PolarHBondContact OG-CE1 3.21Å; S1033-H1036 PolarHBondContact OG-ND1 3.36Å; H1036-S1050 PolarHBondContact CD2-OG 3.34Å; H1036-S1050 WeakPolarHBondContact NE2-CB 3.37Å; H1036-S1050 PolarHBondContact NE2-OG 3.48Å
1037	Y	37.3	Very low	38	Very low	108 Å²	108	86.6 Å²	86.6	42%	0.424	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.5	177.7	-58	-75.9	0	0	0	110.7	I1039 C1049 K1051	Y1037-I1039 PolarHBondContact O-N 3.27Å; Y1037-C1049 PolarHBondContact N-O 2.91Å; Y1037-C1049 PolarHBondContact O-N 3.32Å; Y1037-K1051 HydrophobicContact CE2-CD 4.01Å; Y1037-K1051 HydrophobicContact CE2-CG 4.3Å; Y1037-K1051 PolarHBondContact OH-NZ 2.93Å
1038	I	41.9	Very low	38	Very low	60 Å²	60	87.9 Å²	87.9	31%	0.308	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	100.8	172.3	-55.5	177.2	0	0	0	108.2	L1005 Y1040 C1046 L1048	L1005-I1038 HydrophobicContact CD2-CD1 3.66Å; I1038-Y1040 HydrophobicContact CB-CE2 4.17Å; I1038-Y1040 HydrophobicContact CG2-CD2 4.1Å; I1038-Y1040 HydrophobicContact CG2-CE1 4.27Å; I1038-Y1040 HydrophobicContact CG2-CE2 3.57Å; I1038-Y1040 PolarHBondContact O-N 2.8Å; I1038-C1046 HydrophobicContact CG2-CB 3.93Å; I1038-L1048 HydrophobicContact CG1-CD1 4.09Å
1039	I	40.9	Very low	37.9	Very low	82 Å²	82	85.1 Å²	85.1	42%	0.421	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	107.3	177.9	-58	174.1	0	0	0	108.7	Y1037 K1041 T1047 C1049	Y1037-I1039 PolarHBondContact O-N 3.27Å; I1039-K1041 HydrophobicContact CG2-CG 4.45Å; I1039-K1041 PolarHBondContact O-N 3.01Å; I1039-T1047 PolarHBondContact N-O 3.44Å; I1039-T1047 PolarHBondContact O-N 3.31Å; I1039-T1047 PolarHBondContact O-OG1 2.86Å; I1039-C1049 HydrophobicContact CD1-CB 3.72Å; I1039-C1049 HydrophobicContact CG1-CB 4.37Å
1040	Y	36.5	Very low	37.5	Very low	160 Å²	160	82.4 Å²	82.4	63%	0.627	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	95	172.8	-67	-87.7	0	0	0	110.3	I1038 S1042 I1045 C1046	I1038-Y1040 HydrophobicContact CB-CE2 4.17Å; I1038-Y1040 HydrophobicContact CG2-CD2 4.1Å; I1038-Y1040 HydrophobicContact CG2-CE1 4.27Å; I1038-Y1040 HydrophobicContact CG2-CE2 3.57Å; I1038-Y1040 PolarHBondContact O-N 2.8Å; Y1040-S1042 VanDerWaalsContact C-N 3.28Å; Y1040-S1042 PolarHBondContact O-N 3.04Å; Y1040-I1045 CarbonylContact C-O 3.52Å; Y1040-I1045 WeakPolarHBondContact CA-O 3.42Å; Y1040-C1046 HydrophobicContact CE1-CB 4.5Å
1041	K	38.5	Very low	37.5	Very low	121 Å²	121	83.3 Å²	83.3	53%	0.526	42%	0.416	S	S	.	.			trans	-71.2	-21.3	175.4	-78.6	-178	178	-178.5	0	112.6	I1039 I1045 T1047 E1059	I1039-K1041 HydrophobicContact CG2-CG 4.45Å; I1039-K1041 PolarHBondContact O-N 3.01Å; K1041-I1045 HydrophobicContact CB-CB 4.01Å; K1041-I1045 HydrophobicContact CB-CG2 3.87Å; K1041-I1045 HydrophobicContact CD-CG2 4.2Å; K1041-I1045 HydrophobicContact CG-CG2 4.48Å; K1041-I1045 PolarHBondContact N-O 3.28Å; K1041-T1047 HydrophobicContact CD-CG2 4.21Å; K1041-E1059 IonicContact NZ-OE1 2.63Å; K1041-E1059 PolarHBondContact NZ-OE1 2.97Å
1042	S	32.4	Very low	37.4	Very low	54 Å²	54	83.8 Å²	83.8	38%	0.378	42%	0.424	S	S	.	.	S	Bend	trans	-166.3	-176.5	177.4	73.7	0	0	0	0	112.5	Y1040 L1044 I1045	Y1040-S1042 VanDerWaalsContact C-N 3.28Å; Y1040-S1042 PolarHBondContact O-N 3.04Å; S1042-L1044 PolarHBondContact O-N 2.87Å; S1042-L1044 PolarHBondContact OG-N 2.96Å; S1042-I1045 PolarHBondContact O-N 2.74Å; S1042-I1045 WeakPolarHBondContact OG-CG1 3.2Å; S1042-I1045 PolarHBondContact OG-N 2.88Å
1043	Y	37.8	Very low	37.5	Very low	98 Å²	98	87.8 Å²	87.8	38%	0.384	43%	0.429	S	S	.	.	S	Bend	trans	-48.8	14.3	163.5	-96	-122.6	0	0	0	116.6	L1068 F1069 I1070 K1071	Y1043-L1068 CarbonylContact O-C 3.56Å; Y1043-F1069 HydrophobicContact CD1-CB 3.77Å; Y1043-F1069 AromaticContact CD1-CD1 3.29Å; Y1043-F1069 HydrophobicContact CD1-CD1 3.29Å; Y1043-F1069 HydrophobicContact CD1-CE1 4.13Å; Y1043-F1069 AromaticContact CD1-CG 3.79Å; Y1043-F1069 HydrophobicContact CD1-CG 3.79Å; Y1043-F1069 HydrophobicContact CE1-CB 4.38Å; Y1043-F1069 AromaticContact CE1-CD1 3.6Å; Y1043-F1069 HydrophobicContact CE1-CD1 3.6Å; Y1043-F1069 HydrophobicContact CE1-CE1 4.39Å; Y1043-F1069 HydrophobicContact CE1-CG 4.4Å; Y1043-F1069 HydrophobicContact CG-CD1 4.22Å; Y1043-F1069 CarbonylContact O-C 3.23Å; Y1043-I1070 WeakPolarHBondContact CA-O 3.47Å; Y1043-I1070 WeakPolarHBondContact CB-O 3.39Å; Y1043-I1070 VanDerWaalsContact CD1-N 3.28Å; Y1043-I1070 WeakPolarHBondContact CD1-O 3.45Å; Y1043-I1070 WeakPolarHBondContact CD2-O 3.24Å; Y1043-I1070 PolarHBondContact O-N 3.24Å; Y1043-K1071 HydrophobicContact CE1-CB 3.85Å; Y1043-K1071 HydrophobicContact CE1-CG 4.46Å; Y1043-K1071 HydrophobicContact CE2-CB 4.13Å; Y1043-K1071 HydrophobicContact CE2-CG 3.95Å; Y1043-K1071 WeakPolarHBondContact OH-CB 3.39Å; Y1043-K1071 WeakPolarHBondContact OH-CD 3.42Å; Y1043-K1071 WeakPolarHBondContact OH-CG 3.35Å
1044	L	39	Very low	37.6	Very low	56 Å²	56	89.6 Å²	89.6	29%	0.293	44%	0.44	S	S	.	.	S	Bend	trans	-165.3	-41.4	-168.7	-142.7	-172.1	0	0	0	112.5	S1042 C1046 I1066 L1068	S1042-L1044 PolarHBondContact O-N 2.87Å; S1042-L1044 PolarHBondContact OG-N 2.96Å; L1044-C1046 PolarHBondContact O-N 3.48Å; L1044-I1066 HydrophobicContact CD1-CG2 3.8Å; L1044-I1066 HydrophobicContact CD2-CG2 3.72Å; L1044-I1066 HydrophobicContact CG-CG2 4.39Å; L1044-L1068 HydrophobicContact CD1-CB 4.14Å; L1044-L1068 HydrophobicContact CD2-CB 3.71Å; L1044-L1068 HydrophobicContact CD2-CD1 4.44Å; L1044-L1068 HydrophobicContact CG-CB 3.47Å; L1044-L1068 VanDerWaalsContact CG-CB 3.47Å
1045	I	34.9	Very low	37.4	Very low	83 Å²	83	89.4 Å²	89.4	43%	0.426	44%	0.441	S	S	.	.			trans	-95.4	98	-163.7	-57.5	169.1	0	0	0	109.3	Y1040 K1041 S1042	Y1040-I1045 CarbonylContact C-O 3.52Å; Y1040-I1045 WeakPolarHBondContact CA-O 3.42Å; K1041-I1045 HydrophobicContact CB-CB 4.01Å; K1041-I1045 HydrophobicContact CB-CG2 3.87Å; K1041-I1045 HydrophobicContact CD-CG2 4.2Å; K1041-I1045 HydrophobicContact CG-CG2 4.48Å; K1041-I1045 PolarHBondContact N-O 3.28Å; S1042-I1045 PolarHBondContact O-N 2.74Å; S1042-I1045 WeakPolarHBondContact OG-CG1 3.2Å; S1042-I1045 PolarHBondContact OG-N 2.88Å
1046	C	31.7	Very low	37.3	Very low	56 Å²	56	92.8 Å²	92.8	38%	0.378	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	129.2	157.1	58.2	0	0	0	0	109.5	I1038 Y1040 L1044	I1038-C1046 HydrophobicContact CG2-CB 3.93Å; Y1040-C1046 HydrophobicContact CE1-CB 4.5Å; L1044-C1046 PolarHBondContact O-N 3.48Å
1047	T	40.5	Very low	37.2	Very low	44 Å²	44	95.5 Å²	95.5	27%	0.27	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	115.9	166.2	22.6	0	0	0	0	108	I1039 K1041	I1039-T1047 PolarHBondContact N-O 3.44Å; I1039-T1047 PolarHBondContact O-N 3.31Å; I1039-T1047 PolarHBondContact O-OG1 2.86Å; K1041-T1047 HydrophobicContact CD-CG2 4.21Å
1048	L	34.9	Very low	37	Very low	115 Å²	115	96 Å²	96	60%	0.602	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	125.3	173	-165.6	77.5	0	0	0	108.2	I1038	I1038-L1048 HydrophobicContact CG1-CD1 4.09Å
1049	C	35.7	Very low	36.6	Very low	50 Å²	50	98.3 Å²	98.3	34%	0.338	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.1	179	-168.8	0	0	0	0	109.8	Y1037 I1039	Y1037-C1049 PolarHBondContact N-O 2.91Å; Y1037-C1049 PolarHBondContact O-N 3.32Å; I1039-C1049 HydrophobicContact CD1-CB 3.72Å; I1039-C1049 HydrophobicContact CG1-CB 4.37Å
1050	S	34.1	Very low	36.1	Very low	24 Å²	24	101.1 Å²	101.1	17%	0.168	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130.9	177.7	-168.1	0	0	0	0	110.6	H1036 Q1052 Y1053	H1036-S1050 PolarHBondContact CD2-OG 3.34Å; H1036-S1050 WeakPolarHBondContact NE2-CB 3.37Å; H1036-S1050 PolarHBondContact NE2-OG 3.48Å; S1050-Q1052 PolarHBondContact O-N 3.04Å; S1050-Y1053 PolarHBondContact O-N 3.47Å; S1050-Y1053 VanDerWaalsContact O-N 3.11Å
1051	K	40.4	Very low	35.7	Very low	133 Å²	133	99.6 Å²	99.6	58%	0.578	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-15.3	-178.7	-140.4	172.6	-167.8	164.5	0	114.2	N1035 Y1037	N1035-K1051 HydrophobicContact CB-CB 3.85Å; N1035-K1051 WeakPolarHBondContact O-CB 3.05Å; N1035-K1051 PolarHBondContact O-N 2.93Å; Y1037-K1051 HydrophobicContact CE2-CD 4.01Å; Y1037-K1051 HydrophobicContact CE2-CG 4.3Å; Y1037-K1051 PolarHBondContact OH-NZ 2.93Å
1052	Q	38.9	Very low	35.1	Very low	128 Å²	128	98.1 Å²	98.1	60%	0.598	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-15.2	-180	-70.3	177.8	-31.8	0	0	114.1	S1050	S1050-Q1052 PolarHBondContact O-N 3.04Å
1053	Y	38.3	Very low	35.1	Very low	151 Å²	151	103.4 Å²	103.4	59%	0.592	54%	0.538	S	S	*	.			trans	-141	74.3	-175.4	-64.7	-76.4	0	0	0	112.1	S1050 D1055 L1056	S1050-Y1053 PolarHBondContact O-N 3.47Å; S1050-Y1053 VanDerWaalsContact O-N 3.11Å; Y1053-D1055 PolarHBondContact O-N 3Å; Y1053-L1056 HydrophobicContact CD1-CD1 3.92Å; Y1053-L1056 HydrophobicContact CG-CD1 3.96Å
1054	P	39	Very low	34.5	Very low	84 Å²	84	106.8 Å²	106.8	55%	0.545	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.2	-24.6	176.1	27.8	-34.9	0	0	0	113.2
1055	D	38.8	Very low	33.9	Very low	152 Å²	152	107 Å²	107	81%	0.813	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-6.5	-171.9	-55.9	-55.2	0	0	0	114.6	Y1053 I1057	Y1053-D1055 PolarHBondContact O-N 3Å; D1055-I1057 PolarHBondContact O-N 3.06Å
1056	L	34.6	Very low	33.7	Very low	126 Å²	126	108.2 Å²	108.2	66%	0.66	57%	0.572	S	S	*	*			trans	-83.5	47.1	178.5	-88	170.4	0	0	0	113	Y1053 V1058	Y1053-L1056 HydrophobicContact CD1-CD1 3.92Å; Y1053-L1056 HydrophobicContact CG-CD1 3.96Å; L1056-V1058 PolarHBondContact O-N 2.92Å
1057	I	35.6	Very low	33.5	Very low	120 Å²	120	115.9 Å²	115.9	62%	0.615	59%	0.593	S	S	*	*			trans	-91	86.2	175.1	-57.6	178.7	0	0	0	109.5	D1055 E1059	D1055-I1057 PolarHBondContact O-N 3.06Å; I1057-E1059 HydrophobicContact CG2-CB 4.49Å; I1057-E1059 HydrophobicContact CG2-CG 3.79Å; I1057-E1059 PolarHBondContact O-N 3.17Å; I1057-E1059 VanDerWaalsContact O-N 3.16Å
1058	V	33.4	Very low	32.9	Very low	120 Å²	120	118.1 Å²	118.1	73%	0.727	60%	0.603	S	S	*	*			trans	-83.7	80.2	170.9	-173.5	0	0	0	0	109.4	L1056 D1060	L1056-V1058 PolarHBondContact O-N 2.92Å; V1058-D1060 PolarHBondContact O-N 3.14Å
1059	E	32.3	Very low	32.6	Very low	108 Å²	108	119.6 Å²	119.6	51%	0.505	61%	0.605	S	S	.	*			trans	-76.8	83.4	173.5	-88.4	-177.2	169.4	0	0	110.9	K1041 I1057 T1061	K1041-E1059 IonicContact NZ-OE1 2.63Å; K1041-E1059 PolarHBondContact NZ-OE1 2.97Å; I1057-E1059 HydrophobicContact CG2-CB 4.49Å; I1057-E1059 HydrophobicContact CG2-CG 3.79Å; I1057-E1059 PolarHBondContact O-N 3.17Å; I1057-E1059 VanDerWaalsContact O-N 3.16Å; E1059-T1061 VanDerWaalsContact C-N 3.35Å; E1059-T1061 HydrophobicContact CB-CG2 4.27Å; E1059-T1061 PolarHBondContact O-N 3.5Å
1060	D	30.1	Very low	32.2	Very low	141 Å²	141	121.1 Å²	121.1	75%	0.754	61%	0.609	S	S	*	*			trans	-79.5	77.7	-179.8	-145.6	4.2	0	0	0	111.2	V1058 S1062	V1058-D1060 PolarHBondContact O-N 3.14Å; D1060-S1062 VanDerWaalsContact C-N 3.35Å; D1060-S1062 PolarHBondContact O-N 3.34Å
1061	T	28	Very low	31.9	Very low	128 Å²	128	128.6 Å²	128.6	79%	0.785	64%	0.638	S	S	*	*			trans	-78.8	64.4	-165.5	59.1	0	0	0	0	114.8	E1059	E1059-T1061 VanDerWaalsContact C-N 3.35Å; E1059-T1061 HydrophobicContact CB-CG2 4.27Å; E1059-T1061 PolarHBondContact O-N 3.5Å
1062	S	27.4	Very low	31.5	Very low	90 Å²	90	128.4 Å²	128.4	63%	0.629	64%	0.641	S	S	*	*			trans	-135.8	19.8	179.8	85.6	0	0	0	0	117.7	D1060	D1060-S1062 VanDerWaalsContact C-N 3.35Å; D1060-S1062 PolarHBondContact O-N 3.34Å
1063	Y	31	Very low	31.1	Very low	164 Å²	164	128.4 Å²	128.4	64%	0.643	64%	0.644	S	S	*	*			trans	-119.5	103.4	175.6	-97	-97.2	0	0	0	114.9	F1017	F1017-Y1063 AromaticContact CE2-CE2 3.49Å; F1017-Y1063 HydrophobicContact CE2-CE2 3.49Å; F1017-Y1063 VanDerWaalsContact CE2-CE2 3.49Å; F1017-Y1063 AromaticContact CE2-CZ 3.78Å; F1017-Y1063 WeakPolarHBondContact CE2-OH 3.18Å; F1017-Y1063 AromaticContact CZ-CE2 3.75Å; F1017-Y1063 HydrophobicContact CZ-CE2 3.75Å; F1017-Y1063 WeakPolarHBondContact CZ-OH 3.14Å
1064	R	26.9	Very low	30.7	Very low	170 Å²	170	127.2 Å²	127.2	64%	0.642	65%	0.647	S	S	*	*			trans	-90.7	111.4	167.7	-86.8	-179.2	157.2	-119.1	-6.8	110.8	T563	T563-R1064 PolarHBondContact OG1-NH1 3.46Å
1065	G	26.5	Very low	30.2	Very low	60 Å²	60	129.7 Å²	129.7	62%	0.619	65%	0.653	S	S	*	*			trans	132.1	63.4	156.9	0	0	0	0	0	117.3
1066	I	30.8	Very low	29.7	Very low	108 Å²	108	128.3 Å²	128.3	55%	0.554	64%	0.643	S	S	*	*			trans	-125.7	-17.2	171.4	-114	171.8	0	0	0	116	L1044 L1068	L1044-I1066 HydrophobicContact CD1-CG2 3.8Å; L1044-I1066 HydrophobicContact CD2-CG2 3.72Å; L1044-I1066 HydrophobicContact CG-CG2 4.39Å; I1066-L1068 PolarHBondContact O-N 2.65Å
1067	R	26.4	Very low	29.3	Very low	217 Å²	217	128.5 Å²	128.5	82%	0.819	64%	0.641	S	S	*	*			trans	21.4	40.5	162	-146.9	-166.8	-158.3	-172.6	6.5	119.8	F1069	R1067-F1069 HydrophobicContact CG-CD2 4.49Å; R1067-F1069 HydrophobicContact CG-CE2 4.15Å
1068	L	28.4	Very low	28.9	Very low	92 Å²	92	129.1 Å²	129.1	48%	0.482	64%	0.643	S	S	.	*			trans	-65.4	153.2	166.5	-114.8	146.8	0	0	0	109.1	Y1043 L1044 I1066 I1070	Y1043-L1068 CarbonylContact O-C 3.56Å; L1044-L1068 HydrophobicContact CD1-CB 4.14Å; L1044-L1068 HydrophobicContact CD2-CB 3.71Å; L1044-L1068 HydrophobicContact CD2-CD1 4.44Å; L1044-L1068 HydrophobicContact CG-CB 3.47Å; L1044-L1068 VanDerWaalsContact CG-CB 3.47Å; I1066-L1068 PolarHBondContact O-N 2.65Å; L1068-I1070 HydrophobicContact CD2-CG1 4.3Å
1069	F	27.2	Very low	28.5	Very low	145 Å²	145	129.8 Å²	129.8	64%	0.636	64%	0.637	S	S	*	*			trans	-133.4	99.5	179.9	-99.7	-106.4	0	0	0	110.2	Y1043 R1067	Y1043-F1069 HydrophobicContact CD1-CB 3.77Å; Y1043-F1069 AromaticContact CD1-CD1 3.29Å; Y1043-F1069 HydrophobicContact CD1-CD1 3.29Å; Y1043-F1069 HydrophobicContact CD1-CE1 4.13Å; Y1043-F1069 AromaticContact CD1-CG 3.79Å; Y1043-F1069 HydrophobicContact CD1-CG 3.79Å; Y1043-F1069 HydrophobicContact CE1-CB 4.38Å; Y1043-F1069 AromaticContact CE1-CD1 3.6Å; Y1043-F1069 HydrophobicContact CE1-CD1 3.6Å; Y1043-F1069 HydrophobicContact CE1-CE1 4.39Å; Y1043-F1069 HydrophobicContact CE1-CG 4.4Å; Y1043-F1069 HydrophobicContact CG-CD1 4.22Å; Y1043-F1069 CarbonylContact O-C 3.23Å; R1067-F1069 HydrophobicContact CG-CD2 4.49Å; R1067-F1069 HydrophobicContact CG-CE2 4.15Å
1070	I	27.5	Very low	28.2	Very low	82 Å²	82	131.6 Å²	131.6	42%	0.421	65%	0.648	S	S	.	*			trans	-108.8	113.2	175.6	-55.9	171.4	0	0	0	109.6	M944 Y1043 L1068	M944-I1070 HydrophobicContact CE-CG2 3.57Å; Y1043-I1070 WeakPolarHBondContact CA-O 3.47Å; Y1043-I1070 WeakPolarHBondContact CB-O 3.39Å; Y1043-I1070 VanDerWaalsContact CD1-N 3.28Å; Y1043-I1070 WeakPolarHBondContact CD1-O 3.45Å; Y1043-I1070 WeakPolarHBondContact CD2-O 3.24Å; Y1043-I1070 PolarHBondContact O-N 3.24Å; L1068-I1070 HydrophobicContact CD2-CG1 4.3Å
1071	K	28.7	Very low	28.1	Very low	182 Å²	182	130.7 Å²	130.7	79%	0.791	64%	0.638	S	S	*	*			trans	-87.5	0	163.2	-158.8	179.7	-168.3	-159	0	109.8	Y1043	Y1043-K1071 HydrophobicContact CE1-CB 3.85Å; Y1043-K1071 HydrophobicContact CE1-CG 4.46Å; Y1043-K1071 HydrophobicContact CE2-CB 4.13Å; Y1043-K1071 HydrophobicContact CE2-CG 3.95Å; Y1043-K1071 WeakPolarHBondContact OH-CB 3.39Å; Y1043-K1071 WeakPolarHBondContact OH-CD 3.42Å; Y1043-K1071 WeakPolarHBondContact OH-CG 3.35Å

Retrieved 1,071 of 1,071 residues in 841.6 ms (Link to these results)

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