A0A087XIH4_POEFO Loading...

Phosphodiesterase

AlphaFold DB , UniProt , Accession A0A087XIH4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,035 aa.

						>A0A087XIH4_POEFO|A0A087XIH4
MAMSTEACSTTGTQSNTRKKGFGAPDRNGYVKTRVTPRCSDPDCEAWLRLMFNKLWSSQRVRRAACVGSLSVVLAALVKCAGWTAEASSSSSSADNTLSPSPSPLHFVSDCAAELLQTCWSALSLLFALVCAFFWVGVYLIHCGVLIETLLSLLTLCHLSEVAAWSLLDGTDEQLFLSATAAGVVLLCAVAGVLMVVRLNQGTSAIVLISVARTISLLSLHKVRGAWRPYVAYLVGVLGILLARYADRLLPKQGTHKEGCTPVTGAREEIPVFKRRRRSSSVIASDMAHSQSNSKSHRRTSLPCIQRDQMLSRSEWDHKRGSRGSQSSGTTVMVDIAVMGEAHGLITDLLADPSLPSHTCTSLRAVSSLLTTQLTFQPLHRPRPVPLLNPCDAYTCSDSEEGPEKGEKTSIHKRLRRSLHPGLLRRISSTWTTTTSATGLPTIEPGPVRRDRSSSIKPYHETLTCSCGRPYIRLTHGEGSIDKGDRTPRTEDPVVVSSDYDSTHEANHSDSSDVAQTEEDTEKGKKPSQNVILHALIPPEDKPILAQEPLVMEDLEPLMSQLNNWNFPIFTLMEKTNGKCGRILSQVSYRLFEDTGLFETFKIPVKEFMNYFHALESGYRDIPYHNRIHATDVLHAVWYLTTQPVPGLPSLINDHSSASDSDSDSGITHSHMGFLVSKTYTVSEDGYGCLSGLIPALELMALYVAAAMHDYDHPGRTNAFLVATSAPQAVLYNDRSVLENHHAASAWNLFMSHPDYNFLVNLDHVEFKRFRFLVIEAILATDLKKHFDFLAEFNAKVGDDPSTGIDWSNENDRLLVCQMCIKLADINGPLKCKDLHLQWTEGIVNEFYEQGDEESSLGLPVSPFMDRAAPQLAKLQESFITHIVGPLCNSYDSAGLIPGRWVEPEPEEEEPEIAESEEADEDGSTCSDASQKAAPKKRRKVFCQITQHLLENHKMWKKVIEDESQNEEQGTESAHLNKVTEPILAIDEEEEESGSREEPGEGEHCEEEETEKAEWPVSDRDDSQTPEEGGDSEPQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.9	Very low	28	Very low	242 Å²	242	133.3 Å²	133.3	100%	1.192	81%	0.807	S	S	*	*				0	145.5	0	-74.9	172.2	160.9	0	0	108
2	A	29.3	Very low	27.9	Very low	101 Å²	101	127.8 Å²	127.8	84%	0.835	80%	0.798	S	S	*	*			trans	48.5	112.3	175.6	0	0	0	0	0	116.5
3	M	28	Very low	27.7	Very low	175 Å²	175	128 Å²	128	86%	0.862	80%	0.798	S	S	*	*			cis	75.7	99.3	24.5	-152.9	-177.4	-172.2	0	0	116.5
4	S	29.2	Very low	27.7	Very low	107 Å²	107	131.6 Å²	131.6	75%	0.748	80%	0.801	S	S	*	*			trans	-166.7	129.3	145.6	-86.6	0	0	0	0	107.1
5	T	30.1	Very low	27.6	Very low	99 Å²	99	128.8 Å²	128.8	61%	0.607	79%	0.789	S	S	*	*				67.3	133.1	53.5	67.6	0	0	0	0	113.4
6	E	26.5	Very low	27.6	Very low	177 Å²	177	130.2 Å²	130.2	83%	0.827	79%	0.79	S	S	*	*			cis	-163.4	135.4	-3.4	-109.5	174.7	160	0	0	106.6
7	A	27.6	Very low	27.6	Very low	85 Å²	85	130.5 Å²	130.5	70%	0.702	79%	0.792	S	S	*	*				92	159.8	81.7	0	0	0	0	0	116.4
8	C	25.2	Very low	27.6	Very low	127 Å²	127	135.3 Å²	135.3	86%	0.858	79%	0.794	S	S	*	*			trans	75.2	143.9	172.8	-68.5	0	0	0	0	120
9	S	27.4	Very low	27.6	Very low	92 Å²	92	137.6 Å²	137.6	64%	0.643	79%	0.793	S	S	*	*			cis	-170.3	137	-15.5	50.4	0	0	0	0	114.8
10	T	27.6	Very low	27.6	Very low	124 Å²	124	141.4 Å²	141.4	76%	0.761	80%	0.8	S	S	*	*			trans	45	133.2	141.2	61.8	0	0	0	0	121.3
11	T	26.3	Very low	27.4	Very low	137 Å²	137	137.9 Å²	137.9	84%	0.84	80%	0.795	S	S	*	*				-156.5	142.4	63.7	39.3	0	0	0	0	110.5
12	G	26.8	Very low	27.1	Very low	68 Å²	68	136.6 Å²	136.6	70%	0.701	78%	0.783	S	S	*	*				107.2	136.7	78.4	0	0	0	0	0	109.8
13	T	25.6	Very low	26.9	Very low	130 Å²	130	135.1 Å²	135.1	80%	0.798	78%	0.778	S	S	*	*			cis	-162.6	161.6	12.9	-26.3	0	0	0	0	111.7
14	Q	27.5	Very low	27	Very low	179 Å²	179	131.5 Å²	131.5	84%	0.836	78%	0.776	S	S	*	*			trans	70.8	147.9	161.9	-61.6	176.6	15.6	0	0	119
15	S	26.7	Very low	27.1	Very low	89 Å²	89	132.4 Å²	132.4	62%	0.622	78%	0.779	S	S	*	*			cis	-169.6	137	-23	54.7	0	0	0	0	113.3
16	N	26.8	Very low	27.4	Very low	151 Å²	151	135 Å²	135	81%	0.807	79%	0.789	S	S	*	*			trans	62.1	152.3	160.8	-62.6	-25.9	0	0	0	118
17	T	27.4	Very low	27.5	Very low	135 Å²	135	137.7 Å²	137.7	83%	0.828	79%	0.792	S	S	*	*			cis	-146.5	160.4	14.2	-29.2	0	0	0	0	113.2
18	R	28.1	Very low	27.6	Very low	217 Å²	217	141 Å²	141	82%	0.819	80%	0.798	S	S	*	*			trans	-74.5	171.6	164	-81.1	172	159.5	169.8	-5.6	111
19	K	28.1	Very low	27.7	Very low	180 Å²	180	138.3 Å²	138.3	78%	0.783	79%	0.792	S	S	*	*			cis	-164.7	156.2	17.6	-140.1	169.3	-177.1	-173.2	0	113
20	K	26.4	Very low	27.6	Very low	213 Å²	213	144.3 Å²	144.3	93%	0.926	80%	0.802	S	S	*	*			trans	-12.9	148	163.5	-69.1	-171.5	168	-166.4	0	122.4
21	G	23.8	Very low	27.6	Very low	68 Å²	68	144.6 Å²	144.6	70%	0.701	80%	0.803	S	S	*	*			trans	127.5	143.8	149.7	0	0	0	0	0	113.5
22	F	24.9	Very low	27.7	Very low	214 Å²	214	146.9 Å²	146.9	94%	0.939	80%	0.801	S	S	*	*			cis	-164.3	151.6	-2.6	-131	-80.5	0	0	0	109.5
23	G	24.9	Very low	27.8	Very low	70 Å²	70	149.8 Å²	149.8	72%	0.722	81%	0.805	S	S	*	*			trans	75.5	142	153	0	0	0	0	0	119.9
24	A	29.1	Very low	27.9	Very low	99 Å²	99	154.3 Å²	154.3	82%	0.818	81%	0.808	S	S	*	*			trans	-86.7	166.2	158	0	0	0	0	0	110.3
25	P	32.9	Very low	28	Very low	126 Å²	126	152 Å²	152	82%	0.818	81%	0.806	S	S	*	*				-139.5	160.1	114.6	38.8	-29.2	0	0	0	114
26	D	35.5	Very low	27.9	Very low	155 Å²	155	154 Å²	154	83%	0.829	82%	0.815	S	S	*	*			trans	-63.2	142.4	169	-68.7	-71.3	0	0	0	113.1
27	R	28.5	Very low	28	Very low	233 Å²	233	152 Å²	152	88%	0.879	81%	0.81	S	S	*	*			trans	-168.5	127.1	139.5	-115.5	170.4	172.1	-171.3	-5.1	114.7
28	N	29.9	Very low	27.9	Very low	154 Å²	154	157.1 Å²	157.1	82%	0.824	81%	0.814	S	S	*	*			trans	12.7	100.6	154.4	-57.8	14.7	0	0	0	117.9
29	G	26.8	Very low	27.7	Very low	71 Å²	71	152.6 Å²	152.6	73%	0.732	81%	0.814	S	S	*	*			trans	-92.4	105.4	161.6	0	0	0	0	0	111.9	V31	G29-V31 PolarHBondContact O-N 2.82Å; G29-V31 VanDerWaalsContact O-N 3.14Å
30	Y	26.2	Very low	27.9	Very low	218 Å²	218	148.8 Å²	148.8	86%	0.855	81%	0.81	S	S	*	*			trans	-66.4	104.8	167.7	-113.6	-102.5	0	0	0	109.4	K32	Y30-K32 VanDerWaalsContact C-N 3.29Å; Y30-K32 PolarHBondContact O-N 3.4Å
31	V	27.3	Very low	28.1	Very low	129 Å²	129	144.6 Å²	144.6	78%	0.782	80%	0.798	S	S	*	*			trans	-82.1	79.6	174.1	-175	0	0	0	0	109.3	G29 T33	G29-V31 PolarHBondContact O-N 2.82Å; G29-V31 VanDerWaalsContact O-N 3.14Å; V31-T33 HydrophobicContact CG1-CG2 4.34Å; V31-T33 PolarHBondContact O-N 2.83Å
32	K	28.5	Very low	28.6	Very low	185 Å²	185	145.8 Å²	145.8	80%	0.804	79%	0.793	S	S	*	*			trans	-73.4	103.4	170.1	-165.4	159.8	-169.6	155.6	0	108.2	Y30 R34	Y30-K32 VanDerWaalsContact C-N 3.29Å; Y30-K32 PolarHBondContact O-N 3.4Å; K32-R34 PolarHBondContact O-N 2.99Å
33	T	28.3	Very low	28.9	Very low	129 Å²	129	141.3 Å²	141.3	79%	0.791	78%	0.779	S	S	*	*			trans	-68.1	64.4	-175.5	37.5	0	0	0	0	113.1	V31 V35	V31-T33 HydrophobicContact CG1-CG2 4.34Å; V31-T33 PolarHBondContact O-N 2.83Å; T33-V35 PolarHBondContact O-N 3.2Å
34	R	28	Very low	29.5	Very low	226 Å²	226	141.6 Å²	141.6	85%	0.853	77%	0.769	S	S	*	*			trans	-68.1	112	163.8	-102.9	-173.8	172.1	177.3	-2.2	109	K32 T36	K32-R34 PolarHBondContact O-N 2.99Å; R34-T36 PolarHBondContact O-N 3.31Å
35	V	29.3	Very low	30.1	Very low	131 Å²	131	142.2 Å²	142.2	79%	0.794	76%	0.755	S	S	*	*			trans	-48.7	121.9	163.2	177.4	0	0	0	0	108.9	T33 P37	T33-V35 PolarHBondContact O-N 3.2Å; V35-P37 WeakPolarHBondContact O-CD 3.39Å
36	T	24.4	Very low	30.4	Very low	131 Å²	131	139.2 Å²	139.2	80%	0.804	74%	0.741	S	S	*	*			trans	-92.1	97.8	167.4	42.9	0	0	0	0	109	R34	R34-T36 PolarHBondContact O-N 3.31Å
37	P	29.3	Very low	30.7	Very low	109 Å²	109	140.2 Å²	140.2	71%	0.708	73%	0.734	S	S	*	*			trans	-63.2	139.7	171.5	28.2	-34.9	0	0	0	109.5	V35 C39	V35-P37 WeakPolarHBondContact O-CD 3.39Å; P37-C39 PolarHBondContact O-N 3.25Å; P37-C39 VanDerWaalsContact O-N 3.09Å
38	R	25.2	Very low	31.3	Very low	241 Å²	241	133.2 Å²	133.2	91%	0.909	71%	0.713	S	S	*	*			trans	-60.8	115.1	174.3	-172.3	173.5	179.9	169.9	-0.3	108.6	S40	R38-S40 PolarHBondContact O-N 3.49Å; R38-S40 VanDerWaalsContact O-N 3.14Å; R38-S40 PolarHBondContact O-OG 3.13Å
39	C	25.4	Very low	32.2	Very low	123 Å²	123	133.8 Å²	133.8	83%	0.831	70%	0.704	S	S	*	*			trans	-52	117.6	-160.9	-167.9	0	0	0	0	113	P37	P37-C39 PolarHBondContact O-N 3.25Å; P37-C39 VanDerWaalsContact O-N 3.09Å
40	S	32	Very low	33	Very low	100 Å²	100	135.9 Å²	135.9	70%	0.699	70%	0.698	S	S	*	*			trans	-124.7	117.9	170.1	-62.8	0	0	0	0	106.7	R38 P42	R38-S40 PolarHBondContact O-N 3.49Å; R38-S40 VanDerWaalsContact O-N 3.14Å; R38-S40 PolarHBondContact O-OG 3.13Å; S40-P42 WeakPolarHBondContact O-CD 3.47Å; S40-P42 WeakPolarHBondContact O-CG 3.46Å
41	D	29.8	Very low	34.1	Very low	125 Å²	125	130.5 Å²	130.5	67%	0.668	68%	0.681	S	S	*	*			trans	-62.1	106.8	-164.1	-170.7	-8	0	0	0	113.3	D43	D41-D43 PolarHBondContact OD1-N 3.43Å
42	P	33.9	Very low	35	Very low	92 Å²	92	130.8 Å²	130.8	60%	0.597	67%	0.672	S	S	*	*			trans	-85.6	-26	-173.4	-7.4	26	0	0	0	113.7	S40 C44 E45	S40-P42 WeakPolarHBondContact O-CD 3.47Å; S40-P42 WeakPolarHBondContact O-CG 3.46Å; P42-C44 VanDerWaalsContact C-N 3.27Å; P42-C44 PolarHBondContact O-N 3.44Å; P42-E45 PolarHBondContact O-N 2.75Å
43	D	31.6	Very low	36	Very low	121 Å²	121	127.7 Å²	127.7	65%	0.647	67%	0.665	S	S	*	*	H	α-helix	trans	-69.7	-27.1	-162.8	-79.1	-19.5	0	0	0	112.3	D41 W47	D41-D43 PolarHBondContact OD1-N 3.43Å; D43-W47 WeakPolarHBondContact O-CB 3.49Å; D43-W47 PolarHBondContact O-N 3.08Å
44	C	38.1	Very low	36.8	Very low	76 Å²	76	129 Å²	129	51%	0.514	66%	0.66	S	S	.	*	H	α-helix	trans	-67.7	-43	179.7	-161.2	0	0	0	0	112.8	P42 W47 L48	P42-C44 VanDerWaalsContact C-N 3.27Å; P42-C44 PolarHBondContact O-N 3.44Å; C44-W47 PolarHBondContact O-N 3.3Å; C44-L48 WeakPolarHBondContact O-CB 3.33Å; C44-L48 VanDerWaalsContact O-CG 3.29Å; C44-L48 WeakPolarHBondContact O-CG 3.47Å; C44-L48 PolarHBondContact O-N 3.38Å
45	E	40.4	Very low	37.7	Very low	111 Å²	111	123 Å²	123	52%	0.519	64%	0.644	S	S	.	*	H	α-helix	trans	-75.6	-37	-173.9	-152.7	-171.8	143.7	0	0	112.2	P42 L48 R49	P42-E45 PolarHBondContact O-N 2.75Å; E45-L48 PolarHBondContact O-N 3.32Å; E45-R49 WeakPolarHBondContact O-CG 3.48Å; E45-R49 PolarHBondContact O-N 3.25Å; E45-R49 IonicContact OE1-CZ 2.67Å; E45-R49 IonicContact OE1-NE 3.44Å; E45-R49 PolarHBondContact OE1-NE 3.45Å; E45-R49 IonicContact OE1-NH2 2.71Å; E45-R49 PolarHBondContact OE1-NH2 3Å
46	A	40.8	Very low	38.6	Very low	64 Å²	64	126.2 Å²	126.2	53%	0.529	64%	0.642	S	S	.	*	H	α-helix	trans	-61.1	-45.8	171.7	0	0	0	0	0	111.2	L48 L50	A46-L48 PolarHBondContact O-N 3.39Å; A46-L50 VanDerWaalsContact O-CB 3.3Å; A46-L50 WeakPolarHBondContact O-CB 3.49Å; A46-L50 PolarHBondContact O-N 3.16Å
47	W	40.4	Very low	39.7	Very low	176 Å²	176	123.4 Å²	123.4	67%	0.667	63%	0.628	S	S	*	*	H	α-helix	trans	-61.1	-43.2	175.3	-107.5	85.2	0	0	0	112.7	D43 C44 L50 M51	D43-W47 WeakPolarHBondContact O-CB 3.49Å; D43-W47 PolarHBondContact O-N 3.08Å; C44-W47 PolarHBondContact O-N 3.3Å; W47-L50 PolarHBondContact O-N 3.31Å; W47-M51 HydrophobicContact CE3-CG 3.72Å; W47-M51 HydrophobicContact CE3-SD 4.1Å; W47-M51 HydrophobicContact CZ3-CG 4.1Å; W47-M51 HydrophobicContact CZ3-SD 3.96Å; W47-M51 VanDerWaalsContact O-CB 3.23Å; W47-M51 WeakPolarHBondContact O-CB 3.25Å; W47-M51 WeakPolarHBondContact O-CG 3.36Å; W47-M51 PolarHBondContact O-N 3.35Å
48	L	41.1	Very low	40.8	Very low	86 Å²	86	120.1 Å²	120.1	45%	0.45	61%	0.607	S	S	.	*	H	α-helix	trans	-65.8	-46	-179.7	-75	168.6	0	0	0	112.2	C44 E45 A46 L50 M51 F52	C44-L48 WeakPolarHBondContact O-CB 3.33Å; C44-L48 VanDerWaalsContact O-CG 3.29Å; C44-L48 WeakPolarHBondContact O-CG 3.47Å; C44-L48 PolarHBondContact O-N 3.38Å; E45-L48 PolarHBondContact O-N 3.32Å; A46-L48 PolarHBondContact O-N 3.39Å; L48-L50 PolarHBondContact O-N 2.99Å; L48-M51 PolarHBondContact O-N 3.46Å; L48-F52 WeakPolarHBondContact O-CD2 3.26Å; L48-F52 PolarHBondContact O-N 3.46Å
49	R	49	Very low	41.9	Very low	165 Å²	165	115.3 Å²	115.3	62%	0.623	60%	0.595	S	S	*	*	H	α-helix	trans	-63.1	-41	176.1	-68.4	-178.9	-175.4	-137.9	7.8	111.5	E45 N53	E45-R49 WeakPolarHBondContact O-CG 3.48Å; E45-R49 PolarHBondContact O-N 3.25Å; E45-R49 IonicContact OE1-CZ 2.67Å; E45-R49 IonicContact OE1-NE 3.44Å; E45-R49 PolarHBondContact OE1-NE 3.45Å; E45-R49 IonicContact OE1-NH2 2.71Å; E45-R49 PolarHBondContact OE1-NH2 3Å; R49-N53 PolarHBondContact O-N 3.11Å
50	L	44.9	Very low	43	Very low	116 Å²	116	119.6 Å²	119.6	61%	0.607	59%	0.594	S	S	*	*	H	α-helix	trans	-67.5	-40.9	176.8	-160.5	74.6	0	0	0	111.9	A46 W47 L48 K54	A46-L50 VanDerWaalsContact O-CB 3.3Å; A46-L50 WeakPolarHBondContact O-CB 3.49Å; A46-L50 PolarHBondContact O-N 3.16Å; W47-L50 PolarHBondContact O-N 3.31Å; L48-L50 PolarHBondContact O-N 2.99Å; L50-K54 WeakPolarHBondContact O-CB 3.35Å; L50-K54 PolarHBondContact O-N 3.38Å
51	M	47.6	Very low	43.9	Very low	104 Å²	104	117.6 Å²	117.6	51%	0.512	58%	0.577	S	S	.	*	H	α-helix	trans	-61.8	-48	175.2	-78.7	-114	-76.8	0	0	112.1	W47 L48 N53 K54 L55	W47-M51 HydrophobicContact CE3-CG 3.72Å; W47-M51 HydrophobicContact CE3-SD 4.1Å; W47-M51 HydrophobicContact CZ3-CG 4.1Å; W47-M51 HydrophobicContact CZ3-SD 3.96Å; W47-M51 VanDerWaalsContact O-CB 3.23Å; W47-M51 WeakPolarHBondContact O-CB 3.25Å; W47-M51 WeakPolarHBondContact O-CG 3.36Å; W47-M51 PolarHBondContact O-N 3.35Å; L48-M51 PolarHBondContact O-N 3.46Å; M51-N53 PolarHBondContact O-N 3.36Å; M51-K54 CarbonylContact O-C 3.51Å; M51-K54 PolarHBondContact O-N 3.09Å; M51-L55 VanDerWaalsContact O-CB 3.27Å; M51-L55 WeakPolarHBondContact O-CB 3.48Å; M51-L55 PolarHBondContact O-N 3.32Å
52	F	46.8	Very low	45.1	Very low	135 Å²	135	119 Å²	119	59%	0.592	57%	0.573	S	S	*	*	H	α-helix	trans	-59.6	-46.8	179.5	-98.1	-94.8	0	0	0	112	L48 K54 L55 W56	L48-F52 WeakPolarHBondContact O-CD2 3.26Å; L48-F52 PolarHBondContact O-N 3.46Å; F52-K54 VanDerWaalsContact C-N 3.33Å; F52-K54 PolarHBondContact O-N 3.45Å; F52-L55 PolarHBondContact O-N 2.94Å; F52-W56 PolarHBondContact O-N 3.43Å
53	N	50.5	Low	45.9	Very low	120 Å²	120	122.9 Å²	122.9	64%	0.642	58%	0.576	S	S	*	*	H	α-helix	trans	-64.8	-35.4	177.2	-74	-15.7	0	0	0	112.5	R49 M51 S57	R49-N53 PolarHBondContact O-N 3.11Å; M51-N53 PolarHBondContact O-N 3.36Å; N53-S57 WeakPolarHBondContact O-CB 3.35Å; N53-S57 PolarHBondContact O-N 3.49Å; N53-S57 PolarHBondContact O-OG 3.01Å
54	K	44.3	Very low	46.8	Very low	158 Å²	158	120.2 Å²	120.2	69%	0.687	57%	0.57	S	S	*	*	H	α-helix	trans	-75.7	-25.7	177.1	-156.1	167	-170.2	172.7	0	113.1	L50 M51 F52 S57	L50-K54 WeakPolarHBondContact O-CB 3.35Å; L50-K54 PolarHBondContact O-N 3.38Å; M51-K54 CarbonylContact O-C 3.51Å; M51-K54 PolarHBondContact O-N 3.09Å; F52-K54 VanDerWaalsContact C-N 3.33Å; F52-K54 PolarHBondContact O-N 3.45Å; K54-S57 WeakPolarHBondContact CA-OG 3.34Å; K54-S57 PolarHBondContact O-OG 3.15Å
55	L	46.2	Very low	47.3	Very low	99 Å²	99	119.7 Å²	119.7	52%	0.518	57%	0.571	S	S	.	*	H	α-helix	trans	-76.4	-43.9	175	-165.2	68.8	0	0	0	111.2	M51 F52 S58 V61	M51-L55 VanDerWaalsContact O-CB 3.27Å; M51-L55 WeakPolarHBondContact O-CB 3.48Å; M51-L55 PolarHBondContact O-N 3.32Å; F52-L55 PolarHBondContact O-N 2.94Å; L55-S58 WeakPolarHBondContact O-CB 3.38Å; L55-S58 PolarHBondContact O-N 3.16Å; L55-V61 HydrophobicContact CD1-CG2 4.06Å; L55-V61 HydrophobicContact CG-CG2 4.38Å; L55-V61 WeakPolarHBondContact O-CG2 3.34Å
56	W	48.4	Very low	47.8	Very low	198 Å²	198	118.4 Å²	118.4	75%	0.75	57%	0.574	S	S	*	*	H	α-helix	trans	-75.3	-28	-178.1	-147.8	-94.3	0	0	0	113.9	F52 S58 R62	F52-W56 PolarHBondContact O-N 3.43Å; W56-S58 VanDerWaalsContact C-N 3.31Å; W56-R62 PolarHBondContact O-NH2 2.95Å
57	S	48.2	Very low	48.5	Very low	73 Å²	73	120.1 Å²	120.1	51%	0.51	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.6	-18.9	173.5	50.2	0	0	0	0	113.6	N53 K54 Q59 R62	N53-S57 WeakPolarHBondContact O-CB 3.35Å; N53-S57 PolarHBondContact O-N 3.49Å; N53-S57 PolarHBondContact O-OG 3.01Å; K54-S57 WeakPolarHBondContact CA-OG 3.34Å; K54-S57 PolarHBondContact O-OG 3.15Å; S57-Q59 PolarHBondContact O-N 2.71Å; S57-R62 PolarHBondContact O-NH2 3Å
58	S	52.1	Low	48.7	Very low	40 Å²	40	113.4 Å²	113.4	28%	0.28	56%	0.563	S	S	.	*			trans	-70.3	119	-176.8	-177.5	0	0	0	0	113.5	L55 W56 R60 V61 R62	L55-S58 WeakPolarHBondContact O-CB 3.38Å; L55-S58 PolarHBondContact O-N 3.16Å; W56-S58 VanDerWaalsContact C-N 3.31Å; S58-R60 PolarHBondContact O-N 3.08Å; S58-R60 VanDerWaalsContact O-N 3.1Å; S58-R60 PolarHBondContact OG-N 3.45Å; S58-V61 PolarHBondContact O-N 3.02Å; S58-V61 VanDerWaalsContact O-N 3.12Å; S58-R62 PolarHBondContact O-N 3.04Å
59	Q	47.9	Very low	49.3	Very low	140 Å²	140	112.4 Å²	112.4	65%	0.654	56%	0.563	S	S	*	*	H	α-helix	trans	-55.5	-27.2	172.8	-77	-170.2	-8.7	0	0	113.3	S57 R63	S57-Q59 PolarHBondContact O-N 2.71Å; Q59-R63 WeakPolarHBondContact O-CG 3.43Å; Q59-R63 PolarHBondContact O-N 3.01Å; Q59-R63 VanDerWaalsContact O-N 3.07Å
60	R	49	Very low	49.4	Very low	213 Å²	213	109.6 Å²	109.6	80%	0.804	56%	0.56	S	S	*	*	H	α-helix	trans	-69.1	-39.7	179.2	-58.8	-173	-168.5	-178	4.9	111.6	S58 R63 A64	S58-R60 PolarHBondContact O-N 3.08Å; S58-R60 VanDerWaalsContact O-N 3.1Å; S58-R60 PolarHBondContact OG-N 3.45Å; R60-R63 PolarHBondContact O-N 3.06Å; R60-A64 WeakPolarHBondContact O-CB 3.5Å; R60-A64 PolarHBondContact O-N 3.43Å
61	V	51.6	Low	49.7	Very low	57 Å²	57	107.7 Å²	107.7	35%	0.345	56%	0.556	S	S	.	*	H	α-helix	trans	-68.9	-42.1	178.3	179.9	0	0	0	0	110.5	L55 S58 R63 A64 A65	L55-V61 HydrophobicContact CD1-CG2 4.06Å; L55-V61 HydrophobicContact CG-CG2 4.38Å; L55-V61 WeakPolarHBondContact O-CG2 3.34Å; S58-V61 PolarHBondContact O-N 3.02Å; S58-V61 VanDerWaalsContact O-N 3.12Å; V61-R63 VanDerWaalsContact C-N 3.31Å; V61-R63 PolarHBondContact O-N 3.07Å; V61-A64 PolarHBondContact O-N 3.37Å; V61-A64 VanDerWaalsContact O-N 3.17Å; V61-A65 PolarHBondContact O-N 3.37Å
62	R	54	Low	49.9	Very low	154 Å²	154	107.8 Å²	107.8	58%	0.581	56%	0.562	S	S	*	*	H	α-helix	trans	-60.9	-37.1	174	-115.8	172.8	-78.7	172.3	-5.6	112.9	W56 S57 S58 C66	W56-R62 PolarHBondContact O-NH2 2.95Å; S57-R62 PolarHBondContact O-NH2 3Å; S58-R62 PolarHBondContact O-N 3.04Å; R62-C66 PolarHBondContact O-N 3.41Å
63	R	50.1	Low	50.4	Low	175 Å²	175	105.2 Å²	105.2	66%	0.66	56%	0.558	S	S	*	*	H	α-helix	trans	-70.4	-40.7	172.1	-71.6	179.1	-174.3	-168	2.9	112.4	Q59 R60 V61 A65 C66 V67	Q59-R63 WeakPolarHBondContact O-CG 3.43Å; Q59-R63 PolarHBondContact O-N 3.01Å; Q59-R63 VanDerWaalsContact O-N 3.07Å; R60-R63 PolarHBondContact O-N 3.06Å; V61-R63 VanDerWaalsContact C-N 3.31Å; V61-R63 PolarHBondContact O-N 3.07Å; R63-A65 PolarHBondContact O-N 3.15Å; R63-C66 PolarHBondContact O-N 2.94Å; R63-V67 WeakPolarHBondContact O-CG2 3.35Å; R63-V67 PolarHBondContact O-N 2.95Å
64	A	51.6	Low	50.5	Low	64 Å²	64	104.1 Å²	104.1	53%	0.529	55%	0.551	S	S	.	*	H	α-helix	trans	-62.2	-41.5	176.4	0	0	0	0	0	112.4	R60 V61 C66 V67 G68	R60-A64 WeakPolarHBondContact O-CB 3.5Å; R60-A64 PolarHBondContact O-N 3.43Å; V61-A64 PolarHBondContact O-N 3.37Å; V61-A64 VanDerWaalsContact O-N 3.17Å; A64-C66 VanDerWaalsContact C-N 3.33Å; A64-C66 PolarHBondContact O-N 3.12Å; A64-V67 PolarHBondContact O-N 2.81Å; A64-G68 PolarHBondContact O-N 3.48Å
65	A	48.5	Very low	50.8	Low	65 Å²	65	99.5 Å²	99.5	54%	0.537	54%	0.543	S	S	.	.	H	α-helix	trans	-61.4	-40.2	173.6	0	0	0	0	0	112.3	V61 R63 G68 S69	V61-A65 PolarHBondContact O-N 3.37Å; R63-A65 PolarHBondContact O-N 3.15Å; A65-G68 PolarHBondContact O-N 2.97Å; A65-S69 PolarHBondContact O-N 3.05Å; A65-S69 PolarHBondContact O-OG 2.67Å
66	C	51.3	Low	51	Low	85 Å²	85	97.1 Å²	97.1	57%	0.574	54%	0.537	S	S	*	.	H	α-helix	trans	-70.7	-33.1	177.8	-154.6	0	0	0	0	113	R62 R63 A64 S69 L70	R62-C66 PolarHBondContact O-N 3.41Å; R63-C66 PolarHBondContact O-N 2.94Å; A64-C66 VanDerWaalsContact C-N 3.33Å; A64-C66 PolarHBondContact O-N 3.12Å; C66-S69 PolarHBondContact O-OG 3.4Å; C66-S69 VanDerWaalsContact O-OG 3.04Å; C66-L70 WeakPolarHBondContact O-CB 3.37Å; C66-L70 PolarHBondContact O-N 2.85Å; C66-L70 VanDerWaalsContact O-N 3.09Å
67	V	56.1	Low	51	Low	99 Å²	99	92.9 Å²	92.9	60%	0.6	53%	0.529	S	S	*	.	H	α-helix	trans	-71.6	-35.9	170.4	172.6	0	0	0	0	111.1	R63 A64 L70 S71	R63-V67 WeakPolarHBondContact O-CG2 3.35Å; R63-V67 PolarHBondContact O-N 2.95Å; A64-V67 PolarHBondContact O-N 2.81Å; V67-L70 PolarHBondContact O-N 3.2Å; V67-S71 WeakPolarHBondContact O-CB 3.33Å; V67-S71 PolarHBondContact O-N 3.42Å
68	G	44.5	Very low	51.1	Low	35 Å²	35	94.4 Å²	94.4	36%	0.361	54%	0.535	S	S	.	.	H	α-helix	trans	-61.9	-48.2	173.7	0	0	0	0	0	112.6	A64 A65 S71 V72	A64-G68 PolarHBondContact O-N 3.48Å; A65-G68 PolarHBondContact O-N 2.97Å; G68-S71 WeakPolarHBondContact O-CB 3.34Å; G68-S71 PolarHBondContact O-N 2.88Å; G68-V72 WeakPolarHBondContact O-CG2 3.28Å; G68-V72 PolarHBondContact O-N 3.36Å
69	S	53.1	Low	50.7	Low	66 Å²	66	100 Å²	100	46%	0.462	55%	0.554	S	S	.	*	H	α-helix	trans	-64.4	-40.7	175.3	59.6	0	0	0	0	112.1	A65 C66 S71 V72 V73	A65-S69 PolarHBondContact O-N 3.05Å; A65-S69 PolarHBondContact O-OG 2.67Å; C66-S69 PolarHBondContact O-OG 3.4Å; C66-S69 VanDerWaalsContact O-OG 3.04Å; S69-S71 VanDerWaalsContact C-N 3.3Å; S69-S71 PolarHBondContact O-N 3.09Å; S69-V72 PolarHBondContact O-N 3.47Å; S69-V73 WeakPolarHBondContact O-CG2 3.25Å; S69-V73 PolarHBondContact O-N 3.47Å
70	L	50.8	Low	50.7	Low	106 Å²	106	96.2 Å²	96.2	56%	0.555	54%	0.542	S	S	*	.	H	α-helix	trans	-60.8	-38.6	174.4	-166.4	73.4	0	0	0	112.2	C66 V67 V73 L74	C66-L70 WeakPolarHBondContact O-CB 3.37Å; C66-L70 PolarHBondContact O-N 2.85Å; C66-L70 VanDerWaalsContact O-N 3.09Å; V67-L70 PolarHBondContact O-N 3.2Å; L70-V73 PolarHBondContact O-N 2.96Å; L70-L74 HydrophobicContact CG-CD1 4.32Å; L70-L74 WeakPolarHBondContact O-CB 3.41Å; L70-L74 WeakPolarHBondContact O-CG 3.43Å; L70-L74 PolarHBondContact O-N 3.02Å
71	S	51.1	Low	50.5	Low	76 Å²	76	89 Å²	89	53%	0.531	53%	0.528	S	S	.	.	H	α-helix	trans	-66.5	-40.6	176.1	-170	0	0	0	0	112.4	V67 G68 S69 L74 A75	V67-S71 WeakPolarHBondContact O-CB 3.33Å; V67-S71 PolarHBondContact O-N 3.42Å; G68-S71 WeakPolarHBondContact O-CB 3.34Å; G68-S71 PolarHBondContact O-N 2.88Å; S69-S71 VanDerWaalsContact C-N 3.3Å; S69-S71 PolarHBondContact O-N 3.09Å; S71-L74 PolarHBondContact O-N 3.45Å; S71-A75 WeakPolarHBondContact O-CB 3.21Å; S71-A75 PolarHBondContact O-N 2.85Å
72	V	52.5	Low	49.9	Very low	105 Å²	105	88.1 Å²	88.1	64%	0.636	53%	0.531	S	S	*	.	H	α-helix	trans	-65.4	-40.7	173.8	172.7	0	0	0	0	111.5	G68 S69 A75 A76	G68-V72 WeakPolarHBondContact O-CG2 3.28Å; G68-V72 PolarHBondContact O-N 3.36Å; S69-V72 PolarHBondContact O-N 3.47Å; V72-A75 PolarHBondContact O-N 2.86Å; V72-A76 PolarHBondContact O-N 3.12Å
73	V	56.6	Low	49.2	Very low	82 Å²	82	88.2 Å²	88.2	50%	0.497	53%	0.531	S	S	.	.	H	α-helix	trans	-64.7	-42.2	174.9	170.3	0	0	0	0	111.4	S69 L70 A76 L77	S69-V73 WeakPolarHBondContact O-CG2 3.25Å; S69-V73 PolarHBondContact O-N 3.47Å; L70-V73 PolarHBondContact O-N 2.96Å; V73-A76 PolarHBondContact O-N 2.96Å; V73-L77 HydrophobicContact CG1-CD1 4.07Å; V73-L77 WeakPolarHBondContact O-CG 3.44Å; V73-L77 PolarHBondContact O-N 2.91Å
74	L	52.8	Low	48.8	Very low	96 Å²	96	84.4 Å²	84.4	50%	0.503	53%	0.528	S	S	.	.	H	α-helix	trans	-63.3	-41.4	174.2	-80.3	163.4	0	0	0	112.2	L70 S71 A76 L77 V78	L70-L74 HydrophobicContact CG-CD1 4.32Å; L70-L74 WeakPolarHBondContact O-CB 3.41Å; L70-L74 WeakPolarHBondContact O-CG 3.43Å; L70-L74 PolarHBondContact O-N 3.02Å; S71-L74 PolarHBondContact O-N 3.45Å; L74-A76 VanDerWaalsContact C-N 3.33Å; L74-A76 PolarHBondContact O-N 3.46Å; L74-L77 PolarHBondContact O-N 3.17Å; L74-V78 WeakPolarHBondContact O-CG2 3.41Å; L74-V78 PolarHBondContact O-N 2.92Å
75	A	50.1	Low	48.3	Very low	62 Å²	62	84.3 Å²	84.3	51%	0.512	53%	0.526	S	S	.	.	H	α-helix	trans	-63.1	-37.8	174.9	0	0	0	0	0	112.4	S71 V72 K79	S71-A75 WeakPolarHBondContact O-CB 3.21Å; S71-A75 PolarHBondContact O-N 2.85Å; V72-A75 PolarHBondContact O-N 2.86Å; A75-K79 WeakPolarHBondContact O-CB 3.38Å; A75-K79 PolarHBondContact O-N 3.41Å; A75-K79 VanDerWaalsContact O-N 3.16Å
76	A	49.8	Very low	47.9	Very low	48 Å²	48	87 Å²	87	40%	0.397	53%	0.528	S	S	.	.	H	α-helix	trans	-65	-46.7	173	0	0	0	0	0	111.8	V72 V73 L74 V78 K79 C80	V72-A76 PolarHBondContact O-N 3.12Å; V73-A76 PolarHBondContact O-N 2.96Å; L74-A76 VanDerWaalsContact C-N 3.33Å; L74-A76 PolarHBondContact O-N 3.46Å; A76-V78 PolarHBondContact O-N 3.29Å; A76-K79 WeakPolarHBondContact O-CB 3.32Å; A76-K79 PolarHBondContact O-N 3.3Å; A76-K79 VanDerWaalsContact O-N 3.09Å; A76-C80 PolarHBondContact O-N 2.9Å; A76-C80 PolarHBondContact O-SG 2.94Å; A76-C80 VanDerWaalsContact O-SG 3.36Å
77	L	49.7	Very low	47.4	Very low	109 Å²	109	86 Å²	86	57%	0.571	53%	0.526	S	S	*	.	H	α-helix	trans	-61.3	-41.9	178.5	-72.1	169.1	0	0	0	112.7	V73 L74 K79 C80 A81	V73-L77 HydrophobicContact CG1-CD1 4.07Å; V73-L77 WeakPolarHBondContact O-CG 3.44Å; V73-L77 PolarHBondContact O-N 2.91Å; L74-L77 PolarHBondContact O-N 3.17Å; L77-K79 VanDerWaalsContact C-N 3.29Å; L77-K79 PolarHBondContact O-N 2.94Å; L77-C80 PolarHBondContact O-N 3.39Å; L77-A81 PolarHBondContact O-N 2.89Å
78	V	49.6	Very low	46.8	Very low	105 Å²	105	85.7 Å²	85.7	64%	0.636	53%	0.528	S	S	*	.	H	α-helix	trans	-62.2	-37.5	174	170.2	0	0	0	0	111.2	L74 A76 A81 G82	L74-V78 WeakPolarHBondContact O-CG2 3.41Å; L74-V78 PolarHBondContact O-N 2.92Å; A76-V78 PolarHBondContact O-N 3.29Å; V78-A81 PolarHBondContact O-N 2.88Å; V78-G82 PolarHBondContact O-N 3.37Å; V78-G82 VanDerWaalsContact O-N 3.11Å
79	K	44.9	Very low	46.6	Very low	157 Å²	157	88.6 Å²	88.6	68%	0.683	54%	0.543	S	S	*	.	H	α-helix	trans	-70.2	-39.1	178.1	-157.8	175.2	-176.3	-173.7	0	112.4	A75 A76 L77 A81 G82 W83	A75-K79 WeakPolarHBondContact O-CB 3.38Å; A75-K79 PolarHBondContact O-N 3.41Å; A75-K79 VanDerWaalsContact O-N 3.16Å; A76-K79 WeakPolarHBondContact O-CB 3.32Å; A76-K79 PolarHBondContact O-N 3.3Å; A76-K79 VanDerWaalsContact O-N 3.09Å; L77-K79 VanDerWaalsContact C-N 3.29Å; L77-K79 PolarHBondContact O-N 2.94Å; K79-A81 VanDerWaalsContact C-N 3.33Å; K79-A81 PolarHBondContact O-N 3.49Å; K79-G82 PolarHBondContact O-N 2.81Å; K79-W83 PolarHBondContact O-N 3.46Å
80	C	46.1	Very low	46	Very low	61 Å²	61	89.7 Å²	89.7	41%	0.412	55%	0.55	S	S	.	*	H	α-helix	trans	-62.6	-38.5	171.9	-64.9	0	0	0	0	112.4	A76 L77 G82 W83	A76-C80 PolarHBondContact O-N 2.9Å; A76-C80 PolarHBondContact O-SG 2.94Å; A76-C80 VanDerWaalsContact O-SG 3.36Å; L77-C80 PolarHBondContact O-N 3.39Å; C80-G82 VanDerWaalsContact C-N 3.3Å; C80-G82 PolarHBondContact O-N 3.16Å; C80-W83 PolarHBondContact O-N 2.83Å
81	A	46.4	Very low	45.3	Very low	62 Å²	62	89.5 Å²	89.5	51%	0.512	56%	0.558	S	S	.	*	H	α-helix	trans	-68.9	-25.7	176.1	0	0	0	0	0	113.5	L77 V78 K79 T84	L77-A81 PolarHBondContact O-N 2.89Å; V78-A81 PolarHBondContact O-N 2.88Å; K79-A81 VanDerWaalsContact C-N 3.33Å; K79-A81 PolarHBondContact O-N 3.49Å; A81-T84 PolarHBondContact O-OG1 2.84Å
82	G	39.1	Very low	44.6	Very low	38 Å²	38	91.9 Å²	91.9	39%	0.392	58%	0.575	S	S	.	*	H	α-helix	trans	-66.4	-46.9	171.3	0	0	0	0	0	112.5	V78 K79 C80 T84 A85	V78-G82 PolarHBondContact O-N 3.37Å; V78-G82 VanDerWaalsContact O-N 3.11Å; K79-G82 PolarHBondContact O-N 2.81Å; C80-G82 VanDerWaalsContact C-N 3.3Å; C80-G82 PolarHBondContact O-N 3.16Å; G82-T84 VanDerWaalsContact C-N 3.32Å; G82-T84 PolarHBondContact O-N 3.35Å; G82-A85 WeakPolarHBondContact O-CB 3.35Å; G82-A85 PolarHBondContact O-N 2.97Å; G82-A85 VanDerWaalsContact O-N 3.08Å
83	W	38.9	Very low	43.7	Very low	156 Å²	156	92.7 Å²	92.7	59%	0.591	59%	0.585	S	S	*	*	H	α-helix	trans	-66	-29.8	-175.7	-107.8	-21.9	0	0	0	114.1	K79 C80 A85 E86 A87	K79-W83 PolarHBondContact O-N 3.46Å; C80-W83 PolarHBondContact O-N 2.83Å; W83-A85 PolarHBondContact O-N 3.25Å; W83-E86 VanDerWaalsContact CD1-OE2 3.31Å; W83-E86 PolarHBondContact O-N 2.98Å; W83-A87 WeakPolarHBondContact O-CB 3.42Å; W83-A87 PolarHBondContact O-N 3.04Å
84	T	41.8	Very low	42.9	Very low	96 Å²	96	92.9 Å²	92.9	59%	0.589	60%	0.595	S	S	*	*	H	α-helix	trans	-67	-21.8	174.9	48.9	0	0	0	0	113.5	A81 G82 S88	A81-T84 PolarHBondContact O-OG1 2.84Å; G82-T84 VanDerWaalsContact C-N 3.32Å; G82-T84 PolarHBondContact O-N 3.35Å; T84-S88 PolarHBondContact O-N 2.86Å; T84-S88 PolarHBondContact O-OG 3.36Å
85	A	40.5	Very low	42	Very low	61 Å²	61	95.1 Å²	95.1	50%	0.504	61%	0.608	S	S	.	*	H	α-helix	trans	-77.6	-36.4	173.2	0	0	0	0	0	112.1	G82 W83 S88 S89	G82-A85 WeakPolarHBondContact O-CB 3.35Å; G82-A85 PolarHBondContact O-N 2.97Å; G82-A85 VanDerWaalsContact O-N 3.08Å; W83-A85 PolarHBondContact O-N 3.25Å; A85-S88 PolarHBondContact O-OG 3.39Å; A85-S88 VanDerWaalsContact O-OG 3.13Å; A85-S89 PolarHBondContact O-N 3.45Å
86	E	39.3	Very low	41.6	Very low	122 Å²	122	98.9 Å²	98.9	57%	0.57	62%	0.619	S	S	*	*	H	α-helix	trans	-74.2	-38.8	177	-64.6	-178.6	138.7	0	0	111.5	W83 S88 S89 S90	W83-E86 VanDerWaalsContact CD1-OE2 3.31Å; W83-E86 PolarHBondContact O-N 2.98Å; E86-S88 VanDerWaalsContact C-N 3.26Å; E86-S88 PolarHBondContact O-N 3.39Å; E86-S89 PolarHBondContact O-N 3.28Å; E86-S89 PolarHBondContact O-OG 2.87Å; E86-S90 PolarHBondContact O-OG 2.92Å
87	A	42.1	Very low	40.9	Very low	64 Å²	64	103.7 Å²	103.7	53%	0.529	64%	0.644	S	S	.	*	H	α-helix	trans	-63.7	-26.5	174.6	0	0	0	0	0	113.9	W83 S90	W83-A87 WeakPolarHBondContact O-CB 3.42Å; W83-A87 PolarHBondContact O-N 3.04Å; A87-S90 PolarHBondContact O-OG 2.99Å
88	S	42.3	Very low	40.5	Very low	93 Å²	93	106.3 Å²	106.3	65%	0.65	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-8.1	177.6	45.8	0	0	0	0	114.1	T84 A85 E86	T84-S88 PolarHBondContact O-N 2.86Å; T84-S88 PolarHBondContact O-OG 3.36Å; A85-S88 PolarHBondContact O-OG 3.39Å; A85-S88 VanDerWaalsContact O-OG 3.13Å; E86-S88 VanDerWaalsContact C-N 3.26Å; E86-S88 PolarHBondContact O-N 3.39Å
89	S	41.3	Very low	39.8	Very low	96 Å²	96	106.5 Å²	106.5	67%	0.671	66%	0.663	S	S	*	*	S	Bend	trans	-95.9	-4.2	176	68.6	0	0	0	0	114.9	A85 E86	A85-S89 PolarHBondContact O-N 3.45Å; E86-S89 PolarHBondContact O-N 3.28Å; E86-S89 PolarHBondContact O-OG 2.87Å
90	S	39.4	Very low	39.8	Very low	88 Å²	88	104.7 Å²	104.7	62%	0.615	67%	0.668	S	S	*	*	S	Bend	trans	-122.8	14.3	-160.2	46.6	0	0	0	0	116	E86 A87	E86-S90 PolarHBondContact O-OG 2.92Å; A87-S90 PolarHBondContact O-OG 2.99Å
91	S	37.3	Very low	39.9	Very low	103 Å²	103	107 Å²	107	72%	0.72	69%	0.685	S	S	*	*			trans	-129.6	97.2	-179.9	43.6	0	0	0	0	113.5
92	S	36.3	Very low	39.7	Very low	125 Å²	125	109.3 Å²	109.3	87%	0.874	70%	0.695	S	S	*	*			trans	-148	42.1	-179.9	56.7	0	0	0	0	115.5
93	S	32.5	Very low	40.3	Very low	122 Å²	122	110.3 Å²	110.3	85%	0.853	70%	0.695	S	S	*	*			trans	-150.1	158.5	161.6	63.3	0	0	0	0	112.9
94	A	40	Very low	41.1	Very low	86 Å²	86	107.9 Å²	107.9	71%	0.711	70%	0.7	S	S	*	*			trans	-63.2	170.5	-177.3	0	0	0	0	0	113.7
95	D	33.8	Very low	41.4	Very low	143 Å²	143	110 Å²	110	77%	0.765	71%	0.707	S	S	*	*			cis	-151.3	-177.4	20.6	-144	-31.3	0	0	0	114.1
96	N	42.7	Very low	41.9	Very low	141 Å²	141	112.6 Å²	112.6	75%	0.754	71%	0.708	S	S	*	*			trans	-88.6	138.6	-162	-66.3	-94.1	0	0	0	115.9
97	T	35.3	Very low	42.4	Very low	149 Å²	149	114.3 Å²	114.3	91%	0.914	71%	0.714	S	S	*	*			trans	-159.5	171.1	137.6	-0.9	0	0	0	0	111.3
98	L	41.3	Very low	43	Very low	164 Å²	164	115.8 Å²	115.8	86%	0.859	72%	0.716	S	S	*	*			trans	-95.7	145.7	-155.9	-120.2	75.2	0	0	0	117
99	S	35.5	Very low	43.5	Very low	109 Å²	109	114.8 Å²	114.8	76%	0.762	71%	0.709	S	S	*	*			trans	74.7	153.7	154.5	79	0	0	0	0	119.9
100	P	43.4	Very low	44	Very low	119 Å²	119	114.5 Å²	114.5	77%	0.773	70%	0.7	S	S	*	*			cis	-112.1	164.4	-32	38.3	-28	0	0	0	112
101	S	48	Very low	44.5	Very low	111 Å²	111	111.5 Å²	111.5	78%	0.776	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-69.6	127.1	-179.5	54.6	0	0	0	0	112.7
102	P	43.8	Very low	45.4	Very low	110 Å²	110	108.7 Å²	108.7	71%	0.714	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-67.7	143.2	168.4	29.8	-33.9	0	0	0	110.3
103	S	50.7	Low	46.4	Very low	58 Å²	58	105.1 Å²	105.1	41%	0.406	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-74.8	147.2	176	62.8	0	0	0	0	110.7	L105 H106	S103-L105 PolarHBondContact O-N 3.1Å; S103-H106 PolarHBondContact O-N 2.79Å
104	P	54.9	Low	47.8	Very low	105 Å²	105	105.5 Å²	105.5	68%	0.682	63%	0.628	S	S	*	*	H	α-helix	trans	-62.4	-18.8	-176.8	23.7	-34	0	0	0	113.6	V108	P104-V108 WeakPolarHBondContact O-CG2 3.35Å; P104-V108 PolarHBondContact O-N 3.14Å; P104-V108 VanDerWaalsContact O-N 3.15Å
105	L	49.2	Very low	48.8	Very low	142 Å²	142	105.7 Å²	105.7	74%	0.743	62%	0.617	S	S	*	*	H	α-helix	trans	-68.5	-34.1	173.7	-68	172.6	0	0	0	112.9	S103 S109	S103-L105 PolarHBondContact O-N 3.1Å; L105-S109 WeakPolarHBondContact O-CB 3.44Å; L105-S109 PolarHBondContact O-N 3.29Å
106	H	50.6	Low	50.1	Low	115 Å²	115	105 Å²	105	53%	0.532	61%	0.613	S	S	.	*	H	α-helix	trans	-67.3	-48.2	173.8	-94.3	-83.6	0	0	0	111.1	S103 V108 S109 D110	S103-H106 PolarHBondContact O-N 2.79Å; H106-V108 VanDerWaalsContact C-N 3.28Å; H106-V108 PolarHBondContact O-N 3.01Å; H106-S109 CarbonylContact O-C 3.57Å; H106-S109 WeakPolarHBondContact O-CA 3.45Å; H106-S109 WeakPolarHBondContact O-CB 3.33Å; H106-S109 PolarHBondContact O-N 3.39Å; H106-D110 VanDerWaalsContact O-CG 3.25Å; H106-D110 PolarHBondContact O-N 3.1Å
107	F	51.1	Low	51.2	Low	157 Å²	157	104.4 Å²	104.4	69%	0.689	61%	0.605	S	S	*	*	H	α-helix	trans	-59.5	-37.4	179.2	-169.2	-100	0	0	0	112.9	C111	F107-C111 VanDerWaalsContact O-CB 3.25Å; F107-C111 WeakPolarHBondContact O-CB 3.28Å; F107-C111 PolarHBondContact O-N 3.42Å
108	V	54	Low	52.6	Low	96 Å²	96	101.1 Å²	101.1	58%	0.582	59%	0.585	S	S	*	*	H	α-helix	trans	-69.9	-38	173	172.8	0	0	0	0	111.9	P104 H106 A112	P104-V108 WeakPolarHBondContact O-CG2 3.35Å; P104-V108 PolarHBondContact O-N 3.14Å; P104-V108 VanDerWaalsContact O-N 3.15Å; H106-V108 VanDerWaalsContact C-N 3.28Å; H106-V108 PolarHBondContact O-N 3.01Å; V108-A112 WeakPolarHBondContact O-CB 3.36Å; V108-A112 PolarHBondContact O-N 3.04Å
109	S	53.2	Low	53.7	Low	71 Å²	71	96.7 Å²	96.7	50%	0.497	57%	0.567	S	S	.	*	H	α-helix	trans	-62.8	-45.7	174.6	-175.2	0	0	0	0	112	L105 H106 A112 A113	L105-S109 WeakPolarHBondContact O-CB 3.44Å; L105-S109 PolarHBondContact O-N 3.29Å; H106-S109 CarbonylContact O-C 3.57Å; H106-S109 WeakPolarHBondContact O-CA 3.45Å; H106-S109 WeakPolarHBondContact O-CB 3.33Å; H106-S109 PolarHBondContact O-N 3.39Å; S109-A112 PolarHBondContact O-N 2.73Å; S109-A113 WeakPolarHBondContact O-CB 3.48Å; S109-A113 PolarHBondContact O-N 2.84Å
110	D	50.2	Low	55.3	Low	91 Å²	91	100.2 Å²	100.2	49%	0.487	56%	0.564	S	S	.	*	H	α-helix	trans	-69.6	-42.5	-177.6	-59.9	-29.8	0	0	0	111	H106 A112 A113 E114	H106-D110 VanDerWaalsContact O-CG 3.25Å; H106-D110 PolarHBondContact O-N 3.1Å; D110-A112 VanDerWaalsContact C-N 3.34Å; D110-A112 PolarHBondContact O-N 3.42Å; D110-A113 WeakPolarHBondContact O-CB 3.49Å; D110-A113 PolarHBondContact O-N 2.86Å; D110-A113 VanDerWaalsContact O-N 3.16Å; D110-E114 PolarHBondContact O-N 3.47Å
111	C	51.1	Low	56.4	Low	25 Å²	25	96.5 Å²	96.5	17%	0.169	54%	0.541	C	S	.	.	H	α-helix	trans	-65.1	-35.7	173.8	-173.1	0	0	0	0	112.5	F107 L115	F107-C111 VanDerWaalsContact O-CB 3.25Å; F107-C111 WeakPolarHBondContact O-CB 3.28Å; F107-C111 PolarHBondContact O-N 3.42Å; C111-L115 WeakPolarHBondContact O-CB 3.2Å; C111-L115 WeakPolarHBondContact O-CG 3.42Å; C111-L115 PolarHBondContact O-N 2.97Å
112	A	56.7	Low	57.4	Low	44 Å²	44	93.4 Å²	93.4	36%	0.364	52%	0.521	S	S	.	.	H	α-helix	trans	-68.5	-36.1	171.5	0	0	0	0	0	112.2	V108 S109 D110 L115 L116	V108-A112 WeakPolarHBondContact O-CB 3.36Å; V108-A112 PolarHBondContact O-N 3.04Å; S109-A112 PolarHBondContact O-N 2.73Å; D110-A112 VanDerWaalsContact C-N 3.34Å; D110-A112 PolarHBondContact O-N 3.42Å; A112-L115 PolarHBondContact O-N 3.23Å; A112-L116 WeakPolarHBondContact O-CB 3.29Å; A112-L116 PolarHBondContact O-N 3.29Å
113	A	56.8	Low	58.8	Low	50 Å²	50	93.4 Å²	93.4	41%	0.413	52%	0.515	S	S	.	.	H	α-helix	trans	-66.9	-41.2	174.9	0	0	0	0	0	111.8	S109 D110 L116 Q117	S109-A113 WeakPolarHBondContact O-CB 3.48Å; S109-A113 PolarHBondContact O-N 2.84Å; D110-A113 WeakPolarHBondContact O-CB 3.49Å; D110-A113 PolarHBondContact O-N 2.86Å; D110-A113 VanDerWaalsContact O-N 3.16Å; A113-L116 PolarHBondContact O-N 2.95Å; A113-Q117 WeakPolarHBondContact O-CB 3.38Å; A113-Q117 PolarHBondContact O-N 3.39Å
114	E	62.1	Low	59.8	Low	130 Å²	130	93.5 Å²	93.5	61%	0.607	52%	0.515	S	S	*	.	H	α-helix	trans	-64.6	-40	172.5	-72.3	-162.2	141.7	0	0	112.4	D110 Q117 T118	D110-E114 PolarHBondContact O-N 3.47Å; E114-Q117 PolarHBondContact O-N 2.92Å; E114-T118 WeakPolarHBondContact O-CB 3.3Å; E114-T118 WeakPolarHBondContact O-CG2 3.45Å; E114-T118 PolarHBondContact O-N 3.49Å; E114-T118 PolarHBondContact O-OG1 3Å
115	L	59.9	Low	60.8	Low	90 Å²	90	91 Å²	91	47%	0.471	50%	0.496	S	S	.	.	H	α-helix	trans	-65.4	-40.3	174.3	-80.2	168	0	0	0	112.2	C111 A112 T118 C119	C111-L115 WeakPolarHBondContact O-CB 3.2Å; C111-L115 WeakPolarHBondContact O-CG 3.42Å; C111-L115 PolarHBondContact O-N 2.97Å; A112-L115 PolarHBondContact O-N 3.23Å; L115-T118 WeakPolarHBondContact CA-OG1 3.47Å; L115-T118 PolarHBondContact O-OG1 3.12Å; L115-T118 VanDerWaalsContact O-OG1 3.14Å; L115-C119 VanDerWaalsContact O-CB 3.29Å; L115-C119 WeakPolarHBondContact O-CB 3.35Å; L115-C119 PolarHBondContact O-N 2.92Å; L115-C119 PolarHBondContact O-SG 2.87Å
116	L	62.2	Low	62.2	Low	128 Å²	128	87.1 Å²	87.1	67%	0.67	48%	0.476	S	S	*	.	H	α-helix	trans	-64.2	-46.8	172.9	-86.8	161.3	0	0	0	111.5	A112 A113 C119 W120	A112-L116 WeakPolarHBondContact O-CB 3.29Å; A112-L116 PolarHBondContact O-N 3.29Å; A113-L116 PolarHBondContact O-N 2.95Å; L116-C119 PolarHBondContact O-N 3.45Å; L116-W120 VanDerWaalsContact O-CB 3.22Å; L116-W120 WeakPolarHBondContact O-CB 3.42Å; L116-W120 PolarHBondContact O-N 2.71Å
117	Q	65.5	Low	63.4	Low	129 Å²	129	88.5 Å²	88.5	60%	0.603	48%	0.481	S	S	*	.	H	α-helix	trans	-67	-38.8	-178.6	-174.6	67.6	-11.6	0	0	112.2	A113 E114 W120 S121	A113-Q117 WeakPolarHBondContact O-CB 3.38Å; A113-Q117 PolarHBondContact O-N 3.39Å; E114-Q117 PolarHBondContact O-N 2.92Å; Q117-W120 PolarHBondContact O-N 3.3Å; Q117-S121 WeakPolarHBondContact O-CB 3.43Å; Q117-S121 PolarHBondContact O-N 3.46Å
118	T	65.7	Low	64.6	Low	79 Å²	79	83.6 Å²	83.6	49%	0.485	47%	0.469	S	S	.	.	H	α-helix	trans	-68.3	-44.1	174.5	49.9	0	0	0	0	111.6	E114 L115 S121 A122	E114-T118 WeakPolarHBondContact O-CB 3.3Å; E114-T118 WeakPolarHBondContact O-CG2 3.45Å; E114-T118 PolarHBondContact O-N 3.49Å; E114-T118 PolarHBondContact O-OG1 3Å; L115-T118 WeakPolarHBondContact CA-OG1 3.47Å; L115-T118 PolarHBondContact O-OG1 3.12Å; L115-T118 VanDerWaalsContact O-OG1 3.14Å; T118-S121 PolarHBondContact O-N 3Å; T118-S121 PolarHBondContact O-OG 3.45Å; T118-A122 PolarHBondContact O-N 3.03Å; T118-A122 VanDerWaalsContact O-N 3.1Å
119	C	63	Low	65.7	Low	71 Å²	71	79.4 Å²	79.4	48%	0.48	44%	0.443	S	S	.	.	H	α-helix	trans	-60	-44.6	172.3	-69.7	0	0	0	0	112	L115 L116 S121 A122 L123	L115-C119 VanDerWaalsContact O-CB 3.29Å; L115-C119 WeakPolarHBondContact O-CB 3.35Å; L115-C119 PolarHBondContact O-N 2.92Å; L115-C119 PolarHBondContact O-SG 2.87Å; L116-C119 PolarHBondContact O-N 3.45Å; C119-S121 VanDerWaalsContact C-N 3.34Å; C119-S121 PolarHBondContact O-N 2.95Å; C119-A122 PolarHBondContact O-N 3.03Å; C119-A122 VanDerWaalsContact O-N 3.14Å; C119-L123 WeakPolarHBondContact O-CB 3.24Å; C119-L123 WeakPolarHBondContact O-CG 3.41Å; C119-L123 PolarHBondContact O-N 3.36Å
120	W	68.6	Low	67.1	Low	184 Å²	184	77 Å²	77	70%	0.697	43%	0.426	S	S	*	.	H	α-helix	trans	-61.2	-41.6	176.7	-168.6	-101.6	0	0	0	111.6	L116 Q117 A122 L123 S124	L116-W120 VanDerWaalsContact O-CB 3.22Å; L116-W120 WeakPolarHBondContact O-CB 3.42Å; L116-W120 PolarHBondContact O-N 2.71Å; Q117-W120 PolarHBondContact O-N 3.3Å; W120-A122 VanDerWaalsContact C-N 3.27Å; W120-A122 PolarHBondContact O-N 3.4Å; W120-L123 PolarHBondContact O-N 2.73Å; W120-S124 WeakPolarHBondContact O-CB 3.4Å; W120-S124 PolarHBondContact O-N 2.89Å; W120-S124 PolarHBondContact O-OG 3.28Å; W120-S124 VanDerWaalsContact O-OG 3.1Å
121	S	66.6	Low	68.3	Low	41 Å²	41	74.6 Å²	74.6	29%	0.287	42%	0.415	S	S	.	.	H	α-helix	trans	-66.4	-24.5	175.6	81.9	0	0	0	0	114.2	Q117 T118 C119 S124 L125	Q117-S121 WeakPolarHBondContact O-CB 3.43Å; Q117-S121 PolarHBondContact O-N 3.46Å; T118-S121 PolarHBondContact O-N 3Å; T118-S121 PolarHBondContact O-OG 3.45Å; C119-S121 VanDerWaalsContact C-N 3.34Å; C119-S121 PolarHBondContact O-N 2.95Å; S121-S124 PolarHBondContact O-OG 3.37Å; S121-L125 WeakPolarHBondContact O-CB 3.41Å
122	A	68.9	Low	69.5	Low	45 Å²	45	75.4 Å²	75.4	37%	0.372	42%	0.424	S	S	.	.	H	α-helix	trans	-84.5	-40.8	174.7	0	0	0	0	0	111.5	T118 C119 W120 L125 L126	T118-A122 PolarHBondContact O-N 3.03Å; T118-A122 VanDerWaalsContact O-N 3.1Å; C119-A122 PolarHBondContact O-N 3.03Å; C119-A122 VanDerWaalsContact O-N 3.14Å; W120-A122 VanDerWaalsContact C-N 3.27Å; W120-A122 PolarHBondContact O-N 3.4Å; A122-L125 PolarHBondContact O-N 2.97Å; A122-L126 WeakPolarHBondContact O-CG 3.34Å; A122-L126 PolarHBondContact O-N 2.92Å
123	L	74.8	Confident	70.7	Confident	111 Å²	111	73.5 Å²	73.5	58%	0.581	41%	0.407	S	S	*	.	H	α-helix	trans	-66.1	-42.6	176.5	-73.5	167.4	0	0	0	112	C119 W120 L125 L126 F127	C119-L123 WeakPolarHBondContact O-CB 3.24Å; C119-L123 WeakPolarHBondContact O-CG 3.41Å; C119-L123 PolarHBondContact O-N 3.36Å; W120-L123 PolarHBondContact O-N 2.73Å; L123-L125 VanDerWaalsContact C-N 3.31Å; L123-L125 PolarHBondContact O-N 3.47Å; L123-L126 PolarHBondContact O-N 3.03Å; L123-F127 VanDerWaalsContact O-CB 3.28Å; L123-F127 WeakPolarHBondContact O-CB 3.36Å; L123-F127 PolarHBondContact O-N 3.26Å
124	S	71.4	Confident	72.1	Confident	59 Å²	59	73.3 Å²	73.3	41%	0.413	40%	0.397	S	S	.	.	H	α-helix	trans	-64.5	-36.4	177	65.5	0	0	0	0	112.2	W120 S121 A128	W120-S124 WeakPolarHBondContact O-CB 3.4Å; W120-S124 PolarHBondContact O-N 2.89Å; W120-S124 PolarHBondContact O-OG 3.28Å; W120-S124 VanDerWaalsContact O-OG 3.1Å; S121-S124 PolarHBondContact O-OG 3.37Å; S124-A128 WeakPolarHBondContact O-CB 3.36Å; S124-A128 PolarHBondContact O-N 3.4Å
125	L	75.6	Confident	72.8	Confident	54 Å²	54	75.4 Å²	75.4	28%	0.283	40%	0.4	S	S	.	.	H	α-helix	trans	-67.8	-46	175	-169.6	69.6	0	0	0	111.9	S121 A122 L123 F127 A128 L129 S219	S121-L125 WeakPolarHBondContact O-CB 3.41Å; A122-L125 PolarHBondContact O-N 2.97Å; L123-L125 VanDerWaalsContact C-N 3.31Å; L123-L125 PolarHBondContact O-N 3.47Å; L125-F127 VanDerWaalsContact C-N 3.34Å; L125-F127 PolarHBondContact O-N 2.86Å; L125-A128 PolarHBondContact O-N 3.29Å; L125-L129 WeakPolarHBondContact O-CG 3.49Å; L125-L129 PolarHBondContact O-N 3.41Å; L125-S219 WeakPolarHBondContact CD2-O 3.42Å
126	L	77.6	Confident	73.6	Confident	59 Å²	59	72.3 Å²	72.3	31%	0.309	38%	0.384	S	S	.	.	H	α-helix	trans	-62	-42	175.5	-72.8	168.4	0	0	0	111.4	A122 L123 L129 V130 L220 V231 V235	A122-L126 WeakPolarHBondContact O-CG 3.34Å; A122-L126 PolarHBondContact O-N 2.92Å; L123-L126 PolarHBondContact O-N 3.03Å; L126-L129 PolarHBondContact O-N 2.99Å; L126-V130 WeakPolarHBondContact O-CG2 3.3Å; L126-V130 PolarHBondContact O-N 3.27Å; L126-L220 HydrophobicContact CD2-CD2 4.02Å; L126-V231 HydrophobicContact CD2-CG1 3.93Å; L126-V235 HydrophobicContact CD2-CG2 3.95Å
127	F	76.8	Confident	74.4	Confident	145 Å²	145	66.2 Å²	66.2	64%	0.636	35%	0.352	S	S	*	.	H	α-helix	trans	-60.6	-47.2	174.8	-178.1	-100.2	0	0	0	111.8	L123 L125 L129 V130 C131	L123-F127 VanDerWaalsContact O-CB 3.28Å; L123-F127 WeakPolarHBondContact O-CB 3.36Å; L123-F127 PolarHBondContact O-N 3.26Å; L125-F127 VanDerWaalsContact C-N 3.34Å; L125-F127 PolarHBondContact O-N 2.86Å; F127-L129 VanDerWaalsContact C-N 3.31Å; F127-L129 PolarHBondContact O-N 3.02Å; F127-V130 PolarHBondContact O-N 2.69Å; F127-C131 PolarHBondContact O-N 3.26Å; F127-C131 PolarHBondContact O-SG 2.91Å; F127-C131 VanDerWaalsContact O-SG 3.34Å
128	A	75.4	Confident	74.9	Confident	53 Å²	53	61 Å²	61	44%	0.438	33%	0.33	S	S	.	.	H	α-helix	trans	-59.5	-39.1	176.9	0	0	0	0	0	112.7	S124 L125 C131 A132	S124-A128 WeakPolarHBondContact O-CB 3.36Å; S124-A128 PolarHBondContact O-N 3.4Å; L125-A128 PolarHBondContact O-N 3.29Å; A128-C131 PolarHBondContact O-N 3.09Å; A128-A132 PolarHBondContact O-N 3.44Å
129	L	78.3	Confident	75.3	Confident	8 Å²	8	62.7 Å²	62.7	4%	0.042	33%	0.328	C	S	.	.	H	α-helix	trans	-70.6	-37.8	175.6	-64.8	179.5	0	0	0	112.5	L125 L126 F127 C131 A132 F133 L220 V235	L125-L129 WeakPolarHBondContact O-CG 3.49Å; L125-L129 PolarHBondContact O-N 3.41Å; L126-L129 PolarHBondContact O-N 2.99Å; F127-L129 VanDerWaalsContact C-N 3.31Å; F127-L129 PolarHBondContact O-N 3.02Å; L129-C131 VanDerWaalsContact C-N 3.34Å; L129-A132 PolarHBondContact O-N 2.99Å; L129-F133 WeakPolarHBondContact O-CD2 3.42Å; L129-F133 PolarHBondContact O-N 3.36Å; L129-F133 VanDerWaalsContact O-N 3.07Å; L129-L220 HydrophobicContact CD1-CD1 4.39Å; L129-L220 HydrophobicContact CD1-CD2 4.18Å; L129-L220 HydrophobicContact CD1-CG 4.04Å; L129-V235 HydrophobicContact CB-CG1 3.63Å
130	V	83.2	Confident	75.7	Confident	22 Å²	22	59.4 Å²	59.4	13%	0.133	31%	0.306	C	S	.	.	H	α-helix	trans	-60.9	-44	170.9	172.4	0	0	0	0	110.5	L126 F127 A132 F133 F134 V235 L238 L242	L126-V130 WeakPolarHBondContact O-CG2 3.3Å; L126-V130 PolarHBondContact O-N 3.27Å; F127-V130 PolarHBondContact O-N 2.69Å; V130-A132 VanDerWaalsContact C-N 3.34Å; V130-A132 PolarHBondContact O-N 3.18Å; V130-F133 PolarHBondContact O-N 3.45Å; V130-F134 VanDerWaalsContact O-CB 3.26Å; V130-F134 WeakPolarHBondContact O-CB 3.38Å; V130-F134 PolarHBondContact O-N 3.41Å; V130-V235 HydrophobicContact CG2-CB 4.47Å; V130-V235 HydrophobicContact CG2-CG1 3.82Å; V130-V235 HydrophobicContact CG2-CG2 4.39Å; V130-L238 HydrophobicContact CG1-CG 4.38Å; V130-L238 HydrophobicContact CG2-CD2 4.01Å; V130-L238 HydrophobicContact CG2-CG 4.48Å; V130-L242 HydrophobicContact CG1-CD1 3.66Å
131	C	74.7	Confident	76.1	Confident	40 Å²	40	52 Å²	52	27%	0.27	28%	0.279	S	S	.	.	H	α-helix	trans	-62.4	-37.7	175.2	-68.6	0	0	0	0	112.8	F127 A128 L129 F134 W135	F127-C131 PolarHBondContact O-N 3.26Å; F127-C131 PolarHBondContact O-SG 2.91Å; F127-C131 VanDerWaalsContact O-SG 3.34Å; A128-C131 PolarHBondContact O-N 3.09Å; L129-C131 VanDerWaalsContact C-N 3.34Å; C131-F134 WeakPolarHBondContact O-CB 3.3Å; C131-F134 PolarHBondContact O-N 3.1Å; C131-W135 PolarHBondContact O-N 2.98Å
132	A	75.9	Confident	76.4	Confident	42 Å²	42	53.6 Å²	53.6	35%	0.347	28%	0.282	S	S	.	.	H	α-helix	trans	-63.9	-48.6	176.2	0	0	0	0	0	111.8	A128 L129 V130 F134 W135 V136	A128-A132 PolarHBondContact O-N 3.44Å; L129-A132 PolarHBondContact O-N 2.99Å; V130-A132 VanDerWaalsContact C-N 3.34Å; V130-A132 PolarHBondContact O-N 3.18Å; A132-F134 VanDerWaalsContact C-N 3.32Å; A132-F134 PolarHBondContact O-N 3.35Å; A132-W135 PolarHBondContact O-N 3.45Å; A132-V136 WeakPolarHBondContact O-CG2 3.37Å; A132-V136 PolarHBondContact O-N 3.14Å
133	F	82.9	Confident	76.1	Confident	3 Å²	3	53.7 Å²	53.7	1%	0.013	28%	0.279	C	S	.	.	H	α-helix	trans	-70.1	-26.8	176	-77.2	-71.2	0	0	0	113.5	L129 V130 G137 L154 A212 R213 S216 V235	L129-F133 WeakPolarHBondContact O-CD2 3.42Å; L129-F133 PolarHBondContact O-N 3.36Å; L129-F133 VanDerWaalsContact O-N 3.07Å; V130-F133 PolarHBondContact O-N 3.45Å; F133-G137 PolarHBondContact O-N 2.89Å; F133-L154 HydrophobicContact CE1-CD1 4.39Å; F133-A212 HydrophobicContact CD1-CB 4.28Å; F133-A212 HydrophobicContact CE1-CB 3.89Å; F133-A212 HydrophobicContact CZ-CB 4.18Å; F133-R213 HydrophobicContact CZ-CB 4.48Å; F133-S216 VanDerWaalsContact CE2-OG 3.26Å; F133-S216 WeakPolarHBondContact CE2-OG 3.46Å; F133-V235 HydrophobicContact CD2-CG1 4.09Å; F133-V235 HydrophobicContact CE2-CG1 4.46Å
134	F	84.9	Confident	75.6	Confident	47 Å²	47	51.2 Å²	51.2	21%	0.206	28%	0.281	C	S	.	.	H	α-helix	trans	-62	-55	169.7	171.1	-94.6	0	0	0	111.2	V130 C131 A132 V136 G137 V138 G239 L242 A243 A246	V130-F134 VanDerWaalsContact O-CB 3.26Å; V130-F134 WeakPolarHBondContact O-CB 3.38Å; V130-F134 PolarHBondContact O-N 3.41Å; C131-F134 WeakPolarHBondContact O-CB 3.3Å; C131-F134 PolarHBondContact O-N 3.1Å; A132-F134 VanDerWaalsContact C-N 3.32Å; A132-F134 PolarHBondContact O-N 3.35Å; F134-V136 PolarHBondContact O-N 3.45Å; F134-G137 WeakPolarHBondContact O-CA 3.47Å; F134-G137 PolarHBondContact O-N 2.86Å; F134-G137 VanDerWaalsContact O-N 3.1Å; F134-V138 HydrophobicContact CD1-CG2 4.42Å; F134-V138 HydrophobicContact CD2-CG2 4.45Å; F134-V138 HydrophobicContact CE1-CG2 4.05Å; F134-V138 HydrophobicContact CE2-CG2 4.09Å; F134-V138 HydrophobicContact CZ-CG2 3.87Å; F134-V138 WeakPolarHBondContact O-CG2 3.34Å; F134-V138 PolarHBondContact O-N 3.36Å; F134-G239 WeakPolarHBondContact CA-O 3.4Å; F134-L242 HydrophobicContact CD2-CB 3.8Å; F134-L242 HydrophobicContact CE2-CB 4.36Å; F134-A243 HydrophobicContact CD2-CB 4.22Å; F134-A246 HydrophobicContact CE2-CB 3.68Å; F134-A246 HydrophobicContact CZ-CB 3.77Å
135	W	77.9	Confident	75.6	Confident	174 Å²	174	50.3 Å²	50.3	66%	0.659	27%	0.273	S	S	*	.	H	α-helix	trans	-66.3	-36.5	-178.9	-74.5	114.6	0	0	0	113	C131 A132 V138 Y139	C131-W135 PolarHBondContact O-N 2.98Å; A132-W135 PolarHBondContact O-N 3.45Å; W135-V138 PolarHBondContact O-N 3.5Å; W135-Y139 WeakPolarHBondContact O-CB 3.44Å; W135-Y139 PolarHBondContact O-N 3.34Å
136	V	76.7	Confident	75.7	Confident	24 Å²	24	53.6 Å²	53.6	15%	0.145	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-41.3	170.4	172.5	0	0	0	0	111	A132 F134 L140 L208 I209 A212	A132-V136 WeakPolarHBondContact O-CG2 3.37Å; A132-V136 PolarHBondContact O-N 3.14Å; F134-V136 PolarHBondContact O-N 3.45Å; V136-L140 HydrophobicContact CG1-CD1 3.88Å; V136-L140 HydrophobicContact CG1-CG 4.41Å; V136-L140 WeakPolarHBondContact O-CB 3.49Å; V136-L140 VanDerWaalsContact O-CG 3.24Å; V136-L140 WeakPolarHBondContact O-CG 3.27Å; V136-L140 PolarHBondContact O-N 2.65Å; V136-L208 HydrophobicContact CG1-CB 4.34Å; V136-I209 HydrophobicContact CG1-CG1 4.12Å; V136-A212 HydrophobicContact CG2-CB 4.46Å
137	G	78.9	Confident	75.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.6	-47.9	175	0	0	0	0	0	112.7	F133 F134 L140 I141	F133-G137 PolarHBondContact O-N 2.89Å; F134-G137 WeakPolarHBondContact O-CA 3.47Å; F134-G137 PolarHBondContact O-N 2.86Å; F134-G137 VanDerWaalsContact O-N 3.1Å; G137-L140 PolarHBondContact O-N 2.93Å; G137-I141 WeakPolarHBondContact O-CB 3.44Å; G137-I141 WeakPolarHBondContact O-CD1 3.5Å; G137-I141 VanDerWaalsContact O-CG1 3.24Å; G137-I141 WeakPolarHBondContact O-CG1 3.16Å; G137-I141 PolarHBondContact O-N 2.71Å
138	V	76	Confident	76	Confident	21 Å²	21	51.9 Å²	51.9	13%	0.127	28%	0.283	C	S	.	.	H	α-helix	trans	-59.8	-51.3	177.5	169.4	0	0	0	0	110.5	F134 W135 L140 I141 H142 A243	F134-V138 HydrophobicContact CD1-CG2 4.42Å; F134-V138 HydrophobicContact CD2-CG2 4.45Å; F134-V138 HydrophobicContact CE1-CG2 4.05Å; F134-V138 HydrophobicContact CE2-CG2 4.09Å; F134-V138 HydrophobicContact CZ-CG2 3.87Å; F134-V138 WeakPolarHBondContact O-CG2 3.34Å; F134-V138 PolarHBondContact O-N 3.36Å; W135-V138 PolarHBondContact O-N 3.5Å; V138-L140 VanDerWaalsContact C-N 3.31Å; V138-L140 PolarHBondContact O-N 3.47Å; V138-I141 PolarHBondContact O-N 2.78Å; V138-H142 PolarHBondContact O-CD2 3.49Å; V138-H142 VanDerWaalsContact O-CD2 3.25Å; V138-H142 PolarHBondContact O-N 3.36Å; V138-A243 HydrophobicContact CG2-CB 3.71Å
139	Y	72.4	Confident	76.1	Confident	114 Å²	114	53 Å²	53	45%	0.447	28%	0.284	S	S	.	.	H	α-helix	trans	-55	-45.3	178	175.2	-103.1	0	0	0	112.2	W135 H142 C143 L208	W135-Y139 WeakPolarHBondContact O-CB 3.44Å; W135-Y139 PolarHBondContact O-N 3.34Å; Y139-H142 PolarHBondContact O-N 2.91Å; Y139-C143 PolarHBondContact O-N 3.4Å; Y139-C143 PolarHBondContact O-SG 2.89Å; Y139-L208 HydrophobicContact CD1-CD1 3.64Å; Y139-L208 HydrophobicContact CE1-CD1 3.36Å
140	L	71.9	Confident	76	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-75.1	-33.4	-177.7	-63.6	-179.5	0	0	0	113.7	V136 G137 V138 C143 G144 V145 L150 A205 I209	V136-L140 HydrophobicContact CG1-CD1 3.88Å; V136-L140 HydrophobicContact CG1-CG 4.41Å; V136-L140 WeakPolarHBondContact O-CB 3.49Å; V136-L140 VanDerWaalsContact O-CG 3.24Å; V136-L140 WeakPolarHBondContact O-CG 3.27Å; V136-L140 PolarHBondContact O-N 2.65Å; G137-L140 PolarHBondContact O-N 2.93Å; V138-L140 VanDerWaalsContact C-N 3.31Å; V138-L140 PolarHBondContact O-N 3.47Å; L140-C143 PolarHBondContact O-N 3.02Å; L140-G144 PolarHBondContact O-N 2.95Å; L140-V145 HydrophobicContact CB-CB 4.26Å; L140-V145 HydrophobicContact CB-CG2 4.24Å; L140-V145 VanDerWaalsContact O-CB 3.25Å; L140-V145 WeakPolarHBondContact O-CB 3.36Å; L140-V145 WeakPolarHBondContact O-CG2 3.31Å; L140-V145 PolarHBondContact O-N 3.08Å; L140-L150 HydrophobicContact CD1-CD1 3.91Å; L140-A205 HydrophobicContact CD1-CB 3.97Å; L140-A205 HydrophobicContact CD2-CB 3.57Å; L140-A205 HydrophobicContact CG-CB 4.4Å; L140-I209 HydrophobicContact CD1-CD1 3.76Å; L140-I209 HydrophobicContact CD1-CG1 3.85Å
141	I	77.9	Confident	75.9	Confident	27 Å²	27	53.7 Å²	53.7	14%	0.138	29%	0.287	C	S	.	.	H	α-helix	trans	-63	-46	170.9	-70.5	165.8	0	0	0	109.8	G137 V138 C143 G144 A243 D247	G137-I141 WeakPolarHBondContact O-CB 3.44Å; G137-I141 WeakPolarHBondContact O-CD1 3.5Å; G137-I141 VanDerWaalsContact O-CG1 3.24Å; G137-I141 WeakPolarHBondContact O-CG1 3.16Å; G137-I141 PolarHBondContact O-N 2.71Å; V138-I141 PolarHBondContact O-N 2.78Å; I141-C143 VanDerWaalsContact C-N 3.35Å; I141-C143 PolarHBondContact O-N 3.36Å; I141-G144 WeakPolarHBondContact O-CA 3.35Å; I141-G144 PolarHBondContact O-N 2.9Å; I141-A243 HydrophobicContact CD1-CB 4.11Å; I141-D247 HydrophobicContact CG2-CB 4.22Å
142	H	71.8	Confident	76.1	Confident	75 Å²	75	55.2 Å²	55.2	35%	0.347	30%	0.298	S	S	.	.	H	α-helix	trans	-60	-41.2	173.5	-81.6	-71.9	0	0	0	112.5	V138 Y139 G144 T255	V138-H142 PolarHBondContact O-CD2 3.49Å; V138-H142 VanDerWaalsContact O-CD2 3.25Å; V138-H142 PolarHBondContact O-N 3.36Å; Y139-H142 PolarHBondContact O-N 2.91Å; H142-G144 PolarHBondContact O-N 3.4Å; H142-T255 WeakPolarHBondContact O-CB 3.38Å; H142-T255 WeakPolarHBondContact O-CG2 3.35Å; H142-T255 PolarHBondContact O-OG1 3.41Å
143	C	62.2	Low	76	Confident	47 Å²	47	55 Å²	55	32%	0.318	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-3.1	173.2	-67.3	0	0	0	0	114.6	Y139 L140 I141	Y139-C143 PolarHBondContact O-N 3.4Å; Y139-C143 PolarHBondContact O-SG 2.89Å; L140-C143 PolarHBondContact O-N 3.02Å; I141-C143 VanDerWaalsContact C-N 3.35Å; I141-C143 PolarHBondContact O-N 3.36Å
144	G	65.1	Low	75.9	Confident	60 Å²	60	55 Å²	55	62%	0.619	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.7	16.2	177.8	0	0	0	0	0	114.5	L140 I141 H142 L146	L140-G144 PolarHBondContact O-N 2.95Å; I141-G144 WeakPolarHBondContact O-CA 3.35Å; I141-G144 PolarHBondContact O-N 2.9Å; H142-G144 PolarHBondContact O-N 3.4Å; G144-L146 PolarHBondContact O-N 3.34Å
145	V	72.2	Confident	75.6	Confident	39 Å²	39	55 Å²	55	24%	0.236	30%	0.295	C	S	.	.			trans	-79.6	117.5	177.4	-174.7	0	0	0	0	109.8	L140 I147 T149 L150	L140-V145 HydrophobicContact CB-CB 4.26Å; L140-V145 HydrophobicContact CB-CG2 4.24Å; L140-V145 VanDerWaalsContact O-CB 3.25Å; L140-V145 WeakPolarHBondContact O-CB 3.36Å; L140-V145 WeakPolarHBondContact O-CG2 3.31Å; L140-V145 PolarHBondContact O-N 3.08Å; V145-I147 PolarHBondContact O-N 3.29Å; V145-T149 WeakPolarHBondContact CG1-OG1 3.22Å; V145-L150 HydrophobicContact CG1-CB 4.4Å
146	L	78.1	Confident	75.6	Confident	124 Å²	124	51.8 Å²	51.8	65%	0.649	29%	0.29	S	S	*	.			trans	-58.7	133.2	175.3	-66.1	175	0	0	0	111.1	G144 E148 T149 L150	G144-L146 PolarHBondContact O-N 3.34Å; L146-E148 PolarHBondContact O-N 2.9Å; L146-E148 VanDerWaalsContact O-N 3.08Å; L146-T149 HydrophobicContact CB-CG2 4.37Å; L146-T149 PolarHBondContact O-N 2.85Å; L146-T149 PolarHBondContact O-OG1 3.4Å; L146-L150 PolarHBondContact O-N 2.97Å; L146-L150 VanDerWaalsContact O-N 3.17Å
147	I	79.9	Confident	75.4	Confident	22 Å²	22	51.5 Å²	51.5	11%	0.113	29%	0.289	C	S	.	.	H	α-helix	trans	-59.1	-28.4	-177.7	-164.9	175.4	0	0	0	113.3	V145 L150 L151 I240 R244	V145-I147 PolarHBondContact O-N 3.29Å; I147-L150 PolarHBondContact O-N 3.48Å; I147-L151 HydrophobicContact CD1-CD1 4.49Å; I147-L151 HydrophobicContact CG1-CD1 4.08Å; I147-L151 HydrophobicContact CG1-CG 4.27Å; I147-L151 WeakPolarHBondContact O-CB 3.36Å; I147-L151 WeakPolarHBondContact O-CG 3.26Å; I147-L151 PolarHBondContact O-N 2.94Å; I147-I240 HydrophobicContact CD1-CG2 4.03Å; I147-I240 HydrophobicContact CG1-CG2 3.83Å; I147-R244 HydrophobicContact CD1-CB 3.65Å; I147-R244 HydrophobicContact CD1-CG 3.74Å
148	E	79.1	Confident	75.3	Confident	146 Å²	146	52.8 Å²	52.8	68%	0.682	30%	0.295	S	S	*	.	H	α-helix	trans	-65.3	-39.9	175.8	-65.2	179.4	-177.8	0	0	112.1	L146 S152	L146-E148 PolarHBondContact O-N 2.9Å; L146-E148 VanDerWaalsContact O-N 3.08Å; E148-S152 VanDerWaalsContact O-CB 3.22Å; E148-S152 WeakPolarHBondContact O-CB 3.37Å; E148-S152 PolarHBondContact O-N 3.37Å; E148-S152 PolarHBondContact O-OG 3.36Å
149	T	78.5	Confident	75.2	Confident	75 Å²	75	57.4 Å²	57.4	46%	0.46	32%	0.318	S	S	.	.	H	α-helix	trans	-72.5	-35.4	176.2	65.8	0	0	0	0	111.1	V145 L146 S152 L153	V145-T149 WeakPolarHBondContact CG1-OG1 3.22Å; L146-T149 HydrophobicContact CB-CG2 4.37Å; L146-T149 PolarHBondContact O-N 2.85Å; L146-T149 PolarHBondContact O-OG1 3.4Å; T149-S152 PolarHBondContact O-N 3.04Å; T149-L153 WeakPolarHBondContact O-CB 3.38Å; T149-L153 PolarHBondContact O-N 3.43Å
150	L	75.6	Confident	74.9	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-63.4	-44.3	174.4	-179.1	55.2	0	0	0	112.2	L140 V145 L146 I147 L154 I209 I240	L140-L150 HydrophobicContact CD1-CD1 3.91Å; V145-L150 HydrophobicContact CG1-CB 4.4Å; L146-L150 PolarHBondContact O-N 2.97Å; L146-L150 VanDerWaalsContact O-N 3.17Å; I147-L150 PolarHBondContact O-N 3.48Å; L150-L154 PolarHBondContact O-N 2.94Å; L150-L154 VanDerWaalsContact O-N 3.11Å; L150-I209 HydrophobicContact CD1-CD1 3.39Å; L150-I209 HydrophobicContact CD1-CG1 4.08Å; L150-I240 HydrophobicContact CD1-CD1 4.24Å; L150-I240 HydrophobicContact CD2-CD1 4.33Å; L150-I240 HydrophobicContact CD2-CG1 4.09Å; L150-I240 HydrophobicContact CD2-CG2 3.73Å; L150-I240 HydrophobicContact CG-CD1 3.96Å; L150-I240 HydrophobicContact CG-CG1 4.28Å; L150-I240 HydrophobicContact CG-CG2 4.08Å
151	L	81.3	Confident	74.7	Confident	44 Å²	44	54.3 Å²	54.3	23%	0.23	31%	0.312	C	S	.	.	H	α-helix	trans	-70.9	-37.2	174.6	-69.8	170.6	0	0	0	112.2	I147 L153 L154 T155 V237 I240	I147-L151 HydrophobicContact CD1-CD1 4.49Å; I147-L151 HydrophobicContact CG1-CD1 4.08Å; I147-L151 HydrophobicContact CG1-CG 4.27Å; I147-L151 WeakPolarHBondContact O-CB 3.36Å; I147-L151 WeakPolarHBondContact O-CG 3.26Å; I147-L151 PolarHBondContact O-N 2.94Å; L151-L153 VanDerWaalsContact C-N 3.33Å; L151-L153 PolarHBondContact O-N 2.99Å; L151-L154 PolarHBondContact O-N 3.17Å; L151-T155 WeakPolarHBondContact O-CG2 3.14Å; L151-T155 PolarHBondContact O-N 2.91Å; L151-T155 PolarHBondContact O-OG1 3Å; L151-V237 HydrophobicContact CD2-CG1 4.43Å; L151-V237 HydrophobicContact CD2-CG2 4.34Å; L151-I240 HydrophobicContact CD2-CG2 4.03Å; L151-I240 HydrophobicContact CG-CG2 4.33Å
152	S	78.6	Confident	74.3	Confident	72 Å²	72	55.3 Å²	55.3	50%	0.503	32%	0.319	S	S	.	.	H	α-helix	trans	-65.7	-34.5	175.2	-62	0	0	0	0	112.7	E148 T149 T155 L156	E148-S152 VanDerWaalsContact O-CB 3.22Å; E148-S152 WeakPolarHBondContact O-CB 3.37Å; E148-S152 PolarHBondContact O-N 3.37Å; E148-S152 PolarHBondContact O-OG 3.36Å; T149-S152 PolarHBondContact O-N 3.04Å; S152-T155 WeakPolarHBondContact CA-OG1 3.41Å; S152-T155 PolarHBondContact O-OG1 3.35Å; S152-L156 VanDerWaalsContact O-CB 3.24Å; S152-L156 WeakPolarHBondContact O-CB 3.35Å; S152-L156 PolarHBondContact O-N 2.97Å
153	L	73.7	Confident	74	Confident	38 Å²	38	53.7 Å²	53.7	20%	0.199	32%	0.318	C	S	.	.	H	α-helix	trans	-70.1	-41.8	173.2	-177.1	57.9	0	0	0	111.1	T149 L151 L156 C157 I206 I209	T149-L153 WeakPolarHBondContact O-CB 3.38Å; T149-L153 PolarHBondContact O-N 3.43Å; L151-L153 VanDerWaalsContact C-N 3.33Å; L151-L153 PolarHBondContact O-N 2.99Å; L153-L156 PolarHBondContact O-N 2.93Å; L153-C157 WeakPolarHBondContact O-CB 3.49Å; L153-C157 PolarHBondContact O-N 3.38Å; L153-C157 PolarHBondContact O-SG 3.33Å; L153-C157 VanDerWaalsContact O-SG 3.4Å; L153-I206 HydrophobicContact CD2-CG1 3.96Å; L153-I209 HydrophobicContact CD2-CD1 3.63Å; L153-I209 HydrophobicContact CG-CD1 4.46Å
154	L	80.1	Confident	74	Confident	2 Å²	2	53 Å²	53	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-64.6	-39.5	177.2	-167.7	77.2	0	0	0	112.6	F133 L150 L151 H158 I209 R213 Y233 V237 I240	F133-L154 HydrophobicContact CE1-CD1 4.39Å; L150-L154 PolarHBondContact O-N 2.94Å; L150-L154 VanDerWaalsContact O-N 3.11Å; L151-L154 PolarHBondContact O-N 3.17Å; L154-H158 PolarHBondContact O-N 3.46Å; L154-H158 VanDerWaalsContact O-N 3.17Å; L154-I209 HydrophobicContact CD1-CG2 4.36Å; L154-R213 PolarHBondContact O-NH1 3.28Å; L154-Y233 HydrophobicContact CB-CE2 4.39Å; L154-Y233 HydrophobicContact CD2-CD2 3.89Å; L154-Y233 HydrophobicContact CD2-CE2 3.79Å; L154-Y233 HydrophobicContact CG-CD2 3.84Å; L154-Y233 HydrophobicContact CG-CE2 3.86Å; L154-V237 HydrophobicContact CD2-CG2 3.65Å; L154-I240 HydrophobicContact CD2-CD1 4.09Å
155	T	80.4	Confident	73.8	Confident	47 Å²	47	54.9 Å²	54.9	29%	0.288	31%	0.305	S	S	.	.	H	α-helix	trans	-68.4	-46.7	174	53	0	0	0	0	111.6	L151 S152 C157 H158 L159 Y233	L151-T155 WeakPolarHBondContact O-CG2 3.14Å; L151-T155 PolarHBondContact O-N 2.91Å; L151-T155 PolarHBondContact O-OG1 3Å; S152-T155 WeakPolarHBondContact CA-OG1 3.41Å; S152-T155 PolarHBondContact O-OG1 3.35Å; T155-C157 VanDerWaalsContact C-N 3.32Å; T155-C157 PolarHBondContact O-N 3.3Å; T155-H158 CarbonylContact O-C 3.3Å; T155-H158 WeakPolarHBondContact O-CA 3.41Å; T155-H158 WeakPolarHBondContact O-CB 3.24Å; T155-H158 PolarHBondContact O-N 2.93Å; T155-L159 WeakPolarHBondContact O-CD1 3.47Å; T155-L159 PolarHBondContact O-N 3.26Å; T155-Y233 HydrophobicContact CG2-CE2 3.89Å; T155-Y233 WeakPolarHBondContact CG2-OH 3.39Å
156	L	77.8	Confident	73.3	Confident	107 Å²	107	57.4 Å²	57.4	56%	0.56	32%	0.324	S	S	*	.	H	α-helix	trans	-56.6	-46.5	179	-178.3	61.3	0	0	0	111.4	S152 L153 H158 L159 S160	S152-L156 VanDerWaalsContact O-CB 3.24Å; S152-L156 WeakPolarHBondContact O-CB 3.35Å; S152-L156 PolarHBondContact O-N 2.97Å; L153-L156 PolarHBondContact O-N 2.93Å; L156-H158 VanDerWaalsContact C-N 3.28Å; L156-H158 PolarHBondContact O-N 3.04Å; L156-L159 PolarHBondContact O-N 3.21Å; L156-S160 PolarHBondContact O-N 3.17Å; L156-S160 PolarHBondContact O-OG 2.97Å
157	C	71.3	Confident	72.4	Confident	18 Å²	18	58.4 Å²	58.4	12%	0.122	33%	0.329	C	S	.	.	H	α-helix	trans	-65.2	-27.4	174.9	-68.3	0	0	0	0	113.4	L153 T155 S160 E161 R213	L153-C157 WeakPolarHBondContact O-CB 3.49Å; L153-C157 PolarHBondContact O-N 3.38Å; L153-C157 PolarHBondContact O-SG 3.33Å; L153-C157 VanDerWaalsContact O-SG 3.4Å; T155-C157 VanDerWaalsContact C-N 3.32Å; T155-C157 PolarHBondContact O-N 3.3Å; C157-S160 VanDerWaalsContact CA-OG 3.3Å; C157-S160 WeakPolarHBondContact CA-OG 3.39Å; C157-S160 PolarHBondContact O-OG 2.86Å; C157-E161 WeakPolarHBondContact O-CG 3.33Å; C157-E161 PolarHBondContact O-N 2.9Å; C157-E161 VanDerWaalsContact O-N 3.12Å; C157-R213 VanDerWaalsContact CB-NH1 3.31Å; C157-R213 PolarHBondContact O-NH2 3.49Å
158	H	77	Confident	71.4	Confident	27 Å²	27	60.5 Å²	60.5	13%	0.125	34%	0.341	C	S	.	.	H	α-helix	trans	-74.6	-41.9	172.8	176.3	-93.1	0	0	0	112.4	L154 T155 L156 S160 E161 V162 Y230 Y233	L154-H158 PolarHBondContact O-N 3.46Å; L154-H158 VanDerWaalsContact O-N 3.17Å; T155-H158 CarbonylContact O-C 3.3Å; T155-H158 WeakPolarHBondContact O-CA 3.41Å; T155-H158 WeakPolarHBondContact O-CB 3.24Å; T155-H158 PolarHBondContact O-N 2.93Å; L156-H158 VanDerWaalsContact C-N 3.28Å; L156-H158 PolarHBondContact O-N 3.04Å; H158-S160 VanDerWaalsContact C-N 3.32Å; H158-S160 PolarHBondContact O-N 2.9Å; H158-E161 PolarHBondContact O-N 3.41Å; H158-V162 WeakPolarHBondContact O-CG2 3.39Å; H158-V162 PolarHBondContact O-N 3.34Å; H158-Y230 AromaticContact CE1-CD1 3.84Å; H158-Y230 AromaticContact CE1-CE1 3.76Å; H158-Y230 AromaticContact NE2-CD1 3.38Å; H158-Y230 WeakPolarHBondContact NE2-CD1 3.48Å; H158-Y230 AromaticContact NE2-CE1 3.66Å; H158-Y233 HydrophobicContact CB-CD2 3.76Å; H158-Y233 HydrophobicContact CB-CE2 4.34Å; H158-Y233 HydrophobicContact CB-CG 4.26Å; H158-Y233 AromaticContact CD2-CG 3.87Å
159	L	73.9	Confident	69.9	Low	117 Å²	117	61.1 Å²	61.1	61%	0.613	35%	0.348	S	S	*	.	H	α-helix	trans	-62.7	-38.9	173.1	-83.4	91.5	0	0	0	111.5	T155 L156 V162 A163	T155-L159 WeakPolarHBondContact O-CD1 3.47Å; T155-L159 PolarHBondContact O-N 3.26Å; L156-L159 PolarHBondContact O-N 3.21Å; L159-V162 PolarHBondContact O-N 2.92Å; L159-A163 WeakPolarHBondContact O-CB 3.46Å; L159-A163 PolarHBondContact O-N 3.29Å
160	S	66.9	Low	68.9	Low	35 Å²	35	60.1 Å²	60.1	25%	0.245	35%	0.353	C	S	.	.	H	α-helix	trans	-67.4	-34.3	175.2	61	0	0	0	0	113.4	L156 C157 H158 A164 L187	L156-S160 PolarHBondContact O-N 3.17Å; L156-S160 PolarHBondContact O-OG 2.97Å; C157-S160 VanDerWaalsContact CA-OG 3.3Å; C157-S160 WeakPolarHBondContact CA-OG 3.39Å; C157-S160 PolarHBondContact O-OG 2.86Å; H158-S160 VanDerWaalsContact C-N 3.32Å; H158-S160 PolarHBondContact O-N 2.9Å; S160-A164 WeakPolarHBondContact O-CB 3.39Å; S160-A164 PolarHBondContact O-N 3.35Å; S160-L187 VanDerWaalsContact CB-CD2 3.41Å
161	E	67.2	Low	67.6	Low	16 Å²	16	66.8 Å²	66.8	8%	0.075	39%	0.394	C	S	.	.	H	α-helix	trans	-69.8	-44.5	174.1	-82.4	172.6	-172.1	0	0	112.2	C157 H158 A163 A164 W165 R213	C157-E161 WeakPolarHBondContact O-CG 3.33Å; C157-E161 PolarHBondContact O-N 2.9Å; C157-E161 VanDerWaalsContact O-N 3.12Å; H158-E161 PolarHBondContact O-N 3.41Å; E161-A163 VanDerWaalsContact C-N 3.27Å; E161-A163 PolarHBondContact O-N 3.4Å; E161-A164 PolarHBondContact O-N 3.48Å; E161-W165 WeakPolarHBondContact O-CB 3.36Å; E161-W165 VanDerWaalsContact O-CD1 3.28Å; E161-W165 PolarHBondContact O-N 3.48Å; E161-R213 VanDerWaalsContact CD-NE 3.26Å; E161-R213 VanDerWaalsContact CD-NH2 3.32Å; E161-R213 WeakPolarHBondContact OE1-CD 3.18Å; E161-R213 IonicContact OE1-CZ 3.55Å; E161-R213 IonicContact OE1-NE 3.46Å; E161-R213 PolarHBondContact OE1-NE 2.94Å; E161-R213 IonicContact OE1-NH2 3.52Å; E161-R213 IonicContact OE2-CZ 3.63Å; E161-R213 IonicContact OE2-NE 3Å; E161-R213 PolarHBondContact OE2-NE 3.05Å; E161-R213 IonicContact OE2-NH2 3.86Å; E161-R213 PolarHBondContact OE2-NH2 3.49Å
162	V	68.9	Low	66.1	Low	48 Å²	48	69.2 Å²	69.2	29%	0.291	41%	0.407	S	S	.	.	H	α-helix	trans	-61.6	-38.6	174.6	173.8	0	0	0	0	110.6	H158 L159 W165 S166 Y230	H158-V162 WeakPolarHBondContact O-CG2 3.39Å; H158-V162 PolarHBondContact O-N 3.34Å; L159-V162 PolarHBondContact O-N 2.92Å; V162-W165 PolarHBondContact O-N 3.43Å; V162-S166 WeakPolarHBondContact O-CB 3.38Å; V162-S166 PolarHBondContact O-N 3.39Å; V162-S166 PolarHBondContact O-OG 2.95Å; V162-Y230 HydrophobicContact CG2-CE1 4.28Å
163	A	65.9	Low	64.9	Low	41 Å²	41	73.3 Å²	73.3	34%	0.339	42%	0.419	S	S	.	.	H	α-helix	trans	-62	-46.9	172.1	0	0	0	0	0	112	L159 E161 W165 S166 L167	L159-A163 WeakPolarHBondContact O-CB 3.46Å; L159-A163 PolarHBondContact O-N 3.29Å; E161-A163 VanDerWaalsContact C-N 3.27Å; E161-A163 PolarHBondContact O-N 3.4Å; A163-W165 PolarHBondContact O-N 3.08Å; A163-S166 WeakPolarHBondContact CA-OG 3.47Å; A163-S166 PolarHBondContact O-N 3.31Å; A163-S166 PolarHBondContact O-OG 3.18Å; A163-L167 WeakPolarHBondContact O-CG 3.38Å; A163-L167 PolarHBondContact O-N 2.95Å; A163-L167 VanDerWaalsContact O-N 3.08Å
164	A	63.2	Low	63.7	Low	32 Å²	32	80 Å²	80	26%	0.264	45%	0.448	S	S	.	.	H	α-helix	trans	-61	-43.3	176.8	0	0	0	0	0	112.5	S160 E161 S166 L167 L168	S160-A164 WeakPolarHBondContact O-CB 3.39Å; S160-A164 PolarHBondContact O-N 3.35Å; E161-A164 PolarHBondContact O-N 3.48Å; A164-S166 PolarHBondContact O-N 3.18Å; A164-L167 PolarHBondContact O-N 3.13Å; A164-L167 VanDerWaalsContact O-N 3.15Å; A164-L168 PolarHBondContact O-N 3.27Å; A164-L168 VanDerWaalsContact O-N 3.09Å
165	W	60.7	Low	62.2	Low	100 Å²	100	85.5 Å²	85.5	38%	0.379	48%	0.477	S	S	.	.	H	α-helix	trans	-62.5	-25.7	172.9	-88	82	0	0	0	113.4	E161 V162 A163 G225	E161-W165 WeakPolarHBondContact O-CB 3.36Å; E161-W165 VanDerWaalsContact O-CD1 3.28Å; E161-W165 PolarHBondContact O-N 3.48Å; V162-W165 PolarHBondContact O-N 3.43Å; A163-W165 PolarHBondContact O-N 3.08Å; W165-G225 VanDerWaalsContact CH2-C 3.43Å
166	S	61.9	Low	60.8	Low	93 Å²	93	85.2 Å²	85.2	65%	0.65	47%	0.472	S	S	*	.	H	α-helix	trans	-86.9	-13.2	174.9	73.1	0	0	0	0	114.6	V162 A163 A164	V162-S166 WeakPolarHBondContact O-CB 3.38Å; V162-S166 PolarHBondContact O-N 3.39Å; V162-S166 PolarHBondContact O-OG 2.95Å; A163-S166 WeakPolarHBondContact CA-OG 3.47Å; A163-S166 PolarHBondContact O-N 3.31Å; A163-S166 PolarHBondContact O-OG 3.18Å; A164-S166 PolarHBondContact O-N 3.18Å
167	L	59.3	Low	59.6	Low	145 Å²	145	85.6 Å²	85.6	76%	0.759	47%	0.474	S	S	*	.	H	α-helix	trans	-101.5	-26.6	-178	-73.5	167.6	0	0	0	113.2	A163 A164 D169	A163-L167 WeakPolarHBondContact O-CG 3.38Å; A163-L167 PolarHBondContact O-N 2.95Å; A163-L167 VanDerWaalsContact O-N 3.08Å; A164-L167 PolarHBondContact O-N 3.13Å; A164-L167 VanDerWaalsContact O-N 3.15Å; L167-D169 PolarHBondContact O-N 3.07Å
168	L	58.3	Low	58.6	Low	66 Å²	66	88.7 Å²	88.7	35%	0.346	50%	0.496	S	S	.	.	S	Bend	trans	-93.3	84.9	173.5	-78.3	143.5	0	0	0	109.7	A164 F176 A179	A164-L168 PolarHBondContact O-N 3.27Å; A164-L168 VanDerWaalsContact O-N 3.09Å; L168-F176 HydrophobicContact CB-CE1 4.22Å; L168-F176 HydrophobicContact CB-CE2 3.94Å; L168-F176 HydrophobicContact CB-CZ 3.55Å; L168-A179 HydrophobicContact CD1-CB 4.49Å
169	D	48.1	Very low	57.2	Low	158 Å²	158	89.4 Å²	89.4	85%	0.845	51%	0.507	S	S	*	.			trans	-61.1	142.8	170	-163	7.4	0	0	0	110.3	L167	L167-D169 PolarHBondContact O-N 3.07Å
170	G	55.8	Low	56.1	Low	54 Å²	54	86 Å²	86	56%	0.557	49%	0.491	S	S	*	.	S	Bend	trans	-80.4	128.8	-156.5	0	0	0	0	0	114.1
171	T	48.8	Very low	55.3	Low	142 Å²	142	86.6 Å²	86.6	87%	0.871	50%	0.498	S	S	*	.	S	Bend	trans	-155	-21.9	159.4	-6	0	0	0	0	116.2
172	D	50.5	Low	54.3	Low	95 Å²	95	88.8 Å²	88.8	51%	0.508	52%	0.519	S	S	.	.			trans	-141	108.4	-173.4	-124.2	-39.5	0	0	0	113.7	Q174 L175 F176	D172-Q174 VanDerWaalsContact C-N 3.26Å; D172-Q174 PolarHBondContact O-N 3.35Å; D172-L175 HydrophobicContact CB-CB 4.36Å; D172-L175 HydrophobicContact CB-CD1 4.25Å; D172-L175 PolarHBondContact O-N 3.33Å; D172-F176 PolarHBondContact O-N 2.86Å
173	E	52.8	Low	53.6	Low	159 Å²	159	88.4 Å²	88.4	74%	0.743	53%	0.525	S	S	*	.	H	α-helix	trans	-65.2	-26.3	-179.9	-75.9	-156.1	136.2	0	0	113	F176	E173-F176 WeakPolarHBondContact O-CB 3.39Å; E173-F176 PolarHBondContact O-N 3.43Å
174	Q	48.7	Very low	52.9	Low	177 Å²	177	88.1 Å²	88.1	83%	0.827	52%	0.518	S	S	*	.	H	α-helix	trans	-78.1	-27.6	-178.6	-80.6	177	-82.1	0	0	113.8	D172	D172-Q174 VanDerWaalsContact C-N 3.26Å; D172-Q174 PolarHBondContact O-N 3.35Å
175	L	48.2	Very low	52.4	Low	118 Å²	118	91.5 Å²	91.5	62%	0.618	54%	0.536	S	S	*	.	H	α-helix	trans	-74.5	-31.6	170.4	-89	158.3	0	0	0	112	D172 L177 S178 A179	D172-L175 HydrophobicContact CB-CB 4.36Å; D172-L175 HydrophobicContact CB-CD1 4.25Å; D172-L175 PolarHBondContact O-N 3.33Å; L175-L177 PolarHBondContact O-N 3.34Å; L175-S178 PolarHBondContact O-N 2.88Å; L175-S178 VanDerWaalsContact O-N 3.16Å; L175-A179 PolarHBondContact O-N 3.18Å
176	F	52.3	Low	52.1	Low	41 Å²	41	92.6 Å²	92.6	18%	0.18	55%	0.548	C	S	.	.	H	α-helix	trans	-57.1	-42.5	-178.1	-109.9	-97.2	0	0	0	113.5	L168 D172 E173 S178 T180	L168-F176 HydrophobicContact CB-CE1 4.22Å; L168-F176 HydrophobicContact CB-CE2 3.94Å; L168-F176 HydrophobicContact CB-CZ 3.55Å; D172-F176 PolarHBondContact O-N 2.86Å; E173-F176 WeakPolarHBondContact O-CB 3.39Å; E173-F176 PolarHBondContact O-N 3.43Å; F176-S178 VanDerWaalsContact C-N 3.33Å; F176-S178 PolarHBondContact O-N 3.46Å; F176-T180 HydrophobicContact CD1-CG2 4.2Å; F176-T180 WeakPolarHBondContact O-CB 3.28Å; F176-T180 WeakPolarHBondContact O-CG2 3.39Å; F176-T180 PolarHBondContact O-N 3.01Å; F176-T180 PolarHBondContact O-OG1 3.05Å
177	L	52.1	Low	51.8	Low	115 Å²	115	92.3 Å²	92.3	60%	0.602	54%	0.539	S	S	*	.	H	α-helix	trans	-63	-37.9	178.6	-113.9	73.4	0	0	0	112.6	L175 A181 L218	L175-L177 PolarHBondContact O-N 3.34Å; L177-A181 VanDerWaalsContact O-CB 3.26Å; L177-A181 WeakPolarHBondContact O-CB 3.42Å; L177-A181 PolarHBondContact O-N 3.42Å; L177-L218 HydrophobicContact CD2-CD2 4.06Å; L177-L218 HydrophobicContact CG-CD2 4.36Å
178	S	49.6	Very low	51.4	Low	83 Å²	83	86.6 Å²	86.6	58%	0.58	51%	0.511	S	S	*	.	H	α-helix	trans	-76.5	-45.5	-179.1	-173	0	0	0	0	111.9	L175 F176 A182	L175-S178 PolarHBondContact O-N 2.88Å; L175-S178 VanDerWaalsContact O-N 3.16Å; F176-S178 VanDerWaalsContact C-N 3.33Å; F176-S178 PolarHBondContact O-N 3.46Å; S178-A182 WeakPolarHBondContact O-CB 3.39Å; S178-A182 PolarHBondContact O-N 3.43Å
179	A	47.5	Very low	51	Low	42 Å²	42	86 Å²	86	35%	0.347	52%	0.516	S	S	.	.	H	α-helix	trans	-67.7	-41.8	-178.2	0	0	0	0	0	112.7	L168 L175 G183	L168-A179 HydrophobicContact CD1-CB 4.49Å; L175-A179 PolarHBondContact O-N 3.18Å; A179-G183 PolarHBondContact O-N 3.18Å
180	T	50.7	Low	51.5	Low	46 Å²	46	82.4 Å²	82.4	28%	0.282	50%	0.499	S	S	.	.	H	α-helix	trans	-68.8	-41.3	178.1	55.1	0	0	0	0	112.1	F176 G183 V184	F176-T180 HydrophobicContact CD1-CG2 4.2Å; F176-T180 WeakPolarHBondContact O-CB 3.28Å; F176-T180 WeakPolarHBondContact O-CG2 3.39Å; F176-T180 PolarHBondContact O-N 3.01Å; F176-T180 PolarHBondContact O-OG1 3.05Å; T180-G183 PolarHBondContact O-N 2.97Å; T180-V184 WeakPolarHBondContact O-CB 3.4Å; T180-V184 WeakPolarHBondContact O-CG2 3.43Å; T180-V184 PolarHBondContact O-N 2.84Å
181	A	50.2	Low	51.3	Low	48 Å²	48	81.3 Å²	81.3	40%	0.397	49%	0.485	S	S	.	.	H	α-helix	trans	-61	-46.4	174.2	0	0	0	0	0	111.9	L177 V184 V185	L177-A181 VanDerWaalsContact O-CB 3.26Å; L177-A181 WeakPolarHBondContact O-CB 3.42Å; L177-A181 PolarHBondContact O-N 3.42Å; A181-V184 PolarHBondContact O-N 3.41Å; A181-V185 WeakPolarHBondContact O-CB 3.33Å; A181-V185 VanDerWaalsContact O-CG2 3.28Å; A181-V185 WeakPolarHBondContact O-CG2 3.44Å; A181-V185 PolarHBondContact O-N 2.88Å
182	A	47.4	Very low	51.3	Low	61 Å²	61	75.2 Å²	75.2	50%	0.504	45%	0.45	S	S	.	.	H	α-helix	trans	-62.9	-43.1	177.5	0	0	0	0	0	112.5	S178 V185 L186	S178-A182 WeakPolarHBondContact O-CB 3.39Å; S178-A182 PolarHBondContact O-N 3.43Å; A182-V185 PolarHBondContact O-N 3.35Å; A182-L186 WeakPolarHBondContact O-CB 3.42Å; A182-L186 PolarHBondContact O-N 3.43Å
183	G	52.6	Low	51.4	Low	41 Å²	41	75.6 Å²	75.6	42%	0.423	46%	0.456	S	S	.	.	H	α-helix	trans	-63.5	-44.4	177.7	0	0	0	0	0	113.1	A179 T180 L186 L187	A179-G183 PolarHBondContact O-N 3.18Å; T180-G183 PolarHBondContact O-N 2.97Å; G183-L186 PolarHBondContact O-N 2.96Å; G183-L187 WeakPolarHBondContact O-CB 3.22Å; G183-L187 PolarHBondContact O-N 3.2Å
184	V	52.9	Low	51.2	Low	34 Å²	34	73.9 Å²	73.9	21%	0.206	45%	0.451	C	S	.	.	H	α-helix	trans	-64.2	-47.4	175.8	170.9	0	0	0	0	110.8	T180 A181 L186 L187 C188	T180-V184 WeakPolarHBondContact O-CB 3.4Å; T180-V184 WeakPolarHBondContact O-CG2 3.43Å; T180-V184 PolarHBondContact O-N 2.84Å; A181-V184 PolarHBondContact O-N 3.41Å; V184-L186 VanDerWaalsContact C-N 3.34Å; V184-L186 PolarHBondContact O-N 3.4Å; V184-L187 PolarHBondContact O-N 3.42Å; V184-C188 VanDerWaalsContact O-CB 3.3Å; V184-C188 WeakPolarHBondContact O-CB 3.36Å; V184-C188 PolarHBondContact O-N 3.29Å; V184-C188 PolarHBondContact O-SG 3.11Å
185	V	52.9	Low	51.1	Low	103 Å²	103	70.1 Å²	70.1	62%	0.624	44%	0.435	S	S	*	.	H	α-helix	trans	-59.2	-43.5	177.8	168.3	0	0	0	0	111.6	A181 A182 A189	A181-V185 WeakPolarHBondContact O-CB 3.33Å; A181-V185 VanDerWaalsContact O-CG2 3.28Å; A181-V185 WeakPolarHBondContact O-CG2 3.44Å; A181-V185 PolarHBondContact O-N 2.88Å; A182-V185 PolarHBondContact O-N 3.35Å; V185-A189 WeakPolarHBondContact O-CB 3.45Å; V185-A189 PolarHBondContact O-N 3.5Å
186	L	52.5	Low	51	Low	124 Å²	124	68.4 Å²	68.4	65%	0.649	43%	0.429	S	S	*	.	H	α-helix	trans	-66.6	-41.4	179.2	-169.7	67.3	0	0	0	112.1	A182 G183 V184 A189 V190	A182-L186 WeakPolarHBondContact O-CB 3.42Å; A182-L186 PolarHBondContact O-N 3.43Å; G183-L186 PolarHBondContact O-N 2.96Å; V184-L186 VanDerWaalsContact C-N 3.34Å; V184-L186 PolarHBondContact O-N 3.4Å; L186-A189 PolarHBondContact O-N 2.72Å; L186-V190 WeakPolarHBondContact O-CG2 3.39Å; L186-V190 PolarHBondContact O-N 2.88Å
187	L	55.7	Low	50.9	Low	87 Å²	87	72 Å²	72	46%	0.455	45%	0.454	S	S	.	.	H	α-helix	trans	-69.9	-40	178.8	-159.1	74	0	0	0	111.9	S160 G183 V184 A189 V190 A191	S160-L187 VanDerWaalsContact CB-CD2 3.41Å; G183-L187 WeakPolarHBondContact O-CB 3.22Å; G183-L187 PolarHBondContact O-N 3.2Å; V184-L187 PolarHBondContact O-N 3.42Å; L187-A189 VanDerWaalsContact C-N 3.32Å; L187-A189 PolarHBondContact O-N 3.33Å; L187-V190 PolarHBondContact O-N 3.37Å; L187-A191 WeakPolarHBondContact O-CB 3.14Å; L187-A191 PolarHBondContact O-N 3.4Å
188	C	51.6	Low	50.8	Low	25 Å²	25	77 Å²	77	17%	0.169	47%	0.465	C	S	.	.	H	α-helix	trans	-64.5	-34.3	172.9	-69.6	0	0	0	0	112.2	V184 G192 I206 S210	V184-C188 VanDerWaalsContact O-CB 3.3Å; V184-C188 WeakPolarHBondContact O-CB 3.36Å; V184-C188 PolarHBondContact O-N 3.29Å; V184-C188 PolarHBondContact O-SG 3.11Å; C188-G192 PolarHBondContact O-N 2.92Å; C188-I206 HydrophobicContact CB-CG2 4.17Å; C188-S210 PolarHBondContact SG-OG 3Å; C188-S210 VanDerWaalsContact SG-OG 3.34Å
189	A	49.8	Very low	50.8	Low	54 Å²	54	78.7 Å²	78.7	45%	0.446	47%	0.467	S	S	.	.	H	α-helix	trans	-66.3	-46	172.8	0	0	0	0	0	111.9	V185 L186 L187 G192 V193	V185-A189 WeakPolarHBondContact O-CB 3.45Å; V185-A189 PolarHBondContact O-N 3.5Å; L186-A189 PolarHBondContact O-N 2.72Å; L187-A189 VanDerWaalsContact C-N 3.32Å; L187-A189 PolarHBondContact O-N 3.33Å; A189-G192 PolarHBondContact O-N 3.38Å; A189-V193 WeakPolarHBondContact O-CG2 3.43Å; A189-V193 PolarHBondContact O-N 3.12Å
190	V	57.8	Low	51.1	Low	81 Å²	81	84.5 Å²	84.5	49%	0.491	49%	0.492	S	S	.	.	H	α-helix	trans	-64.5	-43.9	177.3	172.1	0	0	0	0	111.8	L186 L187 G192 V193 L194	L186-V190 WeakPolarHBondContact O-CG2 3.39Å; L186-V190 PolarHBondContact O-N 2.88Å; L187-V190 PolarHBondContact O-N 3.37Å; V190-G192 VanDerWaalsContact C-N 3.33Å; V190-V193 PolarHBondContact O-N 3.07Å; V190-L194 HydrophobicContact CG1-CD1 4.29Å; V190-L194 PolarHBondContact O-N 3.43Å; V190-L194 VanDerWaalsContact O-N 3.08Å
191	A	51.8	Low	51.2	Low	32 Å²	32	88.5 Å²	88.5	26%	0.264	51%	0.507	S	S	.	.	H	α-helix	trans	-63.8	-38.9	174.3	0	0	0	0	0	112	L187 L194 M195	L187-A191 WeakPolarHBondContact O-CB 3.14Å; L187-A191 PolarHBondContact O-N 3.4Å; A191-L194 PolarHBondContact O-N 3.44Å; A191-M195 WeakPolarHBondContact O-CB 3.25Å; A191-M195 WeakPolarHBondContact O-CG 3.49Å; A191-M195 PolarHBondContact O-N 3.47Å
192	G	50.4	Low	51.5	Low	13 Å²	13	87.5 Å²	87.5	13%	0.134	50%	0.501	C	S	.	.	H	α-helix	trans	-60.1	-49.1	173.7	0	0	0	0	0	112.3	C188 A189 V190 L194 M195 V196	C188-G192 PolarHBondContact O-N 2.92Å; A189-G192 PolarHBondContact O-N 3.38Å; V190-G192 VanDerWaalsContact C-N 3.33Å; G192-L194 PolarHBondContact O-N 3.04Å; G192-M195 PolarHBondContact O-N 3.4Å; G192-V196 WeakPolarHBondContact O-CB 3.38Å; G192-V196 VanDerWaalsContact O-CG2 3.25Å; G192-V196 WeakPolarHBondContact O-CG2 3.28Å; G192-V196 PolarHBondContact O-N 3.34Å
193	V	50.9	Low	51.9	Low	103 Å²	103	88.4 Å²	88.4	62%	0.624	50%	0.501	S	S	*	.	H	α-helix	trans	-59.7	-43.5	176.8	169.6	0	0	0	0	111.6	A189 V190 M195 V197	A189-V193 WeakPolarHBondContact O-CG2 3.43Å; A189-V193 PolarHBondContact O-N 3.12Å; V190-V193 PolarHBondContact O-N 3.07Å; V193-M195 VanDerWaalsContact C-N 3.33Å; V193-M195 PolarHBondContact O-N 3.1Å; V193-V197 WeakPolarHBondContact O-CG2 3.23Å; V193-V197 PolarHBondContact O-N 2.87Å
194	L	49.5	Very low	52.1	Low	124 Å²	124	88.8 Å²	88.8	65%	0.649	50%	0.497	S	S	*	.	H	α-helix	trans	-65.1	-32	176.6	-87.9	159.2	0	0	0	113.6	V190 A191 G192	V190-L194 HydrophobicContact CG1-CD1 4.29Å; V190-L194 PolarHBondContact O-N 3.43Å; V190-L194 VanDerWaalsContact O-N 3.08Å; A191-L194 PolarHBondContact O-N 3.44Å; G192-L194 PolarHBondContact O-N 3.04Å
195	M	46.3	Very low	52.4	Low	98 Å²	98	87.7 Å²	87.7	48%	0.483	49%	0.491	S	S	.	.	H	α-helix	trans	-83.6	-37	178.6	-77.7	-73.6	143.8	0	0	113.5	A191 G192 V193 V197 R198 L199	A191-M195 WeakPolarHBondContact O-CB 3.25Å; A191-M195 WeakPolarHBondContact O-CG 3.49Å; A191-M195 PolarHBondContact O-N 3.47Å; G192-M195 PolarHBondContact O-N 3.4Å; V193-M195 VanDerWaalsContact C-N 3.33Å; V193-M195 PolarHBondContact O-N 3.1Å; M195-V197 PolarHBondContact O-N 3.46Å; M195-R198 PolarHBondContact O-N 2.84Å; M195-L199 PolarHBondContact O-N 3.42Å
196	V	47.3	Very low	52.8	Low	81 Å²	81	83.6 Å²	83.6	49%	0.491	47%	0.466	S	S	.	.	H	α-helix	trans	-59.9	-31.2	176.8	164.3	0	0	0	0	111.7	G192 R198 T203	G192-V196 WeakPolarHBondContact O-CB 3.38Å; G192-V196 VanDerWaalsContact O-CG2 3.25Å; G192-V196 WeakPolarHBondContact O-CG2 3.28Å; G192-V196 PolarHBondContact O-N 3.34Å; V196-R198 PolarHBondContact O-N 3.42Å; V196-T203 HydrophobicContact CG2-CG2 3.48Å; V196-T203 VanDerWaalsContact CG2-CG2 3.48Å
197	V	49.2	Very low	53.4	Low	117 Å²	117	82 Å²	82	71%	0.709	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-7.4	175.1	173.4	0	0	0	0	113.2	V193 M195	V193-V197 WeakPolarHBondContact O-CG2 3.23Å; V193-V197 PolarHBondContact O-N 2.87Å; M195-V197 PolarHBondContact O-N 3.46Å
198	R	51.3	Low	53.8	Low	221 Å²	221	80.8 Å²	80.8	83%	0.834	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.4	-26.3	-179	-70.9	-163.8	171.1	-151.1	-4	117.7	M195 V196	M195-R198 PolarHBondContact O-N 2.84Å; V196-R198 PolarHBondContact O-N 3.42Å
199	L	49.5	Very low	54.7	Low	118 Å²	118	79.8 Å²	79.8	62%	0.618	45%	0.448	S	S	*	.			trans	-137.1	108.4	-176.2	-76.4	170.8	0	0	0	112.2	M195 Q201 G202	M195-L199 PolarHBondContact O-N 3.42Å; L199-Q201 PolarHBondContact O-N 3.01Å; L199-G202 PolarHBondContact O-N 3.26Å
200	N	51.8	Low	55.7	Low	163 Å²	163	78.2 Å²	78.2	87%	0.872	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	18.9	-163.2	-144.5	16.7	0	0	0	115.8
201	Q	53.4	Low	56.1	Low	131 Å²	131	77.7 Å²	77.7	61%	0.612	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141	3.7	179.8	-61.4	-164.5	-56.8	0	0	114.1	L199 T203	L199-Q201 PolarHBondContact O-N 3.01Å; Q201-T203 PolarHBondContact O-N 3.22Å
202	G	55.9	Low	56.9	Low	26 Å²	26	76.7 Å²	76.7	27%	0.268	42%	0.422	S	S	.	.			trans	-78.5	-10.6	-167	0	0	0	0	0	117.9	L199	L199-G202 PolarHBondContact O-N 3.26Å
203	T	56.6	Low	58.1	Low	80 Å²	80	76.4 Å²	76.4	49%	0.491	42%	0.417	S	S	.	.	H	α-helix	trans	-71.6	-44	-168.1	49	0	0	0	0	114	V196 Q201 A205 I206 V207	V196-T203 HydrophobicContact CG2-CG2 3.48Å; V196-T203 VanDerWaalsContact CG2-CG2 3.48Å; Q201-T203 PolarHBondContact O-N 3.22Å; T203-A205 VanDerWaalsContact C-N 3.28Å; T203-A205 PolarHBondContact O-N 3.35Å; T203-I206 PolarHBondContact O-N 2.87Å; T203-V207 PolarHBondContact O-N 2.95Å
204	S	57.3	Low	58.9	Low	50 Å²	50	74.2 Å²	74.2	35%	0.35	40%	0.403	S	S	.	.	H	α-helix	trans	-57.7	-41.3	179.2	-176.8	0	0	0	0	112	I206 V207 L208	S204-I206 PolarHBondContact O-N 2.9Å; S204-V207 PolarHBondContact O-N 3.38Å; S204-L208 WeakPolarHBondContact O-CG 3.43Å; S204-L208 PolarHBondContact O-N 3.33Å
205	A	58.8	Low	59.9	Low	10 Å²	10	72.5 Å²	72.5	8%	0.083	39%	0.394	C	S	.	.	H	α-helix	trans	-58.3	-50.4	179.5	0	0	0	0	0	112.9	L140 T203 V207 L208 I209	L140-A205 HydrophobicContact CD1-CB 3.97Å; L140-A205 HydrophobicContact CD2-CB 3.57Å; L140-A205 HydrophobicContact CG-CB 4.4Å; T203-A205 VanDerWaalsContact C-N 3.28Å; T203-A205 PolarHBondContact O-N 3.35Å; A205-V207 VanDerWaalsContact C-N 3.3Å; A205-V207 PolarHBondContact O-N 2.89Å; A205-L208 PolarHBondContact O-N 2.96Å; A205-I209 VanDerWaalsContact O-CD1 3.28Å; A205-I209 WeakPolarHBondContact O-CD1 3.37Å; A205-I209 VanDerWaalsContact O-CG1 3.23Å; A205-I209 WeakPolarHBondContact O-CG1 3.24Å; A205-I209 PolarHBondContact O-N 3.44Å; A205-I209 VanDerWaalsContact O-N 3.08Å
206	I	62.3	Low	61	Low	18 Å²	18	67.8 Å²	67.8	9%	0.092	37%	0.371	C	S	.	.	H	α-helix	trans	-62.3	-41	-178.7	-61.1	169.1	0	0	0	110.2	L153 C188 T203 S204 S210	L153-I206 HydrophobicContact CD2-CG1 3.96Å; C188-I206 HydrophobicContact CB-CG2 4.17Å; T203-I206 PolarHBondContact O-N 2.87Å; S204-I206 PolarHBondContact O-N 2.9Å; I206-S210 VanDerWaalsContact O-CB 3.31Å; I206-S210 WeakPolarHBondContact O-CB 3.47Å; I206-S210 PolarHBondContact O-N 3.38Å; I206-S210 VanDerWaalsContact O-N 3.13Å; I206-S210 PolarHBondContact O-OG 2.89Å
207	V	64.3	Low	62	Low	89 Å²	89	66.1 Å²	66.1	54%	0.539	36%	0.359	S	S	.	.	H	α-helix	trans	-65	-50.9	178	175.4	0	0	0	0	111.4	T203 S204 A205 I209 S210 V211	T203-V207 PolarHBondContact O-N 2.95Å; S204-V207 PolarHBondContact O-N 3.38Å; A205-V207 VanDerWaalsContact C-N 3.3Å; A205-V207 PolarHBondContact O-N 2.89Å; V207-I209 PolarHBondContact O-N 3.17Å; V207-S210 PolarHBondContact O-N 2.87Å; V207-V211 HydrophobicContact CG1-CG2 4.35Å; V207-V211 WeakPolarHBondContact O-CG2 3.28Å; V207-V211 PolarHBondContact O-N 2.92Å
208	L	63.4	Low	62.8	Low	62 Å²	62	65.5 Å²	65.5	33%	0.325	35%	0.351	S	S	.	.	H	α-helix	trans	-61.4	-43.5	-177.6	-74.2	167.9	0	0	0	112.8	V136 Y139 S204 A205 S210 V211 A212	V136-L208 HydrophobicContact CG1-CB 4.34Å; Y139-L208 HydrophobicContact CD1-CD1 3.64Å; Y139-L208 HydrophobicContact CE1-CD1 3.36Å; S204-L208 WeakPolarHBondContact O-CG 3.43Å; S204-L208 PolarHBondContact O-N 3.33Å; A205-L208 PolarHBondContact O-N 2.96Å; L208-S210 VanDerWaalsContact C-N 3.33Å; L208-S210 PolarHBondContact O-N 2.99Å; L208-V211 PolarHBondContact O-N 3.02Å; L208-A212 WeakPolarHBondContact O-CB 3.43Å; L208-A212 PolarHBondContact O-N 3.39Å
209	I	70.4	Confident	63.4	Low	5 Å²	5	56.4 Å²	56.4	3%	0.026	32%	0.321	C	S	.	.	H	α-helix	trans	-63.1	-42.1	176.5	-63.1	159.6	0	0	0	110.4	V136 L140 L150 L153 L154 A205 V207 R213	V136-I209 HydrophobicContact CG1-CG1 4.12Å; L140-I209 HydrophobicContact CD1-CD1 3.76Å; L140-I209 HydrophobicContact CD1-CG1 3.85Å; L150-I209 HydrophobicContact CD1-CD1 3.39Å; L150-I209 HydrophobicContact CD1-CG1 4.08Å; L153-I209 HydrophobicContact CD2-CD1 3.63Å; L153-I209 HydrophobicContact CG-CD1 4.46Å; L154-I209 HydrophobicContact CD1-CG2 4.36Å; A205-I209 VanDerWaalsContact O-CD1 3.28Å; A205-I209 WeakPolarHBondContact O-CD1 3.37Å; A205-I209 VanDerWaalsContact O-CG1 3.23Å; A205-I209 WeakPolarHBondContact O-CG1 3.24Å; A205-I209 PolarHBondContact O-N 3.44Å; A205-I209 VanDerWaalsContact O-N 3.08Å; V207-I209 PolarHBondContact O-N 3.17Å; I209-R213 WeakPolarHBondContact O-CB 3.33Å; I209-R213 PolarHBondContact O-N 3.5Å
210	S	70.7	Confident	64.3	Low	20 Å²	20	51 Å²	51	14%	0.14	29%	0.293	C	S	.	.	H	α-helix	trans	-66.8	-38.2	179.7	-56.4	0	0	0	0	112.3	C188 I206 V207 L208 R213 T214	C188-S210 PolarHBondContact SG-OG 3Å; C188-S210 VanDerWaalsContact SG-OG 3.34Å; I206-S210 VanDerWaalsContact O-CB 3.31Å; I206-S210 WeakPolarHBondContact O-CB 3.47Å; I206-S210 PolarHBondContact O-N 3.38Å; I206-S210 VanDerWaalsContact O-N 3.13Å; I206-S210 PolarHBondContact O-OG 2.89Å; V207-S210 PolarHBondContact O-N 2.87Å; L208-S210 VanDerWaalsContact C-N 3.33Å; L208-S210 PolarHBondContact O-N 2.99Å; S210-R213 PolarHBondContact O-N 2.81Å; S210-T214 WeakPolarHBondContact O-CG2 3.42Å; S210-T214 PolarHBondContact O-N 3.35Å; S210-T214 PolarHBondContact O-OG1 3.32Å
211	V	68	Low	65	Low	71 Å²	71	48.6 Å²	48.6	43%	0.43	28%	0.276	S	S	.	.	H	α-helix	trans	-67.7	-48.3	175.1	171.9	0	0	0	0	111.2	V207 L208 R213 T214 I215	V207-V211 HydrophobicContact CG1-CG2 4.35Å; V207-V211 WeakPolarHBondContact O-CG2 3.28Å; V207-V211 PolarHBondContact O-N 2.92Å; L208-V211 PolarHBondContact O-N 3.02Å; V211-R213 PolarHBondContact O-N 3.1Å; V211-T214 PolarHBondContact O-N 2.93Å; V211-T214 PolarHBondContact O-OG1 3.05Å; V211-I215 HydrophobicContact CG1-CD1 3.73Å; V211-I215 HydrophobicContact CG1-CG1 4.49Å; V211-I215 WeakPolarHBondContact O-CB 3.26Å; V211-I215 VanDerWaalsContact O-CG1 3.27Å; V211-I215 WeakPolarHBondContact O-CG1 3.47Å; V211-I215 PolarHBondContact O-N 3.36Å
212	A	68	Low	65.4	Low	11 Å²	11	49.5 Å²	49.5	9%	0.091	28%	0.278	C	S	.	.	H	α-helix	trans	-58.8	-37	175.3	0	0	0	0	0	112.3	F133 V136 L208 S216	F133-A212 HydrophobicContact CD1-CB 4.28Å; F133-A212 HydrophobicContact CE1-CB 3.89Å; F133-A212 HydrophobicContact CZ-CB 4.18Å; V136-A212 HydrophobicContact CG2-CB 4.46Å; L208-A212 WeakPolarHBondContact O-CB 3.43Å; L208-A212 PolarHBondContact O-N 3.39Å; A212-S216 WeakPolarHBondContact O-CB 3.36Å; A212-S216 PolarHBondContact O-N 2.96Å; A212-S216 PolarHBondContact O-OG 2.96Å
213	R	74.4	Confident	65.9	Low	7 Å²	7	50.3 Å²	50.3	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-69.3	-47.1	178	-172.9	174.9	-170.8	114.7	16.4	113.3	F133 L154 C157 E161 I209 S210 V211 S216 L217	F133-R213 HydrophobicContact CZ-CB 4.48Å; L154-R213 PolarHBondContact O-NH1 3.28Å; C157-R213 VanDerWaalsContact CB-NH1 3.31Å; C157-R213 PolarHBondContact O-NH2 3.49Å; E161-R213 VanDerWaalsContact CD-NE 3.26Å; E161-R213 VanDerWaalsContact CD-NH2 3.32Å; E161-R213 WeakPolarHBondContact OE1-CD 3.18Å; E161-R213 IonicContact OE1-CZ 3.55Å; E161-R213 IonicContact OE1-NE 3.46Å; E161-R213 PolarHBondContact OE1-NE 2.94Å; E161-R213 IonicContact OE1-NH2 3.52Å; E161-R213 IonicContact OE2-CZ 3.63Å; E161-R213 IonicContact OE2-NE 3Å; E161-R213 PolarHBondContact OE2-NE 3.05Å; E161-R213 IonicContact OE2-NH2 3.86Å; E161-R213 PolarHBondContact OE2-NH2 3.49Å; I209-R213 WeakPolarHBondContact O-CB 3.33Å; I209-R213 PolarHBondContact O-N 3.5Å; S210-R213 PolarHBondContact O-N 2.81Å; V211-R213 PolarHBondContact O-N 3.1Å; R213-S216 WeakPolarHBondContact O-CB 3.43Å; R213-S216 PolarHBondContact O-N 3.25Å; R213-L217 WeakPolarHBondContact O-CG 3.39Å; R213-L217 PolarHBondContact O-N 3.31Å
214	T	68.9	Low	66.5	Low	56 Å²	56	56.5 Å²	56.5	34%	0.344	29%	0.292	S	S	.	.	H	α-helix	trans	-63.7	-42.3	175.7	48	0	0	0	0	111.9	S210 V211 S216 L217 L218	S210-T214 WeakPolarHBondContact O-CG2 3.42Å; S210-T214 PolarHBondContact O-N 3.35Å; S210-T214 PolarHBondContact O-OG1 3.32Å; V211-T214 PolarHBondContact O-N 2.93Å; V211-T214 PolarHBondContact O-OG1 3.05Å; T214-S216 VanDerWaalsContact C-N 3.29Å; T214-S216 PolarHBondContact O-N 3.22Å; T214-L217 PolarHBondContact O-N 2.95Å; T214-L218 WeakPolarHBondContact O-CG 3.3Å; T214-L218 PolarHBondContact O-N 3.43Å
215	I	69.1	Low	66.7	Low	88 Å²	88	54.9 Å²	54.9	45%	0.451	28%	0.284	S	S	.	.	H	α-helix	trans	-58.5	-41.3	172.2	-68.4	168.8	0	0	0	111	V211 S219	V211-I215 HydrophobicContact CG1-CD1 3.73Å; V211-I215 HydrophobicContact CG1-CG1 4.49Å; V211-I215 WeakPolarHBondContact O-CB 3.26Å; V211-I215 VanDerWaalsContact O-CG1 3.27Å; V211-I215 WeakPolarHBondContact O-CG1 3.47Å; V211-I215 PolarHBondContact O-N 3.36Å; I215-S219 WeakPolarHBondContact O-CB 3.27Å; I215-S219 PolarHBondContact O-N 2.95Å; I215-S219 PolarHBondContact O-OG 2.93Å
216	S	71.3	Confident	67	Low	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.2	-46.2	176.9	-61	0	0	0	0	112.5	F133 A212 R213 T214 S219 L220	F133-S216 VanDerWaalsContact CE2-OG 3.26Å; F133-S216 WeakPolarHBondContact CE2-OG 3.46Å; A212-S216 WeakPolarHBondContact O-CB 3.36Å; A212-S216 PolarHBondContact O-N 2.96Å; A212-S216 PolarHBondContact O-OG 2.96Å; R213-S216 WeakPolarHBondContact O-CB 3.43Å; R213-S216 PolarHBondContact O-N 3.25Å; T214-S216 VanDerWaalsContact C-N 3.29Å; T214-S216 PolarHBondContact O-N 3.22Å; S216-S219 PolarHBondContact O-N 3.35Å; S216-L220 WeakPolarHBondContact O-CB 3.46Å; S216-L220 VanDerWaalsContact O-CG 3.24Å; S216-L220 WeakPolarHBondContact O-CG 3.4Å; S216-L220 PolarHBondContact O-N 3.12Å
217	L	67.3	Low	67.2	Low	46 Å²	46	64.5 Å²	64.5	24%	0.241	33%	0.329	C	S	.	.	H	α-helix	trans	-65.6	-39.1	-179.7	-69.7	171.6	0	0	0	112.7	R213 T214 R228 A232	R213-L217 WeakPolarHBondContact O-CG 3.39Å; R213-L217 PolarHBondContact O-N 3.31Å; T214-L217 PolarHBondContact O-N 2.95Å; L217-R228 HydrophobicContact CD2-CB 4.32Å; L217-A232 HydrophobicContact CD2-CB 4.09Å
218	L	65.3	Low	67.5	Low	104 Å²	104	63.1 Å²	63.1	55%	0.545	31%	0.314	S	S	.	.	H	α-helix	trans	-69.1	-42.4	174.3	-67.4	169.8	0	0	0	111.7	L177 T214 L220 H221	L177-L218 HydrophobicContact CD2-CD2 4.06Å; L177-L218 HydrophobicContact CG-CD2 4.36Å; T214-L218 WeakPolarHBondContact O-CG 3.3Å; T214-L218 PolarHBondContact O-N 3.43Å; L218-L220 PolarHBondContact O-N 3.48Å; L218-H221 PolarHBondContact O-N 2.84Å
219	S	65.7	Low	68	Low	29 Å²	29	60.3 Å²	60.3	20%	0.203	30%	0.3	C	S	.	.	H	α-helix	trans	-60.5	-43.9	178.2	-66.1	0	0	0	0	111.7	L125 I215 S216 H221	L125-S219 WeakPolarHBondContact CD2-O 3.42Å; I215-S219 WeakPolarHBondContact O-CB 3.27Å; I215-S219 PolarHBondContact O-N 2.95Å; I215-S219 PolarHBondContact O-OG 2.93Å; S216-S219 PolarHBondContact O-N 3.35Å; S219-H221 PolarHBondContact O-N 3.39Å; S219-H221 PolarHBondContact O-ND1 3.12Å
220	L	67.9	Low	68.3	Low	5 Å²	5	65.5 Å²	65.5	3%	0.026	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-74	24.3	-178.4	-65.5	171.6	0	0	0	114.4	L126 L129 S216 L218 K222 V223 R228 V231 A232	L126-L220 HydrophobicContact CD2-CD2 4.02Å; L129-L220 HydrophobicContact CD1-CD1 4.39Å; L129-L220 HydrophobicContact CD1-CD2 4.18Å; L129-L220 HydrophobicContact CD1-CG 4.04Å; S216-L220 WeakPolarHBondContact O-CB 3.46Å; S216-L220 VanDerWaalsContact O-CG 3.24Å; S216-L220 WeakPolarHBondContact O-CG 3.4Å; S216-L220 PolarHBondContact O-N 3.12Å; L218-L220 PolarHBondContact O-N 3.48Å; L220-K222 PolarHBondContact O-N 3.44Å; L220-K222 VanDerWaalsContact O-N 3.12Å; L220-V223 HydrophobicContact CB-CB 4.39Å; L220-V223 HydrophobicContact CB-CG2 4.29Å; L220-V223 HydrophobicContact CD2-CG2 4Å; L220-V223 WeakPolarHBondContact O-CB 3.25Å; L220-V223 PolarHBondContact O-N 3.08Å; L220-R228 HydrophobicContact CB-CG 4.38Å; L220-R228 PolarHBondContact O-NE 3.2Å; L220-V231 HydrophobicContact CD1-CB 4.23Å; L220-V231 HydrophobicContact CD1-CG1 3.86Å; L220-V231 HydrophobicContact CD2-CG1 4.26Å; L220-A232 HydrophobicContact CD1-CB 4.09Å
221	H	65.3	Low	68.7	Low	112 Å²	112	66.4 Å²	66.4	52%	0.519	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-50.8	-35.3	175.2	68.7	-78.4	0	0	0	113.7	L218 S219 V223 R228	L218-H221 PolarHBondContact O-N 2.84Å; S219-H221 PolarHBondContact O-N 3.39Å; S219-H221 PolarHBondContact O-ND1 3.12Å; H221-V223 VanDerWaalsContact C-N 3.27Å; H221-V223 PolarHBondContact O-N 3.37Å; H221-R228 PolarHBondContact O-NH2 2.9Å
222	K	62.9	Low	69.3	Low	150 Å²	150	63.1 Å²	63.1	65%	0.652	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-70.2	-17.2	176.5	-59.1	-171.4	-179	178.5	0	114.2	L220	L220-K222 PolarHBondContact O-N 3.44Å; L220-K222 VanDerWaalsContact O-N 3.12Å
223	V	65.9	Low	70	Confident	43 Å²	43	65.4 Å²	65.4	26%	0.261	31%	0.312	S	S	.	.	S	Bend	trans	-83.8	140.1	173.5	179.3	0	0	0	0	109	L220 H221 G225 W227 R228 V231	L220-V223 HydrophobicContact CB-CB 4.39Å; L220-V223 HydrophobicContact CB-CG2 4.29Å; L220-V223 HydrophobicContact CD2-CG2 4Å; L220-V223 WeakPolarHBondContact O-CB 3.25Å; L220-V223 PolarHBondContact O-N 3.08Å; H221-V223 VanDerWaalsContact C-N 3.27Å; H221-V223 PolarHBondContact O-N 3.37Å; V223-G225 PolarHBondContact O-N 3.46Å; V223-W227 HydrophobicContact CG1-CB 3.85Å; V223-R228 HydrophobicContact CB-CG 4.13Å; V223-R228 HydrophobicContact CG1-CG 4.29Å; V223-R228 PolarHBondContact O-NE 3.45Å; V223-R228 PolarHBondContact O-NH2 3.41Å; V223-V231 HydrophobicContact CG1-CG2 4.47Å
224	R	68.8	Low	70.5	Confident	211 Å²	211	70.9 Å²	70.9	80%	0.796	34%	0.34	S	S	*	.			trans	-61.9	132	179.7	-167.8	165.3	-174.3	86.9	1.6	110.2	A226 W227	R224-A226 PolarHBondContact O-N 3.23Å; R224-A226 VanDerWaalsContact O-N 3.12Å; R224-W227 PolarHBondContact O-N 3Å
225	G	61.7	Low	71.3	Confident	16 Å²	16	68.8 Å²	68.8	17%	0.165	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-40	-56.2	-166.5	0	0	0	0	0	115.6	W165 V223 W227 R228	W165-G225 VanDerWaalsContact CH2-C 3.43Å; V223-G225 PolarHBondContact O-N 3.46Å; G225-W227 PolarHBondContact O-N 3.08Å; G225-R228 WeakPolarHBondContact O-CB 3.5Å; G225-R228 PolarHBondContact O-N 2.95Å
226	A	66.6	Low	72	Confident	59 Å²	59	64.6 Å²	64.6	49%	0.488	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-57.2	-20.2	-179.5	0	0	0	0	0	115.4	R224 Y230	R224-A226 PolarHBondContact O-N 3.23Å; R224-A226 VanDerWaalsContact O-N 3.12Å; A226-Y230 VanDerWaalsContact O-CD2 3.25Å; A226-Y230 WeakPolarHBondContact O-CD2 3.24Å; A226-Y230 VanDerWaalsContact O-CE2 3.28Å; A226-Y230 WeakPolarHBondContact O-CE2 3.29Å
227	W	65.8	Low	72.8	Confident	170 Å²	170	66 Å²	66	64%	0.644	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-96.1	-14.9	177.1	-68	85.8	0	0	0	113.5	V223 R224 G225 Y230 V231	V223-W227 HydrophobicContact CG1-CB 3.85Å; R224-W227 PolarHBondContact O-N 3Å; G225-W227 PolarHBondContact O-N 3.08Å; W227-Y230 PolarHBondContact O-N 3.48Å; W227-V231 WeakPolarHBondContact O-CG2 3.49Å; W227-V231 PolarHBondContact O-N 3.49Å
228	R	70.8	Confident	73.8	Confident	61 Å²	61	67.9 Å²	67.9	23%	0.23	32%	0.324	C	S	.	.	H	α-helix	trans	-55.5	-49.3	-179	-65.2	-177.5	-172.4	153	3	113.8	L217 L220 H221 V223 G225 V231 A232	L217-R228 HydrophobicContact CD2-CB 4.32Å; L220-R228 HydrophobicContact CB-CG 4.38Å; L220-R228 PolarHBondContact O-NE 3.2Å; H221-R228 PolarHBondContact O-NH2 2.9Å; V223-R228 HydrophobicContact CB-CG 4.13Å; V223-R228 HydrophobicContact CG1-CG 4.29Å; V223-R228 PolarHBondContact O-NE 3.45Å; V223-R228 PolarHBondContact O-NH2 3.41Å; G225-R228 WeakPolarHBondContact O-CB 3.5Å; G225-R228 PolarHBondContact O-N 2.95Å; R228-V231 PolarHBondContact O-N 3.34Å; R228-A232 WeakPolarHBondContact O-CB 3.44Å; R228-A232 PolarHBondContact O-N 2.7Å
229	P	72.8	Confident	74.9	Confident	3 Å²	3	62.9 Å²	62.9	2%	0.019	30%	0.298	C	S	.	.	H	α-helix	trans	-67.1	-38.1	-178.3	25.3	-33.4	0	0	0	112.8	A232 Y233	P229-A232 PolarHBondContact O-N 3.25Å; P229-Y233 VanDerWaalsContact O-CB 3.3Å; P229-Y233 WeakPolarHBondContact O-CB 3.46Å; P229-Y233 PolarHBondContact O-N 2.96Å
230	Y	77.5	Confident	75.9	Confident	114 Å²	114	61.7 Å²	61.7	45%	0.447	29%	0.29	S	S	.	.	H	α-helix	trans	-66.4	-41.5	177.7	-58.6	-74.5	0	0	0	112.3	H158 V162 A226 W227 L234	H158-Y230 AromaticContact CE1-CD1 3.84Å; H158-Y230 AromaticContact CE1-CE1 3.76Å; H158-Y230 AromaticContact NE2-CD1 3.38Å; H158-Y230 WeakPolarHBondContact NE2-CD1 3.48Å; H158-Y230 AromaticContact NE2-CE1 3.66Å; V162-Y230 HydrophobicContact CG2-CE1 4.28Å; A226-Y230 VanDerWaalsContact O-CD2 3.25Å; A226-Y230 WeakPolarHBondContact O-CD2 3.24Å; A226-Y230 VanDerWaalsContact O-CE2 3.28Å; A226-Y230 WeakPolarHBondContact O-CE2 3.29Å; W227-Y230 PolarHBondContact O-N 3.48Å; Y230-L234 WeakPolarHBondContact O-CB 3.36Å; Y230-L234 PolarHBondContact O-N 3Å
231	V	79.4	Confident	76.8	Confident	38 Å²	38	65.3 Å²	65.3	23%	0.23	31%	0.309	C	S	.	.	H	α-helix	trans	-67.9	-43.2	176	174	0	0	0	0	111	L126 L220 V223 W227 R228 Y233 L234 V235	L126-V231 HydrophobicContact CD2-CG1 3.93Å; L220-V231 HydrophobicContact CD1-CB 4.23Å; L220-V231 HydrophobicContact CD1-CG1 3.86Å; L220-V231 HydrophobicContact CD2-CG1 4.26Å; V223-V231 HydrophobicContact CG1-CG2 4.47Å; W227-V231 WeakPolarHBondContact O-CG2 3.49Å; W227-V231 PolarHBondContact O-N 3.49Å; R228-V231 PolarHBondContact O-N 3.34Å; V231-Y233 PolarHBondContact O-N 3.2Å; V231-L234 PolarHBondContact O-N 3.45Å; V231-V235 WeakPolarHBondContact O-CB 3.46Å; V231-V235 WeakPolarHBondContact O-CG2 3.42Å; V231-V235 PolarHBondContact O-N 2.81Å
232	A	79.6	Confident	77.9	Confident	3 Å²	3	63.3 Å²	63.3	3%	0.025	30%	0.301	C	S	.	.	H	α-helix	trans	-61.5	-41.9	175.6	0	0	0	0	0	112.1	L217 L220 R228 P229 G236	L217-A232 HydrophobicContact CD2-CB 4.09Å; L220-A232 HydrophobicContact CD1-CB 4.09Å; R228-A232 WeakPolarHBondContact O-CB 3.44Å; R228-A232 PolarHBondContact O-N 2.7Å; P229-A232 PolarHBondContact O-N 3.25Å; A232-G236 PolarHBondContact O-N 3.45Å
233	Y	82.8	Confident	78.9	Confident	59 Å²	59	56.1 Å²	56.1	23%	0.231	27%	0.27	C	S	.	.	H	α-helix	trans	-64.6	-45.9	175.7	175.5	-97.6	0	0	0	112.3	L154 T155 H158 P229 V231 V235 G236 V237	L154-Y233 HydrophobicContact CB-CE2 4.39Å; L154-Y233 HydrophobicContact CD2-CD2 3.89Å; L154-Y233 HydrophobicContact CD2-CE2 3.79Å; L154-Y233 HydrophobicContact CG-CD2 3.84Å; L154-Y233 HydrophobicContact CG-CE2 3.86Å; T155-Y233 HydrophobicContact CG2-CE2 3.89Å; T155-Y233 WeakPolarHBondContact CG2-OH 3.39Å; H158-Y233 HydrophobicContact CB-CD2 3.76Å; H158-Y233 HydrophobicContact CB-CE2 4.34Å; H158-Y233 HydrophobicContact CB-CG 4.26Å; H158-Y233 AromaticContact CD2-CG 3.87Å; P229-Y233 VanDerWaalsContact O-CB 3.3Å; P229-Y233 WeakPolarHBondContact O-CB 3.46Å; P229-Y233 PolarHBondContact O-N 2.96Å; V231-Y233 PolarHBondContact O-N 3.2Å; Y233-V235 VanDerWaalsContact C-N 3.33Å; Y233-V235 PolarHBondContact O-N 3.42Å; Y233-G236 PolarHBondContact O-N 2.96Å; Y233-V237 HydrophobicContact CD1-CG2 4.3Å; Y233-V237 HydrophobicContact CD2-CG2 4.39Å; Y233-V237 HydrophobicContact CE1-CG2 3.72Å; Y233-V237 HydrophobicContact CE2-CG2 3.83Å; Y233-V237 VanDerWaalsContact CZ-CG2 3.42Å; Y233-V237 WeakPolarHBondContact O-CG2 3.4Å; Y233-V237 PolarHBondContact O-N 2.93Å
234	L	84.9	Confident	79.7	Confident	121 Å²	121	59.2 Å²	59.2	63%	0.634	28%	0.277	S	S	*	.	H	α-helix	trans	-59.7	-43.5	177.5	-175.9	68.5	0	0	0	111.9	Y230 V231 L238	Y230-L234 WeakPolarHBondContact O-CB 3.36Å; Y230-L234 PolarHBondContact O-N 3Å; V231-L234 PolarHBondContact O-N 3.45Å; L234-L238 WeakPolarHBondContact O-CB 3.5Å; L234-L238 PolarHBondContact O-N 3.35Å
235	V	86.3	Confident	80.4	Confident	12 Å²	12	56.2 Å²	56.2	7%	0.073	27%	0.267	C	S	.	.	H	α-helix	trans	-64.4	-39.9	175.5	164.7	0	0	0	0	111.7	L126 L129 V130 F133 V231 Y233 L238 G239	L126-V235 HydrophobicContact CD2-CG2 3.95Å; L129-V235 HydrophobicContact CB-CG1 3.63Å; V130-V235 HydrophobicContact CG2-CB 4.47Å; V130-V235 HydrophobicContact CG2-CG1 3.82Å; V130-V235 HydrophobicContact CG2-CG2 4.39Å; F133-V235 HydrophobicContact CD2-CG1 4.09Å; F133-V235 HydrophobicContact CE2-CG1 4.46Å; V231-V235 WeakPolarHBondContact O-CB 3.46Å; V231-V235 WeakPolarHBondContact O-CG2 3.42Å; V231-V235 PolarHBondContact O-N 2.81Å; Y233-V235 VanDerWaalsContact C-N 3.33Å; Y233-V235 PolarHBondContact O-N 3.42Å; V235-L238 PolarHBondContact O-N 3.33Å; V235-G239 PolarHBondContact O-N 3Å
236	G	84.5	Confident	81.3	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.9	-48.8	175.1	0	0	0	0	0	113.4	A232 Y233 L238 G239 I240	A232-G236 PolarHBondContact O-N 3.45Å; Y233-G236 PolarHBondContact O-N 2.96Å; G236-L238 VanDerWaalsContact C-N 3.31Å; G236-L238 PolarHBondContact O-N 2.9Å; G236-G239 PolarHBondContact O-N 3.14Å; G236-I240 WeakPolarHBondContact O-CD1 3.23Å; G236-I240 WeakPolarHBondContact O-CG1 3.15Å; G236-I240 PolarHBondContact O-N 2.83Å
237	V	87.4	Confident	81.8	Confident	29 Å²	29	55.8 Å²	55.8	18%	0.176	26%	0.255	C	S	.	.	H	α-helix	trans	-59.1	-44	174.9	173.7	0	0	0	0	110.8	L151 L154 Y233 I240 L241	L151-V237 HydrophobicContact CD2-CG1 4.43Å; L151-V237 HydrophobicContact CD2-CG2 4.34Å; L154-V237 HydrophobicContact CD2-CG2 3.65Å; Y233-V237 HydrophobicContact CD1-CG2 4.3Å; Y233-V237 HydrophobicContact CD2-CG2 4.39Å; Y233-V237 HydrophobicContact CE1-CG2 3.72Å; Y233-V237 HydrophobicContact CE2-CG2 3.83Å; Y233-V237 VanDerWaalsContact CZ-CG2 3.42Å; Y233-V237 WeakPolarHBondContact O-CG2 3.4Å; Y233-V237 PolarHBondContact O-N 2.93Å; V237-I240 PolarHBondContact O-N 3.36Å; V237-L241 HydrophobicContact CG1-CD1 3.72Å; V237-L241 HydrophobicContact CG1-CG 4.22Å; V237-L241 WeakPolarHBondContact O-CB 3.21Å; V237-L241 VanDerWaalsContact O-CG 3.3Å; V237-L241 WeakPolarHBondContact O-CG 3.45Å; V237-L241 PolarHBondContact O-N 3.25Å
238	L	89.2	Confident	82.2	Confident	86 Å²	86	56.4 Å²	56.4	45%	0.45	26%	0.257	S	S	.	.	H	α-helix	trans	-62.5	-45.1	179.4	-177.7	59.1	0	0	0	112.1	V130 L234 V235 G236 L241 L242	V130-L238 HydrophobicContact CG1-CG 4.38Å; V130-L238 HydrophobicContact CG2-CD2 4.01Å; V130-L238 HydrophobicContact CG2-CG 4.48Å; L234-L238 WeakPolarHBondContact O-CB 3.5Å; L234-L238 PolarHBondContact O-N 3.35Å; V235-L238 PolarHBondContact O-N 3.33Å; G236-L238 VanDerWaalsContact C-N 3.31Å; G236-L238 PolarHBondContact O-N 2.9Å; L238-L241 PolarHBondContact O-N 3.26Å; L238-L242 HydrophobicContact CD1-CD1 4.21Å; L238-L242 HydrophobicContact CD1-CG 4.37Å; L238-L242 HydrophobicContact CG-CD1 4.09Å; L238-L242 WeakPolarHBondContact O-CB 3.45Å; L238-L242 VanDerWaalsContact O-CG 3.28Å; L238-L242 WeakPolarHBondContact O-CG 3.37Å; L238-L242 PolarHBondContact O-N 3.29Å
239	G	87.7	Confident	82	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.5	-45.1	175.7	0	0	0	0	0	112.9	F134 V235 G236 L242 A243	F134-G239 WeakPolarHBondContact CA-O 3.4Å; V235-G239 PolarHBondContact O-N 3Å; G236-G239 PolarHBondContact O-N 3.14Å; G239-L242 PolarHBondContact O-N 3.33Å; G239-A243 PolarHBondContact O-N 2.92Å
240	I	86.1	Confident	81.2	Confident	4 Å²	4	64.1 Å²	64.1	2%	0.021	30%	0.302	C	S	.	.	H	α-helix	trans	-68	-37.2	179.6	-69.5	159.3	0	0	0	112.1	I147 L150 L151 L154 G236 V237 A243 R244	I147-I240 HydrophobicContact CD1-CG2 4.03Å; I147-I240 HydrophobicContact CG1-CG2 3.83Å; L150-I240 HydrophobicContact CD1-CD1 4.24Å; L150-I240 HydrophobicContact CD2-CD1 4.33Å; L150-I240 HydrophobicContact CD2-CG1 4.09Å; L150-I240 HydrophobicContact CD2-CG2 3.73Å; L150-I240 HydrophobicContact CG-CD1 3.96Å; L150-I240 HydrophobicContact CG-CG1 4.28Å; L150-I240 HydrophobicContact CG-CG2 4.08Å; L151-I240 HydrophobicContact CD2-CG2 4.03Å; L151-I240 HydrophobicContact CG-CG2 4.33Å; L154-I240 HydrophobicContact CD2-CD1 4.09Å; G236-I240 WeakPolarHBondContact O-CD1 3.23Å; G236-I240 WeakPolarHBondContact O-CG1 3.15Å; G236-I240 PolarHBondContact O-N 2.83Å; V237-I240 PolarHBondContact O-N 3.36Å; I240-A243 WeakPolarHBondContact O-CB 3.44Å; I240-A243 PolarHBondContact O-N 3.21Å; I240-R244 PolarHBondContact O-N 2.84Å; I240-R244 VanDerWaalsContact O-N 3.12Å
241	L	86.8	Confident	79.5	Confident	81 Å²	81	64.4 Å²	64.4	42%	0.424	32%	0.317	S	S	.	.	H	α-helix	trans	-69.1	-37.4	174.3	-71.4	175.1	0	0	0	112.2	V237 L238 A243 R244 Y245	V237-L241 HydrophobicContact CG1-CD1 3.72Å; V237-L241 HydrophobicContact CG1-CG 4.22Å; V237-L241 WeakPolarHBondContact O-CB 3.21Å; V237-L241 VanDerWaalsContact O-CG 3.3Å; V237-L241 WeakPolarHBondContact O-CG 3.45Å; V237-L241 PolarHBondContact O-N 3.25Å; L238-L241 PolarHBondContact O-N 3.26Å; L241-A243 VanDerWaalsContact C-N 3.34Å; L241-R244 PolarHBondContact O-N 2.74Å; L241-Y245 PolarHBondContact O-N 3.46Å; L241-Y245 VanDerWaalsContact O-N 3.08Å
242	L	87.5	Confident	77.7	Confident	69 Å²	69	70.8 Å²	70.8	36%	0.361	34%	0.342	S	S	.	.	H	α-helix	trans	-65.3	-37.3	172	-73.1	167.7	0	0	0	111.7	V130 F134 L238 G239 Y245 A246	V130-L242 HydrophobicContact CG1-CD1 3.66Å; F134-L242 HydrophobicContact CD2-CB 3.8Å; F134-L242 HydrophobicContact CE2-CB 4.36Å; L238-L242 HydrophobicContact CD1-CD1 4.21Å; L238-L242 HydrophobicContact CD1-CG 4.37Å; L238-L242 HydrophobicContact CG-CD1 4.09Å; L238-L242 WeakPolarHBondContact O-CB 3.45Å; L238-L242 VanDerWaalsContact O-CG 3.28Å; L238-L242 WeakPolarHBondContact O-CG 3.37Å; L238-L242 PolarHBondContact O-N 3.29Å; G239-L242 PolarHBondContact O-N 3.33Å; L242-Y245 WeakPolarHBondContact O-CB 3.43Å; L242-Y245 PolarHBondContact O-N 3.48Å; L242-Y245 VanDerWaalsContact O-N 3.12Å; L242-A246 PolarHBondContact O-N 3.38Å
243	A	84.9	Confident	75.8	Confident	0 Å²	0	79.2 Å²	79.2	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-60.4	-44.8	174.2	0	0	0	0	0	111.9	F134 V138 I141 G239 I240 L241 Y245 A246 D247	F134-A243 HydrophobicContact CD2-CB 4.22Å; V138-A243 HydrophobicContact CG2-CB 3.71Å; I141-A243 HydrophobicContact CD1-CB 4.11Å; G239-A243 PolarHBondContact O-N 2.92Å; I240-A243 WeakPolarHBondContact O-CB 3.44Å; I240-A243 PolarHBondContact O-N 3.21Å; L241-A243 VanDerWaalsContact C-N 3.34Å; A243-Y245 VanDerWaalsContact C-N 3.25Å; A243-Y245 PolarHBondContact O-N 3Å; A243-A246 PolarHBondContact O-N 3.21Å; A243-D247 WeakPolarHBondContact O-CB 3.35Å; A243-D247 PolarHBondContact O-N 3.44Å
244	R	83.6	Confident	73.5	Confident	107 Å²	107	79.2 Å²	79.2	40%	0.404	40%	0.398	S	S	.	.	H	α-helix	trans	-61.2	-33.4	172.9	-159.4	-158.7	-169.3	164.9	3.8	113.1	I147 I240 L241 R248	I147-R244 HydrophobicContact CD1-CB 3.65Å; I147-R244 HydrophobicContact CD1-CG 3.74Å; I240-R244 PolarHBondContact O-N 2.84Å; I240-R244 VanDerWaalsContact O-N 3.12Å; L241-R244 PolarHBondContact O-N 2.74Å; R244-R248 WeakPolarHBondContact O-CG 3.43Å; R244-R248 PolarHBondContact O-N 3.14Å
245	Y	82.2	Confident	71	Confident	149 Å²	149	76.8 Å²	76.8	58%	0.584	39%	0.389	S	S	*	.	H	α-helix	trans	-74.1	-37.3	178.6	-170.5	-115.8	0	0	0	111.1	L241 L242 A243 R248 L249	L241-Y245 PolarHBondContact O-N 3.46Å; L241-Y245 VanDerWaalsContact O-N 3.08Å; L242-Y245 WeakPolarHBondContact O-CB 3.43Å; L242-Y245 PolarHBondContact O-N 3.48Å; L242-Y245 VanDerWaalsContact O-N 3.12Å; A243-Y245 VanDerWaalsContact C-N 3.25Å; A243-Y245 PolarHBondContact O-N 3Å; Y245-R248 PolarHBondContact O-N 3.46Å; Y245-L249 HydrophobicContact CD1-CD1 3.84Å; Y245-L249 HydrophobicContact CE1-CD1 3.45Å; Y245-L249 VanDerWaalsContact CE1-CD1 3.45Å; Y245-L249 HydrophobicContact CE2-CD1 4.38Å; Y245-L249 HydrophobicContact CG-CD1 4.45Å; Y245-L249 WeakPolarHBondContact O-CG 3.3Å; Y245-L249 PolarHBondContact O-N 3.03Å
246	A	81.1	Confident	68.3	Low	16 Å²	16	84 Å²	84	13%	0.132	42%	0.422	C	S	.	.	H	α-helix	trans	-67.1	-43.6	171.5	0	0	0	0	0	112.7	F134 L242 A243 R248 L249 L250	F134-A246 HydrophobicContact CE2-CB 3.68Å; F134-A246 HydrophobicContact CZ-CB 3.77Å; L242-A246 PolarHBondContact O-N 3.38Å; A243-A246 PolarHBondContact O-N 3.21Å; A246-R248 PolarHBondContact O-N 3.23Å; A246-R248 VanDerWaalsContact O-N 3.14Å; A246-L249 PolarHBondContact O-N 2.66Å; A246-L250 HydrophobicContact CB-CD1 4.45Å; A246-L250 WeakPolarHBondContact O-CB 3.17Å; A246-L250 WeakPolarHBondContact O-CG 3.11Å; A246-L250 PolarHBondContact O-N 3.09Å
247	D	76.6	Confident	65.6	Low	49 Å²	49	90.2 Å²	90.2	26%	0.262	45%	0.448	S	S	.	.	H	α-helix	trans	-58.8	-21.8	173	174.2	73	0	0	0	113.4	I141 A243	I141-D247 HydrophobicContact CG2-CB 4.22Å; A243-D247 WeakPolarHBondContact O-CB 3.35Å; A243-D247 PolarHBondContact O-N 3.44Å
248	R	74	Confident	62.8	Low	184 Å²	184	98.1 Å²	98.1	69%	0.694	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-11.8	172.7	-78	-178.9	163.8	-157	-6.4	115	R244 Y245 A246	R244-R248 WeakPolarHBondContact O-CG 3.43Å; R244-R248 PolarHBondContact O-N 3.14Å; Y245-R248 PolarHBondContact O-N 3.46Å; A246-R248 PolarHBondContact O-N 3.23Å; A246-R248 VanDerWaalsContact O-N 3.14Å
249	L	67.6	Low	59.7	Low	114 Å²	114	96.7 Å²	96.7	60%	0.597	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	-24.1	-178.7	-74	177	0	0	0	113.1	Y245 A246	Y245-L249 HydrophobicContact CD1-CD1 3.84Å; Y245-L249 HydrophobicContact CE1-CD1 3.45Å; Y245-L249 VanDerWaalsContact CE1-CD1 3.45Å; Y245-L249 HydrophobicContact CE2-CD1 4.38Å; Y245-L249 HydrophobicContact CG-CD1 4.45Å; Y245-L249 WeakPolarHBondContact O-CG 3.3Å; Y245-L249 PolarHBondContact O-N 3.03Å; A246-L249 PolarHBondContact O-N 2.66Å
250	L	54.8	Low	56.8	Low	112 Å²	112	100.6 Å²	100.6	59%	0.586	52%	0.516	S	S	*	.	S	Bend	trans	-86.7	131.6	172	-64	172	0	0	0	108.8	A246 K252	A246-L250 HydrophobicContact CB-CD1 4.45Å; A246-L250 WeakPolarHBondContact O-CB 3.17Å; A246-L250 WeakPolarHBondContact O-CG 3.11Å; A246-L250 PolarHBondContact O-N 3.09Å; L250-K252 PolarHBondContact O-N 2.84Å
251	P	43.1	Very low	54	Low	119 Å²	119	106.2 Å²	106.2	77%	0.773	55%	0.551	S	S	*	*			trans	-56.8	138.4	168.3	-22.1	33	0	0	0	109.9	Q253	P251-Q253 VanDerWaalsContact C-N 3.35Å; P251-Q253 PolarHBondContact O-N 2.72Å
252	K	41.3	Very low	51.1	Low	173 Å²	173	107.8 Å²	107.8	75%	0.752	57%	0.566	S	S	*	*			trans	-69	89.8	178.9	-71.1	-177.1	177.4	179.6	0	110.9	L250 G254	L250-K252 PolarHBondContact O-N 2.84Å; K252-G254 VanDerWaalsContact C-N 3.34Å; K252-G254 PolarHBondContact O-N 3.04Å
253	Q	40	Very low	48.2	Very low	179 Å²	179	111.4 Å²	111.4	84%	0.836	59%	0.59	S	S	*	*			trans	-60.9	105.7	147.5	-74.1	-172.1	-34.5	0	0	106.6	P251	P251-Q253 VanDerWaalsContact C-N 3.35Å; P251-Q253 PolarHBondContact O-N 2.72Å
254	G	34.5	Very low	45.6	Very low	59 Å²	59	117.5 Å²	117.5	61%	0.608	63%	0.628	S	S	*	*			trans	-57.9	139.9	-173.7	0	0	0	0	0	111.2	K252 H256	K252-G254 VanDerWaalsContact C-N 3.34Å; K252-G254 PolarHBondContact O-N 3.04Å; G254-H256 PolarHBondContact O-N 3.23Å
255	T	31.2	Very low	42.8	Very low	71 Å²	71	116.1 Å²	116.1	44%	0.436	65%	0.647	S	S	.	*			trans	-66.5	96.6	-179.7	-49.4	0	0	0	0	110.4	H142 K257	H142-T255 WeakPolarHBondContact O-CB 3.38Å; H142-T255 WeakPolarHBondContact O-CG2 3.35Å; H142-T255 PolarHBondContact O-OG1 3.41Å; T255-K257 PolarHBondContact O-N 3.2Å
256	H	30.6	Very low	40	Very low	163 Å²	163	114.1 Å²	114.1	76%	0.755	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-51.3	122.8	158.9	-102.6	-93.5	0	0	0	108.8	G254	G254-H256 PolarHBondContact O-N 3.23Å
257	K	28.3	Very low	37.5	Very low	130 Å²	130	123.6 Å²	123.6	57%	0.565	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-90.9	131.4	155.1	-70.7	-176	179.8	179.9	0	106.6	T255	T255-K257 PolarHBondContact O-N 3.2Å
258	E	28.6	Very low	35.1	Very low	195 Å²	195	130.6 Å²	130.6	91%	0.911	73%	0.725	S	S	*	*	S	Bend	trans	-68.3	157.4	-168.9	-62.6	152.5	117.9	0	0	112.2
259	G	23.6	Very low	32.9	Very low	56 Å²	56	128.6 Å²	128.6	58%	0.577	72%	0.723	S	S	*	*			cis	-100.3	-168.6	1.5	0	0	0	0	0	114.6
260	C	25.7	Very low	31.2	Very low	82 Å²	82	130.4 Å²	130.4	55%	0.554	73%	0.732	S	S	*	*			cis	-122.5	177.1	1.6	-79.1	0	0	0	0	112.5	P539	C260-P539 HydrophobicContact CB-CG 4.44Å
261	T	27.3	Very low	29.9	Very low	123 Å²	123	129.8 Å²	129.8	76%	0.755	74%	0.735	S	S	*	*			trans	-67.4	129.3	-163.8	50.5	0	0	0	0	116
262	P	26.3	Very low	29.3	Very low	113 Å²	113	130 Å²	130	73%	0.734	73%	0.734	S	S	*	*			trans	-85	124.2	157.2	32.7	-29.8	0	0	0	110.7
263	V	26.6	Very low	28.6	Very low	145 Å²	145	130.9 Å²	130.9	88%	0.879	74%	0.738	S	S	*	*			trans	-83.8	115.7	171.4	177.4	0	0	0	0	109.2
264	T	29.6	Very low	28.2	Very low	128 Å²	128	131.8 Å²	131.8	79%	0.785	74%	0.739	S	S	*	*			trans	-94.1	132.4	-175.3	43.3	0	0	0	0	113.7
265	G	25.3	Very low	28	Very low	78 Å²	78	140.9 Å²	140.9	80%	0.804	76%	0.755	S	S	*	*			trans	61.2	97	140.7	0	0	0	0	0	119.4
266	A	23.5	Very low	27.7	Very low	108 Å²	108	148.5 Å²	148.5	89%	0.893	78%	0.776	S	S	*	*			trans	-97.2	121.1	142.5	0	0	0	0	0	108.5
267	R	28.6	Very low	27.7	Very low	215 Å²	215	151.7 Å²	151.7	81%	0.811	78%	0.781	S	S	*	*			trans	-114.9	104.7	179.5	-177.1	-174	-178.2	-173.7	0.4	109	E269	R267-E269 IonicContact NH2-OE1 3.74Å
268	E	26.1	Very low	27.6	Very low	196 Å²	196	157 Å²	157	92%	0.916	80%	0.797	S	S	*	*			trans	-115.1	151.3	167.2	-75.2	-166.3	139.8	0	0	110.6
269	E	28.9	Very low	27.5	Very low	141 Å²	141	152.5 Å²	152.5	66%	0.659	79%	0.788	S	S	*	*			trans	-113.2	132.8	-171	-62.6	-172	146.9	0	0	111.4	R267	R267-E269 IonicContact NH2-OE1 3.74Å
270	I	31	Very low	27.8	Very low	152 Å²	152	154.9 Å²	154.9	78%	0.779	80%	0.795	S	S	*	*			trans	72.5	128	148.6	-64.7	165.7	0	0	0	114.6
271	P	27.5	Very low	27.9	Very low	99 Å²	99	156 Å²	156	64%	0.643	80%	0.804	S	S	*	*				-140.7	162.3	54.1	38.7	-20.2	0	0	0	118.7	F273	P271-F273 HydrophobicContact CG-CE2 4.46Å; P271-F273 PolarHBondContact O-N 3.12Å
272	V	31.4	Very low	27.9	Very low	124 Å²	124	156 Å²	156	75%	0.752	80%	0.803	S	S	*	*			trans	-71.6	112.4	176.6	177.2	0	0	0	0	111.9	K274	V272-K274 HydrophobicContact CG1-CG 4.11Å
273	F	25.7	Very low	27.9	Very low	191 Å²	191	158.5 Å²	158.5	84%	0.838	81%	0.809	S	S	*	*			trans	-94	90.7	164.2	-90.5	-82.1	0	0	0	111.9	P271 R275	P271-F273 HydrophobicContact CG-CE2 4.46Å; P271-F273 PolarHBondContact O-N 3.12Å; F273-R275 PolarHBondContact O-N 2.94Å
274	K	32.1	Very low	27.8	Very low	198 Å²	198	156 Å²	156	86%	0.861	80%	0.804	S	S	*	*			trans	-64	96.9	166.3	-80.1	-178	176.1	175.3	0	110.2	V272	V272-K274 HydrophobicContact CG1-CG 4.11Å
275	R	30	Very low	27.8	Very low	251 Å²	251	154.5 Å²	154.5	95%	0.947	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-83	130	168.9	-131.1	175	-166.5	-179.1	4.8	111	F273	F273-R275 PolarHBondContact O-N 2.94Å
276	R	25.9	Very low	27.8	Very low	231 Å²	231	157.8 Å²	157.8	87%	0.872	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-75.5	130.6	-166.4	-172.6	-175.8	-171.1	-177.6	5.5	111.5
277	R	28.9	Very low	28	Very low	229 Å²	229	161 Å²	161	86%	0.864	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-51.6	138.7	167.4	-82.8	-175.5	172.2	-179.1	-3.2	111.2
278	R	27	Very low	28.1	Very low	242 Å²	242	155 Å²	155	91%	0.913	79%	0.792	S	S	*	*			trans	-132.4	109.3	143.2	-89.1	-165.3	170	-160.3	-2.7	109.4
279	S	26	Very low	28.1	Very low	101 Å²	101	154.1 Å²	154.1	71%	0.706	79%	0.788	S	S	*	*			trans	-63.7	170.8	148.9	-30.6	0	0	0	0	108.7
280	S	30	Very low	27.9	Very low	105 Å²	105	152.3 Å²	152.3	73%	0.734	79%	0.791	S	S	*	*			cis	-158.8	160.2	12.7	38	0	0	0	0	106.9
281	S	27.8	Very low	27.7	Very low	105 Å²	105	154.3 Å²	154.3	73%	0.734	80%	0.797	S	S	*	*				-174.6	148.3	75.6	49.6	0	0	0	0	109.8
282	V	27.3	Very low	27.6	Very low	123 Å²	123	154.5 Å²	154.5	75%	0.745	80%	0.8	S	S	*	*			cis	72.5	80.3	31.9	-173.2	0	0	0	0	111.9
283	I	27.1	Very low	27.4	Very low	166 Å²	166	155.4 Å²	155.4	85%	0.851	80%	0.801	S	S	*	*				176.5	150.2	102	-90.9	167.8	0	0	0	105.8
284	A	24.5	Very low	27.6	Very low	93 Å²	93	151 Å²	151	77%	0.769	79%	0.794	S	S	*	*			cis	-138.7	-163.4	10.3	0	0	0	0	0	112
285	S	28.7	Very low	27.4	Very low	97 Å²	97	149.9 Å²	149.9	68%	0.678	79%	0.789	S	S	*	*			trans	-124.8	177.7	152.1	66.1	0	0	0	0	110.2
286	D	25.9	Very low	27.2	Very low	147 Å²	147	143.6 Å²	143.6	79%	0.786	78%	0.783	S	S	*	*			trans	82.1	123	169.8	-48.7	5.5	0	0	0	114.8
287	M	28.2	Very low	27.5	Very low	176 Å²	176	141.4 Å²	141.4	87%	0.867	78%	0.783	S	S	*	*			cis	-137.3	155.7	31.6	-70	-177.1	63.3	0	0	113.5
288	A	29.4	Very low	27.5	Very low	87 Å²	87	141.8 Å²	141.8	72%	0.719	78%	0.784	S	S	*	*			trans	-97.4	138.4	172.6	0	0	0	0	0	112
289	H	26.5	Very low	27.9	Very low	179 Å²	179	142 Å²	142	83%	0.829	79%	0.785	S	S	*	*			trans	-150.4	106.6	144.8	-101	-62.4	0	0	0	111.3
290	S	25.7	Very low	28	Very low	102 Å²	102	143.2 Å²	143.2	71%	0.713	79%	0.789	S	S	*	*			trans	-3.1	119.7	155.2	54.4	0	0	0	0	119.2
291	Q	25.7	Very low	28.1	Very low	194 Å²	194	143.7 Å²	143.7	91%	0.907	79%	0.792	S	S	*	*				-155.4	151.3	111.7	-109.3	172.9	7.9	0	0	111.2
292	S	25.1	Very low	28.4	Very low	103 Å²	103	146.3 Å²	146.3	72%	0.72	80%	0.797	S	S	*	*			trans	-75.9	159.1	175.3	46	0	0	0	0	110.1
293	N	27.6	Very low	28.5	Very low	144 Å²	144	145.9 Å²	145.9	77%	0.77	80%	0.796	S	S	*	*				-163.4	165.5	52	-140.3	-8.9	0	0	0	115.4
294	S	30.1	Very low	28.6	Very low	99 Å²	99	143.8 Å²	143.8	69%	0.692	80%	0.795	S	S	*	*			trans	36	102.2	154.2	62.7	0	0	0	0	119.6
295	K	27.2	Very low	28.8	Very low	174 Å²	174	146.7 Å²	146.7	76%	0.757	80%	0.796	S	S	*	*			trans	-128.6	135	146	-81.5	-165.8	167.9	-175.3	0	111	E341	K295-E341 WeakPolarHBondContact CE-OE1 3.14Å; K295-E341 IonicContact NZ-OE1 2.6Å; K295-E341 PolarHBondContact NZ-OE1 3.07Å
296	S	27.2	Very low	28.7	Very low	118 Å²	118	149.9 Å²	149.9	83%	0.825	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-71.1	142.5	-176.3	47.4	0	0	0	0	112.1	R298	S296-R298 PolarHBondContact O-N 3.03Å
297	H	31	Very low	28.7	Very low	186 Å²	186	154.3 Å²	154.3	86%	0.861	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-66.5	127.6	176.1	-95.9	-66.4	0	0	0	111.1
298	R	28.8	Very low	28.7	Very low	237 Å²	237	152.2 Å²	152.2	89%	0.894	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-61.9	137	172.9	-69.8	-177.1	175.1	-171.1	-1.8	110.5	S296 T300	S296-R298 PolarHBondContact O-N 3.03Å; R298-T300 PolarHBondContact O-N 3.03Å
299	R	36	Very low	28.7	Very low	245 Å²	245	156.5 Å²	156.5	93%	0.925	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-51.7	127.1	166.7	-71.2	178.8	172.5	-178.3	-2.3	110.8
300	T	28.9	Very low	28.6	Very low	128 Å²	128	156.4 Å²	156.4	79%	0.785	81%	0.806	S	S	*	*			trans	-91.6	101.7	154.6	45.7	0	0	0	0	108.4	R298 L302	R298-T300 PolarHBondContact O-N 3.03Å; T300-L302 PolarHBondContact O-N 3.44Å
301	S	31.2	Very low	28.6	Very low	114 Å²	114	159.9 Å²	159.9	80%	0.797	82%	0.815	S	S	*	*			trans	-73.4	111	177	51.7	0	0	0	0	111
302	L	33.8	Very low	28.6	Very low	161 Å²	161	156.2 Å²	156.2	84%	0.843	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-71	154.1	163.1	-77	172.5	0	0	0	110.6	T300	T300-L302 PolarHBondContact O-N 3.44Å
303	P	29.7	Very low	28.7	Very low	113 Å²	113	162.8 Å²	162.8	73%	0.734	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-75.6	155.5	-160.5	28.5	-35.9	0	0	0	114.8
304	C	28.5	Very low	28.6	Very low	122 Å²	122	160.8 Å²	160.8	82%	0.824	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-66.7	130	170.5	178.7	0	0	0	0	111.2
305	I	29.1	Very low	28.5	Very low	155 Å²	155	163.3 Å²	163.3	80%	0.795	82%	0.818	S	S	*	*			trans	-121.3	144.1	156.2	-67.5	-178.9	0	0	0	107.3
306	Q	26.4	Very low	28.4	Very low	164 Å²	164	164.4 Å²	164.4	77%	0.766	82%	0.818	S	S	*	*			trans	-65.7	142.5	-167.7	-66.2	163.2	-76.6	0	0	112.4
307	R	27.3	Very low	28.3	Very low	240 Å²	240	165.1 Å²	165.1	91%	0.906	81%	0.812	S	S	*	*			trans	-102.8	113.9	156.8	-69.6	-171	-171.4	83.8	0.5	108
308	D	28.4	Very low	28.2	Very low	131 Å²	131	164.4 Å²	164.4	70%	0.701	81%	0.809	S	S	*	*			trans	-134.6	140.8	164.6	-102.2	-53.2	0	0	0	109
309	Q	27.9	Very low	28.1	Very low	177 Å²	177	163.5 Å²	163.5	83%	0.827	81%	0.812	S	S	*	*	S	Bend	trans	55.2	95.2	169.5	-53	-174.5	25.5	0	0	117.8
310	M	25.9	Very low	27.6	Very low	178 Å²	178	164 Å²	164	88%	0.877	81%	0.814	S	S	*	*				165.6	98.5	102.6	-86.3	-169	72.2	0	0	111.8
311	L	25.5	Very low	27.4	Very low	174 Å²	174	161.6 Å²	161.6	91%	0.911	81%	0.814	S	S	*	*			trans	-139.5	134	147.4	-86.7	-178.4	0	0	0	108.7
312	S	25.3	Very low	27.2	Very low	118 Å²	118	161.4 Å²	161.4	83%	0.825	81%	0.813	S	S	*	*			trans	-71	146.8	174.8	41.1	0	0	0	0	110.8
313	R	25.9	Very low	26.9	Very low	240 Å²	240	165.5 Å²	165.5	91%	0.906	82%	0.817	S	S	*	*			trans	-123	109.2	-179.3	-171.1	179.3	-177.9	-170	-1	111.8
314	S	27.1	Very low	26.7	Very low	102 Å²	102	164 Å²	164	71%	0.713	82%	0.823	S	S	*	*			trans	-146.8	136.3	165.6	50.3	0	0	0	0	107.3
315	E	26.4	Very low	26.7	Very low	153 Å²	153	164 Å²	164	72%	0.715	82%	0.824	S	S	*	*			cis	-159	161.7	2.7	-123	-175.2	150.2	0	0	111.1
316	W	26.3	Very low	26.7	Very low	197 Å²	197	165.7 Å²	165.7	75%	0.746	83%	0.828	S	S	*	*			trans	45.8	109.1	161	-59.1	111.3	0	0	0	122.4
317	D	25.8	Very low	26.7	Very low	133 Å²	133	163.4 Å²	163.4	71%	0.711	83%	0.831	S	S	*	*			trans	-53.6	156	138.7	-75.9	-82.9	0	0	0	111.7
318	H	27.1	Very low	26.9	Very low	170 Å²	170	158 Å²	158	79%	0.787	83%	0.829	S	S	*	*				171.4	89.7	130	-94.9	94.1	0	0	0	113.7
319	K	27	Very low	26.9	Very low	219 Å²	219	154.5 Å²	154.5	95%	0.952	82%	0.824	S	S	*	*			trans	-171.7	121.4	138.6	-112.4	165.8	-175.5	171.4	0	112.6
320	R	25.7	Very low	27.1	Very low	255 Å²	255	152.5 Å²	152.5	96%	0.962	82%	0.824	S	S	*	*			trans	-113.9	113.1	170.3	-168.3	-179.1	-66.7	-167.6	0.6	109.1
321	G	24.7	Very low	27.4	Very low	77 Å²	77	150 Å²	150	79%	0.794	82%	0.819	S	S	*	*			trans	-105	151.8	170.2	0	0	0	0	0	110.6
322	S	28	Very low	27.9	Very low	111 Å²	111	147.5 Å²	147.5	78%	0.776	81%	0.811	S	S	*	*			trans	-140.6	128.4	-171.4	177.7	0	0	0	0	113.2
323	R	27.6	Very low	28.7	Very low	246 Å²	246	150.4 Å²	150.4	93%	0.928	81%	0.814	S	S	*	*				171.8	142.6	126.7	-95	166.3	174.4	-172.7	-2.5	111.5
324	G	25.4	Very low	30.1	Very low	83 Å²	83	142.9 Å²	142.9	86%	0.856	79%	0.794	S	S	*	*			trans	165	58.8	177.6	0	0	0	0	0	112.9
325	S	27	Very low	31.6	Very low	120 Å²	120	142.6 Å²	142.6	84%	0.839	79%	0.785	S	S	*	*			trans	-87.8	129.7	-177.8	-176.1	0	0	0	0	111.8
326	Q	29.4	Very low	33.6	Very low	192 Å²	192	141.2 Å²	141.2	90%	0.897	78%	0.781	S	S	*	*			trans	-134.3	160.6	157.4	-72.1	-161.7	-1.5	0	0	110.2
327	S	27.2	Very low	35.4	Very low	116 Å²	116	134.8 Å²	134.8	81%	0.811	77%	0.77	S	S	*	*			trans	-80.3	140.5	-155.2	51.2	0	0	0	0	115.6	G329	S327-G329 PolarHBondContact O-N 2.94Å
328	S	31.9	Very low	37.6	Very low	125 Å²	125	132.2 Å²	132.2	87%	0.874	76%	0.759	S	S	*	*			trans	-63.6	111.1	165.4	-52.4	0	0	0	0	111.6
329	G	28.1	Very low	39.7	Very low	58 Å²	58	125.5 Å²	125.5	60%	0.598	73%	0.728	S	S	*	*			trans	-106.5	116.6	157.2	0	0	0	0	0	108.7	S327 T331	S327-G329 PolarHBondContact O-N 2.94Å; G329-T331 VanDerWaalsContact C-N 3.27Å; G329-T331 PolarHBondContact O-N 2.78Å
330	T	31.2	Very low	41.8	Very low	136 Å²	136	116.6 Å²	116.6	83%	0.834	70%	0.698	S	S	*	*			trans	-79	69.7	-177.4	27.2	0	0	0	0	112.3	V332	T330-V332 VanDerWaalsContact C-N 3.34Å; T330-V332 PolarHBondContact O-N 3.17Å; T330-V332 VanDerWaalsContact O-N 3.09Å
331	T	32.5	Very low	44.2	Very low	125 Å²	125	109.2 Å²	109.2	77%	0.767	68%	0.675	S	S	*	*			trans	-75.1	88.9	161.2	51.3	0	0	0	0	109.1	G329 M333	G329-T331 VanDerWaalsContact C-N 3.27Å; G329-T331 PolarHBondContact O-N 2.78Å; T331-M333 VanDerWaalsContact C-N 3.33Å; T331-M333 PolarHBondContact O-N 2.93Å
332	V	36	Very low	46.7	Very low	122 Å²	122	107.3 Å²	107.3	74%	0.739	65%	0.652	S	S	*	*			trans	-68.6	95.2	167.6	-178.9	0	0	0	0	107.5	T330 V334	T330-V332 VanDerWaalsContact C-N 3.34Å; T330-V332 PolarHBondContact O-N 3.17Å; T330-V332 VanDerWaalsContact O-N 3.09Å; V332-V334 VanDerWaalsContact C-N 3.35Å; V332-V334 HydrophobicContact CG1-CG2 4.17Å; V332-V334 PolarHBondContact O-N 3.41Å
333	M	42.9	Very low	49.3	Very low	178 Å²	178	104.8 Å²	104.8	88%	0.877	63%	0.627	S	S	*	*			trans	-70.3	96.4	167.8	-63.8	-162.7	-53.3	0	0	107.9	T331	T331-M333 VanDerWaalsContact C-N 3.33Å; T331-M333 PolarHBondContact O-N 2.93Å
334	V	55.8	Low	51.7	Low	83 Å²	83	94.4 Å²	94.4	50%	0.503	60%	0.597	S	S	.	*			trans	-70	129.6	162.8	-173.6	0	0	0	0	106.7	V332 I336 M339	V332-V334 VanDerWaalsContact C-N 3.35Å; V332-V334 HydrophobicContact CG1-CG2 4.17Å; V332-V334 PolarHBondContact O-N 3.41Å; V334-I336 PolarHBondContact O-N 3.31Å; V334-M339 HydrophobicContact CB-SD 3.84Å; V334-M339 HydrophobicContact CG1-CG 3.68Å; V334-M339 HydrophobicContact CG1-SD 3.62Å
335	D	58.2	Low	54.5	Low	96 Å²	96	95.9 Å²	95.9	51%	0.513	59%	0.585	S	S	.	*			trans	-63.7	125.8	-178.8	-175.2	-7.9	0	0	0	110.5	A337 V338 M339	D335-A337 PolarHBondContact O-N 3.26Å; D335-A337 WeakPolarHBondContact OD1-CB 3.3Å; D335-A337 PolarHBondContact OD1-N 3.41Å; D335-V338 HydrophobicContact CB-CB 4.14Å; D335-V338 HydrophobicContact CB-CG2 3.86Å; D335-V338 PolarHBondContact O-N 2.99Å; D335-M339 PolarHBondContact O-N 3.38Å
336	I	68.7	Low	57.4	Low	123 Å²	123	91.2 Å²	91.2	63%	0.631	55%	0.55	S	S	*	.	H	α-helix	trans	-59.1	-34	178.5	-63.4	175.8	0	0	0	110.1	V334 M339 G340 L374	V334-I336 PolarHBondContact O-N 3.31Å; I336-M339 PolarHBondContact O-N 3.29Å; I336-G340 PolarHBondContact O-N 3.38Å; I336-L374 HydrophobicContact CG2-CD2 3.84Å
337	A	62.6	Low	60.2	Low	62 Å²	62	84.9 Å²	84.9	51%	0.512	53%	0.525	S	S	.	.	H	α-helix	trans	-64.8	-42.7	174.6	0	0	0	0	0	111.9	D335 G340 E341	D335-A337 PolarHBondContact O-N 3.26Å; D335-A337 WeakPolarHBondContact OD1-CB 3.3Å; D335-A337 PolarHBondContact OD1-N 3.41Å; A337-G340 PolarHBondContact O-N 3.38Å; A337-E341 PolarHBondContact O-N 3.33Å
338	V	71.9	Confident	62.9	Low	80 Å²	80	84.9 Å²	84.9	49%	0.485	52%	0.516	S	S	.	.	H	α-helix	trans	-67.3	-36.4	177.9	176	0	0	0	0	111.3	D335 E341 A342	D335-V338 HydrophobicContact CB-CB 4.14Å; D335-V338 HydrophobicContact CB-CG2 3.86Å; D335-V338 PolarHBondContact O-N 2.99Å; V338-E341 PolarHBondContact O-N 2.9Å; V338-A342 WeakPolarHBondContact O-CB 3.26Å; V338-A342 PolarHBondContact O-N 3.37Å
339	M	72.4	Confident	65.4	Low	29 Å²	29	83.1 Å²	83.1	14%	0.143	50%	0.496	C	S	.	.	H	α-helix	trans	-69.3	-33.9	172.6	-73.1	174.6	58	0	0	112.6	V334 D335 I336 H343 L370 Q373 L374	V334-M339 HydrophobicContact CB-SD 3.84Å; V334-M339 HydrophobicContact CG1-CG 3.68Å; V334-M339 HydrophobicContact CG1-SD 3.62Å; D335-M339 PolarHBondContact O-N 3.38Å; I336-M339 PolarHBondContact O-N 3.29Å; M339-H343 WeakPolarHBondContact O-CB 3.39Å; M339-H343 PolarHBondContact O-N 3.06Å; M339-L370 HydrophobicContact CB-CD2 4.44Å; M339-L370 HydrophobicContact CE-CD2 4.01Å; M339-L370 HydrophobicContact CG-CD2 4.29Å; M339-Q373 HydrophobicContact CE-CB 3.35Å; M339-Q373 HydrophobicContact CE-CG 3.78Å; M339-L374 HydrophobicContact CB-CD2 4.05Å
340	G	71.4	Confident	68.2	Low	31 Å²	31	82.2 Å²	82.2	32%	0.32	48%	0.477	S	S	.	.	H	α-helix	trans	-63	-47.6	170.1	0	0	0	0	0	112.5	I336 A337 A342 H343 G344	I336-G340 PolarHBondContact O-N 3.38Å; A337-G340 PolarHBondContact O-N 3.38Å; G340-A342 PolarHBondContact O-N 3.06Å; G340-H343 PolarHBondContact O-N 3.47Å; G340-G344 PolarHBondContact O-N 3.1Å
341	E	75.9	Confident	70.5	Confident	101 Å²	101	79.5 Å²	79.5	47%	0.472	47%	0.469	S	S	.	.	H	α-helix	trans	-61.9	-41.6	175.1	-68.4	-152.6	123.1	0	0	112.2	K295 A337 V338 H343 G344 L345	K295-E341 WeakPolarHBondContact CE-OE1 3.14Å; K295-E341 IonicContact NZ-OE1 2.6Å; K295-E341 PolarHBondContact NZ-OE1 3.07Å; A337-E341 PolarHBondContact O-N 3.33Å; V338-E341 PolarHBondContact O-N 2.9Å; E341-H343 PolarHBondContact O-N 3.39Å; E341-G344 PolarHBondContact O-N 2.87Å; E341-L345 WeakPolarHBondContact O-CG 3.2Å; E341-L345 PolarHBondContact O-N 3.22Å
342	A	77.3	Confident	73	Confident	37 Å²	37	76.9 Å²	76.9	31%	0.306	45%	0.45	S	S	.	.	H	α-helix	trans	-63	-40.3	176.5	0	0	0	0	0	112.4	V338 G340 I346 L370	V338-A342 WeakPolarHBondContact O-CB 3.26Å; V338-A342 PolarHBondContact O-N 3.37Å; G340-A342 PolarHBondContact O-N 3.06Å; A342-I346 WeakPolarHBondContact O-CD1 3.32Å; A342-I346 VanDerWaalsContact O-CG1 3.27Å; A342-I346 WeakPolarHBondContact O-CG1 3.49Å; A342-I346 PolarHBondContact O-N 2.76Å; A342-I346 VanDerWaalsContact O-N 3.12Å; A342-L370 HydrophobicContact CB-CD1 4.18Å
343	H	81.8	Confident	74.8	Confident	57 Å²	57	77.3 Å²	77.3	26%	0.264	46%	0.455	S	S	.	.	H	α-helix	trans	-66.3	-41.1	174.9	-171.6	-68.6	0	0	0	111.8	M339 G340 E341 I346 T347 S367 L370 T371 L374	M339-H343 WeakPolarHBondContact O-CB 3.39Å; M339-H343 PolarHBondContact O-N 3.06Å; G340-H343 PolarHBondContact O-N 3.47Å; E341-H343 PolarHBondContact O-N 3.39Å; H343-I346 PolarHBondContact O-N 3.02Å; H343-T347 PolarHBondContact CE1-OG1 2.65Å; H343-T347 PolarHBondContact ND1-OG1 3.3Å; H343-T347 WeakPolarHBondContact O-CB 3.44Å; H343-T347 PolarHBondContact O-N 3.44Å; H343-T347 PolarHBondContact O-OG1 2.9Å; H343-S367 PolarHBondContact CD2-O 3.47Å; H343-S367 PolarHBondContact NE2-O 3.05Å; H343-S367 VanDerWaalsContact NE2-O 3.13Å; H343-S367 PolarHBondContact NE2-OG 3.35Å; H343-L370 HydrophobicContact CB-CB 4.39Å; H343-L370 HydrophobicContact CB-CD1 4.33Å; H343-T371 PolarHBondContact CD2-OG1 3.16Å; H343-T371 VanDerWaalsContact NE2-CB 3.27Å; H343-T371 WeakPolarHBondContact NE2-CB 3.45Å; H343-T371 PolarHBondContact NE2-OG1 3.17Å; H343-L374 HydrophobicContact CB-CD1 4.19Å
344	G	77.9	Confident	76.7	Confident	29 Å²	29	73.3 Å²	73.3	30%	0.299	45%	0.445	S	S	.	.	H	α-helix	trans	-56.9	-53.5	173.3	0	0	0	0	0	112.3	G340 E341 I346 T347 D348	G340-G344 PolarHBondContact O-N 3.1Å; E341-G344 PolarHBondContact O-N 2.87Å; G344-I346 VanDerWaalsContact C-N 3.29Å; G344-I346 PolarHBondContact O-N 3.37Å; G344-T347 CarbonylContact O-C 3.58Å; G344-T347 WeakPolarHBondContact O-CA 3.41Å; G344-T347 WeakPolarHBondContact O-CB 3.34Å; G344-T347 PolarHBondContact O-N 3.2Å; G344-D348 PolarHBondContact O-N 2.93Å
345	L	84.9	Confident	78.1	Confident	113 Å²	113	71.5 Å²	71.5	59%	0.592	43%	0.432	S	S	*	.	H	α-helix	trans	-60.3	-35.3	178.8	-69.2	170.9	0	0	0	113.3	E341 T347 L349	E341-L345 WeakPolarHBondContact O-CG 3.2Å; E341-L345 PolarHBondContact O-N 3.22Å; L345-T347 VanDerWaalsContact C-N 3.34Å; L345-L349 WeakPolarHBondContact O-CB 3.36Å; L345-L349 VanDerWaalsContact O-CG 3.3Å; L345-L349 WeakPolarHBondContact O-CG 3.48Å; L345-L349 PolarHBondContact O-N 3.48Å
346	I	88.3	Confident	79.5	Confident	22 Å²	22	69.8 Å²	69.8	11%	0.113	43%	0.426	C	S	.	.	H	α-helix	trans	-69.4	-34.7	174.2	-71.5	167	0	0	0	111.2	A342 H343 G344 L350 L363 V366 L370	A342-I346 WeakPolarHBondContact O-CD1 3.32Å; A342-I346 VanDerWaalsContact O-CG1 3.27Å; A342-I346 WeakPolarHBondContact O-CG1 3.49Å; A342-I346 PolarHBondContact O-N 2.76Å; A342-I346 VanDerWaalsContact O-N 3.12Å; H343-I346 PolarHBondContact O-N 3.02Å; G344-I346 VanDerWaalsContact C-N 3.29Å; G344-I346 PolarHBondContact O-N 3.37Å; I346-L350 HydrophobicContact CG2-CD1 4.06Å; I346-L350 WeakPolarHBondContact O-CB 3.39Å; I346-L350 VanDerWaalsContact O-CG 3.25Å; I346-L350 WeakPolarHBondContact O-CG 3.39Å; I346-L350 PolarHBondContact O-N 3.32Å; I346-L363 HydrophobicContact CG1-CD2 4.24Å; I346-L363 HydrophobicContact CG2-CB 4.13Å; I346-L363 HydrophobicContact CG2-CD2 4.15Å; I346-L363 WeakPolarHBondContact CG2-O 3.38Å; I346-V366 HydrophobicContact CD1-CB 4.23Å; I346-V366 HydrophobicContact CD1-CG1 3.62Å; I346-L370 HydrophobicContact CD1-CD1 3.77Å
347	T	87	Confident	79.9	Confident	60 Å²	60	68.5 Å²	68.5	37%	0.368	43%	0.428	S	S	.	.	H	α-helix	trans	-70.4	-42.8	176.5	-56	0	0	0	0	111.4	H343 G344 L345 L350 A351	H343-T347 PolarHBondContact CE1-OG1 2.65Å; H343-T347 PolarHBondContact ND1-OG1 3.3Å; H343-T347 WeakPolarHBondContact O-CB 3.44Å; H343-T347 PolarHBondContact O-N 3.44Å; H343-T347 PolarHBondContact O-OG1 2.9Å; G344-T347 CarbonylContact O-C 3.58Å; G344-T347 WeakPolarHBondContact O-CA 3.41Å; G344-T347 WeakPolarHBondContact O-CB 3.34Å; G344-T347 PolarHBondContact O-N 3.2Å; L345-T347 VanDerWaalsContact C-N 3.34Å; T347-L350 PolarHBondContact O-N 2.92Å; T347-A351 PolarHBondContact O-N 2.88Å; T347-A351 VanDerWaalsContact O-N 3.12Å
348	D	84.4	Confident	80.7	Confident	116 Å²	116	71.9 Å²	71.9	62%	0.62	43%	0.433	S	S	*	.	H	α-helix	trans	-61.4	-43.4	174.2	-69.6	-22.3	0	0	0	111.6	G344 A351	G344-D348 PolarHBondContact O-N 2.93Å; D348-A351 WeakPolarHBondContact O-CB 3.43Å; D348-A351 PolarHBondContact O-N 2.99Å
349	L	85.1	Confident	81.3	Confident	87 Å²	87	70.2 Å²	70.2	46%	0.455	42%	0.423	S	S	.	.	H	α-helix	trans	-60.4	-45.3	172.4	-75.7	168.8	0	0	0	111.4	L345 A351 D352 L355 L363	L345-L349 WeakPolarHBondContact O-CB 3.36Å; L345-L349 VanDerWaalsContact O-CG 3.3Å; L345-L349 WeakPolarHBondContact O-CG 3.48Å; L345-L349 PolarHBondContact O-N 3.48Å; L349-A351 PolarHBondContact O-N 3.28Å; L349-A351 VanDerWaalsContact O-N 3.14Å; L349-D352 WeakPolarHBondContact O-CB 3.42Å; L349-D352 PolarHBondContact O-N 3.29Å; L349-L355 HydrophobicContact CB-CD1 4.41Å; L349-L355 WeakPolarHBondContact O-CD1 3.39Å; L349-L363 HydrophobicContact CB-CD1 4.01Å; L349-L363 HydrophobicContact CD1-CD2 4.42Å
350	L	85.1	Confident	81.8	Confident	40 Å²	40	69.4 Å²	69.4	21%	0.209	42%	0.42	C	S	.	.	H	α-helix	trans	-65.1	-13	178.6	-78.8	170.3	0	0	0	114.7	I346 T347 C360 L363 R364	I346-L350 HydrophobicContact CG2-CD1 4.06Å; I346-L350 WeakPolarHBondContact O-CB 3.39Å; I346-L350 VanDerWaalsContact O-CG 3.25Å; I346-L350 WeakPolarHBondContact O-CG 3.39Å; I346-L350 PolarHBondContact O-N 3.32Å; T347-L350 PolarHBondContact O-N 2.92Å; L350-C360 HydrophobicContact CD2-CB 3.97Å; L350-C360 WeakPolarHBondContact CD2-O 3.42Å; L350-L363 HydrophobicContact CD1-CB 4.13Å; L350-L363 HydrophobicContact CD2-CB 3.71Å; L350-L363 HydrophobicContact CD2-CD1 4.37Å; L350-L363 HydrophobicContact CG-CB 3.83Å; L350-L363 HydrophobicContact CG-CD1 4.42Å; L350-R364 HydrophobicContact CD1-CG 3.72Å; L350-R364 HydrophobicContact CD2-CG 3.84Å; L350-R364 HydrophobicContact CG-CG 4.46Å
351	A	80.8	Confident	82.6	Confident	79 Å²	79	72.1 Å²	72.1	65%	0.653	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-13.3	173.4	0	0	0	0	0	113.6	T347 D348 L349 P353	T347-A351 PolarHBondContact O-N 2.88Å; T347-A351 VanDerWaalsContact O-N 3.12Å; D348-A351 WeakPolarHBondContact O-CB 3.43Å; D348-A351 PolarHBondContact O-N 2.99Å; L349-A351 PolarHBondContact O-N 3.28Å; L349-A351 VanDerWaalsContact O-N 3.14Å; A351-P353 VanDerWaalsContact O-CD 3.3Å; A351-P353 WeakPolarHBondContact O-CD 3.27Å
352	D	84.4	Confident	83.2	Confident	69 Å²	69	71 Å²	71	37%	0.369	43%	0.434	S	S	.	.			trans	-75.3	113.3	177.3	-176	-12.2	0	0	0	111.2	L349 S354 L355	L349-D352 WeakPolarHBondContact O-CB 3.42Å; L349-D352 PolarHBondContact O-N 3.29Å; D352-S354 VanDerWaalsContact CG-OG 3.23Å; D352-S354 PolarHBondContact O-N 3.25Å; D352-S354 WeakPolarHBondContact OD1-CA 3.27Å; D352-S354 VanDerWaalsContact OD1-CB 3.25Å; D352-S354 WeakPolarHBondContact OD1-CB 3.3Å; D352-S354 PolarHBondContact OD1-N 3.4Å; D352-S354 PolarHBondContact OD1-OG 3.38Å; D352-S354 PolarHBondContact OD2-OG 3.47Å; D352-S354 VanDerWaalsContact OD2-OG 3.14Å; D352-L355 HydrophobicContact CB-CD1 4.49Å; D352-L355 HydrophobicContact CB-CG 4.2Å; D352-L355 PolarHBondContact O-N 3.18Å
353	P	74.7	Confident	83.7	Confident	132 Å²	132	70.8 Å²	70.8	86%	0.857	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-6.8	-179.2	32.8	-37	0	0	0	113.7	A351	A351-P353 VanDerWaalsContact O-CD 3.3Å; A351-P353 WeakPolarHBondContact O-CD 3.27Å
354	S	81.4	Confident	83.9	Confident	93 Å²	93	74.8 Å²	74.8	65%	0.65	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-10.4	177.3	77.4	0	0	0	0	114	D352	D352-S354 VanDerWaalsContact CG-OG 3.23Å; D352-S354 PolarHBondContact O-N 3.25Å; D352-S354 WeakPolarHBondContact OD1-CA 3.27Å; D352-S354 VanDerWaalsContact OD1-CB 3.25Å; D352-S354 WeakPolarHBondContact OD1-CB 3.3Å; D352-S354 PolarHBondContact OD1-N 3.4Å; D352-S354 PolarHBondContact OD1-OG 3.38Å; D352-S354 PolarHBondContact OD2-OG 3.47Å; D352-S354 VanDerWaalsContact OD2-OG 3.14Å
355	L	85.9	Confident	84.3	Confident	45 Å²	45	76 Å²	76	24%	0.236	45%	0.447	C	S	.	.	S	Bend	trans	-67.8	139.4	-178	-82.3	-177.1	0	0	0	113.3	L349 D352 T359 C360 L363	L349-L355 HydrophobicContact CB-CD1 4.41Å; L349-L355 WeakPolarHBondContact O-CD1 3.39Å; D352-L355 HydrophobicContact CB-CD1 4.49Å; D352-L355 HydrophobicContact CB-CG 4.2Å; D352-L355 PolarHBondContact O-N 3.18Å; L355-T359 HydrophobicContact CD2-CG2 4.36Å; L355-C360 WeakPolarHBondContact CB-SG 3.27Å; L355-L363 HydrophobicContact CD1-CD1 3.96Å
356	P	87.1	Confident	84.2	Confident	61 Å²	61	74 Å²	74	40%	0.396	44%	0.439	S	S	.	.			trans	-59.7	140.3	172.1	-23.9	34	0	0	0	113	H358 T359 C360	P356-H358 WeakPolarHBondContact CB-CE1 3.47Å; P356-H358 PolarHBondContact O-N 2.98Å; P356-H358 VanDerWaalsContact O-N 3.14Å; P356-T359 WeakPolarHBondContact O-CA 3.06Å; P356-T359 WeakPolarHBondContact O-CB 3.26Å; P356-T359 PolarHBondContact O-N 3.15Å; P356-C360 PolarHBondContact O-N 2.81Å
357	S	77.3	Confident	84.1	Confident	96 Å²	96	73.7 Å²	73.7	67%	0.671	44%	0.439	S	S	*	.	H	α-helix	trans	-57.4	-31.7	-176.8	56.5	0	0	0	0	114.5	T361	S357-T361 PolarHBondContact O-N 3.01Å; S357-T361 PolarHBondContact O-OG1 3.4Å
358	H	79.3	Confident	83.7	Confident	132 Å²	132	74.2 Å²	74.2	61%	0.611	45%	0.446	S	S	*	.	H	α-helix	trans	-67.1	-43.3	174	55.3	-99.4	0	0	0	111.7	P356 T361 S362	P356-H358 WeakPolarHBondContact CB-CE1 3.47Å; P356-H358 PolarHBondContact O-N 2.98Å; P356-H358 VanDerWaalsContact O-N 3.14Å; H358-T361 PolarHBondContact O-N 2.92Å; H358-S362 PolarHBondContact O-N 3.13Å; H358-S362 PolarHBondContact O-OG 3.11Å
359	T	84.9	Confident	83.2	Confident	46 Å²	46	74.5 Å²	74.5	28%	0.282	45%	0.446	S	S	.	.	H	α-helix	trans	-62.2	-45.7	175.7	-47.4	0	0	0	0	110.8	L355 P356 T361 S362 L363	L355-T359 HydrophobicContact CD2-CG2 4.36Å; P356-T359 WeakPolarHBondContact O-CA 3.06Å; P356-T359 WeakPolarHBondContact O-CB 3.26Å; P356-T359 PolarHBondContact O-N 3.15Å; T359-T361 VanDerWaalsContact C-N 3.26Å; T359-T361 PolarHBondContact O-N 3.49Å; T359-S362 PolarHBondContact O-N 3.21Å; T359-L363 HydrophobicContact CG2-CD1 4.01Å; T359-L363 HydrophobicContact CG2-CG 4.41Å; T359-L363 WeakPolarHBondContact O-CB 3.37Å; T359-L363 WeakPolarHBondContact O-CG 3.4Å; T359-L363 PolarHBondContact O-N 3.18Å
360	C	83.8	Confident	82.7	Confident	12 Å²	12	71.8 Å²	71.8	8%	0.081	43%	0.432	C	S	.	.	H	α-helix	trans	-62.7	-31.5	176.3	-63.8	0	0	0	0	113.2	L350 L355 P356 R364	L350-C360 HydrophobicContact CD2-CB 3.97Å; L350-C360 WeakPolarHBondContact CD2-O 3.42Å; L355-C360 WeakPolarHBondContact CB-SG 3.27Å; P356-C360 PolarHBondContact O-N 2.81Å; C360-R364 VanDerWaalsContact O-CG 3.27Å; C360-R364 WeakPolarHBondContact O-CG 3.49Å; C360-R364 PolarHBondContact O-N 3.47Å
361	T	87.1	Confident	82	Confident	88 Å²	88	72.5 Å²	72.5	54%	0.54	44%	0.438	S	S	.	.	H	α-helix	trans	-72.3	-44.1	176.8	-54.3	0	0	0	0	110.9	S357 H358 T359 R364 A365	S357-T361 PolarHBondContact O-N 3.01Å; S357-T361 PolarHBondContact O-OG1 3.4Å; H358-T361 PolarHBondContact O-N 2.92Å; T359-T361 VanDerWaalsContact C-N 3.26Å; T359-T361 PolarHBondContact O-N 3.49Å; T361-R364 PolarHBondContact O-N 3.38Å; T361-A365 PolarHBondContact O-N 2.78Å
362	S	88	Confident	80.9	Confident	78 Å²	78	72.4 Å²	72.4	55%	0.545	43%	0.43	S	S	.	.	H	α-helix	trans	-62.4	-45.1	174.6	-59.5	0	0	0	0	112.6	H358 T359 R364 A365 V366	H358-S362 PolarHBondContact O-N 3.13Å; H358-S362 PolarHBondContact O-OG 3.11Å; T359-S362 PolarHBondContact O-N 3.21Å; S362-R364 PolarHBondContact O-N 3.25Å; S362-A365 WeakPolarHBondContact O-CB 3.4Å; S362-A365 PolarHBondContact O-N 3.23Å; S362-V366 PolarHBondContact O-N 2.6Å; S362-V366 VanDerWaalsContact O-N 3.09Å
363	L	88.4	Confident	79.6	Confident	31 Å²	31	75.2 Å²	75.2	16%	0.162	44%	0.441	C	S	.	.	H	α-helix	trans	-62.3	-40.3	178.7	-75.1	172.1	0	0	0	112.1	I346 L349 L350 L355 T359 A365 V366 S367	I346-L363 HydrophobicContact CG1-CD2 4.24Å; I346-L363 HydrophobicContact CG2-CB 4.13Å; I346-L363 HydrophobicContact CG2-CD2 4.15Å; I346-L363 WeakPolarHBondContact CG2-O 3.38Å; L349-L363 HydrophobicContact CB-CD1 4.01Å; L349-L363 HydrophobicContact CD1-CD2 4.42Å; L350-L363 HydrophobicContact CD1-CB 4.13Å; L350-L363 HydrophobicContact CD2-CB 3.71Å; L350-L363 HydrophobicContact CD2-CD1 4.37Å; L350-L363 HydrophobicContact CG-CB 3.83Å; L350-L363 HydrophobicContact CG-CD1 4.42Å; L355-L363 HydrophobicContact CD1-CD1 3.96Å; T359-L363 HydrophobicContact CG2-CD1 4.01Å; T359-L363 HydrophobicContact CG2-CG 4.41Å; T359-L363 WeakPolarHBondContact O-CB 3.37Å; T359-L363 WeakPolarHBondContact O-CG 3.4Å; T359-L363 PolarHBondContact O-N 3.18Å; L363-A365 VanDerWaalsContact C-N 3.33Å; L363-A365 PolarHBondContact O-N 2.92Å; L363-V366 PolarHBondContact O-N 2.92Å; L363-S367 WeakPolarHBondContact O-CB 3.4Å; L363-S367 PolarHBondContact O-N 2.75Å
364	R	86.6	Confident	78.7	Confident	142 Å²	142	72.1 Å²	72.1	54%	0.536	42%	0.416	S	S	.	.	H	α-helix	trans	-63.4	-37	174	-73.7	173.6	-161.1	130.3	4.2	112.7	L350 C360 T361 S362 S368	L350-R364 HydrophobicContact CD1-CG 3.72Å; L350-R364 HydrophobicContact CD2-CG 3.84Å; L350-R364 HydrophobicContact CG-CG 4.46Å; C360-R364 VanDerWaalsContact O-CG 3.27Å; C360-R364 WeakPolarHBondContact O-CG 3.49Å; C360-R364 PolarHBondContact O-N 3.47Å; T361-R364 PolarHBondContact O-N 3.38Å; S362-R364 PolarHBondContact O-N 3.25Å; R364-S368 WeakPolarHBondContact O-CB 3.25Å; R364-S368 PolarHBondContact O-N 2.73Å
365	A	86.1	Confident	77	Confident	54 Å²	54	72.5 Å²	72.5	45%	0.446	42%	0.415	S	S	.	.	H	α-helix	trans	-65	-43.3	175.9	0	0	0	0	0	111.8	T361 S362 L363 S368 L369	T361-A365 PolarHBondContact O-N 2.78Å; S362-A365 WeakPolarHBondContact O-CB 3.4Å; S362-A365 PolarHBondContact O-N 3.23Å; L363-A365 VanDerWaalsContact C-N 3.33Å; L363-A365 PolarHBondContact O-N 2.92Å; A365-S368 PolarHBondContact O-N 3.37Å; A365-L369 WeakPolarHBondContact O-CG 3.21Å; A365-L369 PolarHBondContact O-N 3.37Å; A365-L369 VanDerWaalsContact O-N 3.12Å
366	V	83.4	Confident	74.7	Confident	70 Å²	70	78.6 Å²	78.6	42%	0.424	44%	0.44	S	S	.	.	H	α-helix	trans	-67.7	-41.3	176.3	-177.8	0	0	0	0	111.5	I346 S362 L363 S368 L369 L370	I346-V366 HydrophobicContact CD1-CB 4.23Å; I346-V366 HydrophobicContact CD1-CG1 3.62Å; S362-V366 PolarHBondContact O-N 2.6Å; S362-V366 VanDerWaalsContact O-N 3.09Å; L363-V366 PolarHBondContact O-N 2.92Å; V366-S368 PolarHBondContact O-N 2.78Å; V366-L369 PolarHBondContact O-N 3.02Å; V366-L370 HydrophobicContact CG1-CD1 4.28Å; V366-L370 WeakPolarHBondContact O-CG 3.28Å; V366-L370 PolarHBondContact O-N 3.17Å
367	S	84.8	Confident	72.2	Confident	16 Å²	16	84.1 Å²	84.1	11%	0.112	46%	0.461	C	S	.	.	H	α-helix	trans	-54.7	-50.2	172.3	171	0	0	0	0	111.6	H343 L363 L369 L370 T371	H343-S367 PolarHBondContact CD2-O 3.47Å; H343-S367 PolarHBondContact NE2-O 3.05Å; H343-S367 VanDerWaalsContact NE2-O 3.13Å; H343-S367 PolarHBondContact NE2-OG 3.35Å; L363-S367 WeakPolarHBondContact O-CB 3.4Å; L363-S367 PolarHBondContact O-N 2.75Å; S367-L369 VanDerWaalsContact C-N 3.35Å; S367-L369 PolarHBondContact O-N 3.07Å; S367-L370 PolarHBondContact O-N 3.47Å; S367-L370 VanDerWaalsContact O-N 3.15Å; S367-T371 PolarHBondContact O-N 3.38Å; S367-T371 PolarHBondContact O-OG1 2.75Å
368	S	78.6	Confident	70	Confident	72 Å²	72	85.8 Å²	85.8	50%	0.503	47%	0.469	S	S	.	.	H	α-helix	trans	-59.5	-42.2	178.5	-174.5	0	0	0	0	112.7	R364 A365 V366 L370 T371 T372	R364-S368 WeakPolarHBondContact O-CB 3.25Å; R364-S368 PolarHBondContact O-N 2.73Å; A365-S368 PolarHBondContact O-N 3.37Å; V366-S368 PolarHBondContact O-N 2.78Å; S368-L370 PolarHBondContact O-N 2.72Å; S368-T371 PolarHBondContact O-N 2.84Å; S368-T372 PolarHBondContact O-N 3.28Å
369	L	75.3	Confident	67.5	Low	121 Å²	121	87.6 Å²	87.6	63%	0.634	48%	0.483	S	S	*	.	H	α-helix	trans	-63.9	-36.3	175.6	-71.6	169.6	0	0	0	112.9	A365 V366 S367 T372	A365-L369 WeakPolarHBondContact O-CG 3.21Å; A365-L369 PolarHBondContact O-N 3.37Å; A365-L369 VanDerWaalsContact O-N 3.12Å; V366-L369 PolarHBondContact O-N 3.02Å; S367-L369 VanDerWaalsContact C-N 3.35Å; S367-L369 PolarHBondContact O-N 3.07Å; L369-T372 PolarHBondContact O-OG1 3.38Å; L369-T372 VanDerWaalsContact O-OG1 3.08Å
370	L	74.4	Confident	65	Low	31 Å²	31	94.2 Å²	94.2	16%	0.162	51%	0.51	C	S	.	.	H	α-helix	trans	-71.7	-38.3	172.9	-69.7	170.8	0	0	0	112	M339 A342 H343 I346 V366 S367 S368 T372 Q373 L374	M339-L370 HydrophobicContact CB-CD2 4.44Å; M339-L370 HydrophobicContact CE-CD2 4.01Å; M339-L370 HydrophobicContact CG-CD2 4.29Å; A342-L370 HydrophobicContact CB-CD1 4.18Å; H343-L370 HydrophobicContact CB-CB 4.39Å; H343-L370 HydrophobicContact CB-CD1 4.33Å; I346-L370 HydrophobicContact CD1-CD1 3.77Å; V366-L370 HydrophobicContact CG1-CD1 4.28Å; V366-L370 WeakPolarHBondContact O-CG 3.28Å; V366-L370 PolarHBondContact O-N 3.17Å; S367-L370 PolarHBondContact O-N 3.47Å; S367-L370 VanDerWaalsContact O-N 3.15Å; S368-L370 PolarHBondContact O-N 2.72Å; L370-T372 VanDerWaalsContact C-N 3.3Å; L370-T372 PolarHBondContact O-N 3.08Å; L370-Q373 PolarHBondContact O-N 2.94Å; L370-Q373 VanDerWaalsContact O-N 3.16Å; L370-L374 WeakPolarHBondContact O-CG 3.46Å; L370-L374 PolarHBondContact O-N 3.47Å
371	T	70.3	Confident	62.3	Low	54 Å²	54	105.2 Å²	105.2	33%	0.331	55%	0.55	S	S	.	.	H	α-helix	trans	-60.8	-38.2	-178.3	-42.4	0	0	0	0	112.2	H343 S367 S368 Q373 L374 T375	H343-T371 PolarHBondContact CD2-OG1 3.16Å; H343-T371 VanDerWaalsContact NE2-CB 3.27Å; H343-T371 WeakPolarHBondContact NE2-CB 3.45Å; H343-T371 PolarHBondContact NE2-OG1 3.17Å; S367-T371 PolarHBondContact O-N 3.38Å; S367-T371 PolarHBondContact O-OG1 2.75Å; S368-T371 PolarHBondContact O-N 2.84Å; T371-Q373 PolarHBondContact O-N 3.46Å; T371-L374 PolarHBondContact O-N 2.98Å; T371-T375 PolarHBondContact O-OG1 3.3Å
372	T	56.3	Low	59.5	Low	78 Å²	78	106.7 Å²	106.7	48%	0.479	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.2	-13.5	-179.3	53.8	0	0	0	0	114.2	S368 L369 L370 F376	S368-T372 PolarHBondContact O-N 3.28Å; L369-T372 PolarHBondContact O-OG1 3.38Å; L369-T372 VanDerWaalsContact O-OG1 3.08Å; L370-T372 VanDerWaalsContact C-N 3.3Å; L370-T372 PolarHBondContact O-N 3.08Å; T372-F376 WeakPolarHBondContact O-CE2 3.4Å
373	Q	56.9	Low	56.7	Low	128 Å²	128	114.1 Å²	114.1	60%	0.598	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-33.6	173.3	-66	-78.9	-21.8	0	0	111.8	M339 L370 T371 T375	M339-Q373 HydrophobicContact CE-CB 3.35Å; M339-Q373 HydrophobicContact CE-CG 3.78Å; L370-Q373 PolarHBondContact O-N 2.94Å; L370-Q373 VanDerWaalsContact O-N 3.16Å; T371-Q373 PolarHBondContact O-N 3.46Å; Q373-T375 PolarHBondContact O-N 2.84Å
374	L	56.2	Low	53.9	Low	66 Å²	66	118.6 Å²	118.6	35%	0.346	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.4	-4.9	-178	-65.3	173.2	0	0	0	114.3	I336 M339 H343 L370 T371	I336-L374 HydrophobicContact CG2-CD2 3.84Å; M339-L374 HydrophobicContact CB-CD2 4.05Å; H343-L374 HydrophobicContact CB-CD1 4.19Å; L370-L374 WeakPolarHBondContact O-CG 3.46Å; L370-L374 PolarHBondContact O-N 3.47Å; T371-L374 PolarHBondContact O-N 2.98Å
375	T	46	Very low	51.3	Low	102 Å²	102	117.9 Å²	117.9	63%	0.626	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	4.3	-172	30.1	0	0	0	0	115.1	T371 Q373	T371-T375 PolarHBondContact O-OG1 3.3Å; Q373-T375 PolarHBondContact O-N 2.84Å
376	F	37.8	Very low	48.8	Very low	172 Å²	172	121.1 Å²	121.1	75%	0.754	64%	0.635	S	S	*	*			trans	-90.9	109.2	175.1	-75.8	-80.3	0	0	0	112.6	T372	T372-F376 WeakPolarHBondContact O-CE2 3.4Å
377	Q	34.4	Very low	46.3	Very low	177 Å²	177	125.4 Å²	125.4	83%	0.827	66%	0.655	S	S	*	*			trans	-68.3	146	161	-73.7	-174.2	-20.6	0	0	110.7	L379	Q377-L379 PolarHBondContact O-N 3.39Å
378	P	31.6	Very low	43.7	Very low	131 Å²	131	132.4 Å²	132.4	85%	0.851	69%	0.69	S	S	*	*			trans	-70.2	98.3	174	-15.3	30.2	0	0	0	111.3	H380	P378-H380 PolarHBondContact O-N 2.94Å
379	L	27.7	Very low	41.2	Very low	171 Å²	171	136.4 Å²	136.4	90%	0.895	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-61.4	134.5	169.9	-87.5	164.2	0	0	0	110.6	Q377 R381	Q377-L379 PolarHBondContact O-N 3.39Å; L379-R381 PolarHBondContact O-N 3.48Å
380	H	32	Very low	39.3	Very low	185 Å²	185	135.9 Å²	135.9	86%	0.856	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-52.1	130.2	-178.6	-86.7	-101.3	0	0	0	112.5	P378 P382	P378-H380 PolarHBondContact O-N 2.94Å; H380-P382 WeakPolarHBondContact O-CD 3.32Å
381	R	27.3	Very low	36.9	Very low	243 Å²	243	139.7 Å²	139.7	92%	0.917	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-77.8	118.9	165	-145.8	178.2	-161.8	175.6	6.2	108.3	L379	L379-R381 PolarHBondContact O-N 3.48Å
382	P	28.2	Very low	34.9	Very low	118 Å²	118	144.2 Å²	144.2	77%	0.766	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-71.2	142.7	-173.7	27.6	-34.5	0	0	0	112.1	H380	H380-P382 WeakPolarHBondContact O-CD 3.32Å
383	R	28.4	Very low	33.5	Very low	234 Å²	234	143.7 Å²	143.7	88%	0.883	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-84.7	129.5	174.8	-160.4	177	-164.9	162.5	3.3	108.9
384	P	29.1	Very low	32.2	Very low	125 Å²	125	148.1 Å²	148.1	81%	0.812	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-72.5	139.2	-178.1	28.9	-34.3	0	0	0	111.9
385	V	32.2	Very low	31	Very low	128 Å²	128	151.1 Å²	151.1	78%	0.776	80%	0.798	S	S	*	*			trans	-129.5	138.7	174.6	179	0	0	0	0	107.5
386	P	33.8	Very low	30	Very low	121 Å²	121	152.4 Å²	152.4	79%	0.786	81%	0.809	S	S	*	*			trans	-78.1	135.3	-168.8	28.8	-34.8	0	0	0	114.8
387	L	31.3	Very low	29.4	Very low	161 Å²	161	150.2 Å²	150.2	84%	0.843	82%	0.815	S	S	*	*			trans	4.2	125.9	157.2	-55	173.6	0	0	0	119.6
388	L	29.2	Very low	29	Very low	162 Å²	162	148.4 Å²	148.4	85%	0.848	81%	0.812	S	S	*	*				-171.8	111.7	119.7	-105.5	160.6	0	0	0	114.9
389	N	26.6	Very low	29	Very low	156 Å²	156	147.5 Å²	147.5	83%	0.834	81%	0.808	S	S	*	*			trans	44.9	155.9	156	-85	19.3	0	0	0	125
390	P	34.6	Very low	29.1	Very low	111 Å²	111	147.7 Å²	147.7	72%	0.721	81%	0.805	S	S	*	*			trans	-119.5	161.1	-168.6	42.5	-29.8	0	0	0	116.5
391	C	25.4	Very low	28.9	Very low	111 Å²	111	148.1 Å²	148.1	75%	0.75	81%	0.807	S	S	*	*			trans	-173	163.5	151.6	-91	0	0	0	0	105.4
392	D	27.7	Very low	28.8	Very low	148 Å²	148	139.9 Å²	139.9	79%	0.791	80%	0.798	S	S	*	*			cis	-176	161.3	-30.5	-96.4	-19.5	0	0	0	105
393	A	28.1	Very low	29.7	Very low	68 Å²	68	140.2 Å²	140.2	56%	0.562	80%	0.8	S	S	*	*			cis	-174.9	157.4	-13.1	0	0	0	0	0	105.9
394	Y	28.5	Very low	29.7	Very low	220 Å²	220	136.1 Å²	136.1	86%	0.863	79%	0.791	S	S	*	*			trans	64.6	157.9	178.6	-60.2	-81.1	0	0	0	116.1
395	T	30.3	Very low	29.8	Very low	130 Å²	130	138.3 Å²	138.3	80%	0.798	79%	0.787	S	S	*	*			cis	-143.7	155.7	6.3	-25.9	0	0	0	0	110.9
396	C	25.1	Very low	29.6	Very low	128 Å²	128	136 Å²	136	87%	0.865	79%	0.789	S	S	*	*			trans	-92.4	158.4	171.4	-48.2	0	0	0	0	112.4
397	S	26.5	Very low	29.4	Very low	126 Å²	126	137.4 Å²	137.4	88%	0.881	79%	0.785	S	S	*	*			trans	-157.8	154.8	137.6	-161.6	0	0	0	0	111.1
398	D	25.8	Very low	29.3	Very low	140 Å²	140	137.7 Å²	137.7	75%	0.749	78%	0.78	S	S	*	*			trans	-130.8	164.4	-175.6	-167.6	-0.1	0	0	0	109.4
399	S	30.4	Very low	29.2	Very low	111 Å²	111	135.9 Å²	135.9	78%	0.776	78%	0.776	S	S	*	*			trans	162	105.1	155.2	-74	0	0	0	0	115.3
400	E	30.9	Very low	29.2	Very low	176 Å²	176	134 Å²	134	82%	0.822	78%	0.775	S	S	*	*			trans	16.4	122.3	136.5	-61.8	179.5	147.2	0	0	123.6
401	E	27.8	Very low	29	Very low	194 Å²	194	135.8 Å²	135.8	91%	0.907	78%	0.777	S	S	*	*				61.7	130.4	110.5	-156.5	167.5	-112.1	0	0	123.7
402	G	25.6	Very low	29.1	Very low	70 Å²	70	139.2 Å²	139.2	72%	0.722	78%	0.781	S	S	*	*			trans	141.1	152.1	149.6	0	0	0	0	0	118.4
403	P	45.9	Very low	29.1	Very low	125 Å²	125	141 Å²	141	81%	0.812	78%	0.782	S	S	*	*			trans	-133.9	-179.3	-146.1	40.2	-21.7	0	0	0	119
404	E	29.8	Very low	29.2	Very low	148 Å²	148	148 Å²	148	69%	0.692	79%	0.794	S	S	*	*			trans	111.9	123.2	152.8	-65.9	-123.6	110.3	0	0	122.7
405	K	30.4	Very low	29.2	Very low	170 Å²	170	144.4 Å²	144.4	74%	0.739	79%	0.789	S	S	*	*			trans	70.2	117.5	138	-71.4	-176.1	171.8	78.9	0	124.8
406	G	27.9	Very low	29.1	Very low	79 Å²	79	146.7 Å²	146.7	81%	0.814	78%	0.783	S	S	*	*			trans	94.2	150.7	138	0	0	0	0	0	118.3
407	E	30.1	Very low	29.5	Very low	151 Å²	151	150.8 Å²	150.8	71%	0.706	78%	0.78	S	S	*	*			cis	-168.6	157.2	-10.5	-151.9	-168.9	-158.5	0	0	110.1
408	K	28.8	Very low	29.5	Very low	168 Å²	168	149.6 Å²	149.6	73%	0.73	77%	0.772	S	S	*	*			trans	69.2	154.6	166.4	-66.4	155.7	176.1	144.2	0	117
409	T	26.7	Very low	29.5	Very low	123 Å²	123	151.1 Å²	151.1	76%	0.755	78%	0.779	S	S	*	*			cis	-160.4	156.3	-0.5	4	0	0	0	0	114.8
410	S	26.1	Very low	29.3	Very low	118 Å²	118	154.5 Å²	154.5	83%	0.825	78%	0.782	S	S	*	*			trans	78.4	162.2	142.7	73.1	0	0	0	0	122.5
411	I	31.9	Very low	29.5	Very low	147 Å²	147	151.3 Å²	151.3	75%	0.754	78%	0.777	S	S	*	*			trans	-139.6	137.7	-162.9	-60.5	160.6	0	0	0	111
412	H	27	Very low	29.6	Very low	183 Å²	183	145.3 Å²	145.3	85%	0.847	77%	0.767	S	S	*	*			trans	-145.9	121	150.3	-88.4	-94.9	0	0	0	108.2
413	K	27.7	Very low	29.8	Very low	185 Å²	185	150.3 Å²	150.3	80%	0.804	78%	0.776	S	S	*	*				82.8	65.2	67	-79.7	-163.5	172.2	-173.4	0	117
414	R	29.8	Very low	28.9	Very low	217 Å²	217	152.7 Å²	152.7	82%	0.819	78%	0.781	S	S	*	*				16.3	127.4	127.9	-177.2	-162.6	-68.6	-171.7	-1.8	119.3
415	L	28.4	Very low	28.9	Very low	143 Å²	143	157.2 Å²	157.2	75%	0.749	79%	0.792	S	S	*	*				-169.4	139.1	127.6	-114	81.1	0	0	0	107.5
416	R	29.3	Very low	28.7	Very low	179 Å²	179	159.3 Å²	159.3	68%	0.675	80%	0.795	S	S	*	*				59.6	141	74.7	-65.4	-175.8	172.6	172.6	-3.3	113.7
417	R	32.7	Very low	28.5	Very low	213 Å²	213	163.7 Å²	163.7	80%	0.804	80%	0.798	S	S	*	*			cis	-151.7	-177.4	6.4	-107.5	153.3	178.1	164.8	-9	106.8
418	S	26.9	Very low	28.2	Very low	102 Å²	102	160.8 Å²	160.8	71%	0.713	79%	0.794	S	S	*	*			cis	-142.7	167.3	15.9	55.9	0	0	0	0	110
419	L	26	Very low	28.2	Very low	171 Å²	171	158.3 Å²	158.3	90%	0.895	80%	0.799	S	S	*	*				-139.4	-174.4	78.3	-89	164.2	0	0	0	112.9
420	H	26.1	Very low	28.2	Very low	183 Å²	183	157.9 Å²	157.9	85%	0.847	80%	0.796	S	S	*	*			trans	-118	-175.4	-162.9	-132.5	-142.6	0	0	0	112.8
421	P	35.4	Very low	28.3	Very low	109 Å²	109	164.4 Å²	164.4	71%	0.708	80%	0.803	S	S	*	*				-132.1	131.1	-126.5	33.7	-10.5	0	0	0	116.4
422	G	29.1	Very low	28.3	Very low	68 Å²	68	160.9 Å²	160.9	70%	0.701	79%	0.788	S	S	*	*			trans	-146.3	147.6	174.4	0	0	0	0	0	114.3	L424	G422-L424 PolarHBondContact O-N 2.85Å
423	L	29.6	Very low	28.7	Very low	175 Å²	175	157.1 Å²	157.1	92%	0.916	78%	0.778	S	S	*	*	S	Bend	trans	58	45.3	158	-55.4	-180	0	0	0	119.4
424	L	26.9	Very low	29.6	Very low	174 Å²	174	149.3 Å²	149.3	91%	0.911	75%	0.746	S	S	*	*			trans	-132.6	61.1	155	-77.9	-178.3	0	0	0	112.7	G422 R426	G422-L424 PolarHBondContact O-N 2.85Å; L424-R426 PolarHBondContact O-N 2.83Å; L424-R426 VanDerWaalsContact O-N 3.1Å
425	R	29.4	Very low	30.5	Very low	244 Å²	244	140.5 Å²	140.5	92%	0.921	72%	0.716	S	S	*	*			trans	-81.6	86	166.9	-172.1	175.4	-75.1	178.6	-1.3	110.3	I427	R425-I427 PolarHBondContact O-N 3.26Å
426	R	26.7	Very low	31.4	Very low	214 Å²	214	134.8 Å²	134.8	81%	0.808	69%	0.688	S	S	*	*			trans	-18	115.1	159.5	-178.8	-173.2	-60	167.3	1.3	113.5	L424 S428	L424-R426 PolarHBondContact O-N 2.83Å; L424-R426 VanDerWaalsContact O-N 3.1Å; R426-S428 PolarHBondContact O-N 3.27Å
427	I	23.4	Very low	32	Very low	170 Å²	170	127 Å²	127	87%	0.872	66%	0.662	S	S	*	*			trans	-73.8	116.6	166.1	-58.2	176	0	0	0	107.3	R425	R425-I427 PolarHBondContact O-N 3.26Å
428	S	24.9	Very low	32.6	Very low	90 Å²	90	117 Å²	117	63%	0.629	62%	0.624	S	S	*	*			trans	-83.9	137.5	174.6	-64.9	0	0	0	0	110.2	R426 T430	R426-S428 PolarHBondContact O-N 3.27Å; S428-T430 PolarHBondContact O-N 2.68Å
429	S	28.7	Very low	33.6	Very low	117 Å²	117	112.2 Å²	112.2	82%	0.818	59%	0.591	S	S	*	*			trans	-74.2	90.3	-177.1	56.5	0	0	0	0	112.6
430	T	26.4	Very low	34.6	Very low	114 Å²	114	104.8 Å²	104.8	70%	0.699	55%	0.553	S	S	*	*			trans	-94.8	120.5	160.6	-55.1	0	0	0	0	108.2	S428 T432	S428-T430 PolarHBondContact O-N 2.68Å; T430-T432 PolarHBondContact O-N 2.9Å
431	W	28.2	Very low	35	Very low	255 Å²	255	99.4 Å²	99.4	97%	0.966	53%	0.534	S	S	*	.			trans	-61.9	122.6	175.4	-74.9	77.5	0	0	0	109.5
432	T	31.5	Very low	35.1	Very low	72 Å²	72	97.6 Å²	97.6	44%	0.442	52%	0.521	S	S	.	.			trans	-122.4	133	173.9	46.6	0	0	0	0	108.4	T430 T434 P441	T430-T432 PolarHBondContact O-N 2.9Å; T432-T434 PolarHBondContact O-N 3.01Å; T432-P441 VanDerWaalsContact CB-CB 3.46Å; T432-P441 HydrophobicContact CG2-CB 3.95Å
433	T	35.6	Very low	35.2	Very low	104 Å²	104	101.3 Å²	101.3	64%	0.638	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	113.1	175.9	-60.5	0	0	0	0	108.4	T435	T433-T435 PolarHBondContact O-N 3.42Å
434	T	46.3	Very low	35.2	Very low	22 Å²	22	101.5 Å²	101.5	14%	0.135	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	122.9	168.2	-62.9	0	0	0	0	109.5	T432 G439	T432-T434 PolarHBondContact O-N 3.01Å; T434-G439 WeakPolarHBondContact CG2-O 3.48Å
435	T	49.3	Very low	35.4	Very low	31 Å²	31	99.4 Å²	99.4	19%	0.19	52%	0.516	C	S	.	.			trans	-72.9	132.4	171.9	61.7	0	0	0	0	109.7	T433 A437 T438 G439 L440	T433-T435 PolarHBondContact O-N 3.42Å; T435-A437 PolarHBondContact O-N 3.2Å; T435-T438 PolarHBondContact O-N 3.01Å; T435-T438 PolarHBondContact OG1-OG1 2.92Å; T435-G439 PolarHBondContact O-N 3.36Å; T435-G439 VanDerWaalsContact O-N 3.1Å; T435-L440 PolarHBondContact N-O 2.8Å; T435-L440 VanDerWaalsContact N-O 3.08Å
436	S	46.3	Very low	35.4	Very low	23 Å²	23	90.6 Å²	90.6	16%	0.161	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-9.2	-177	63.3	0	0	0	0	114.5	N718	S436-N718 WeakPolarHBondContact OG-CB 3.34Å; S436-N718 PolarHBondContact OG-N 3.09Å
437	A	42.5	Very low	35.6	Very low	15 Å²	15	86.2 Å²	86.2	12%	0.124	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-54.9	-178.1	0	0	0	0	0	112.1	T435 T717 F847 M865	T435-A437 PolarHBondContact O-N 3.2Å; A437-T717 HydrophobicContact CB-CG2 3.33Å; A437-F847 HydrophobicContact CB-CE1 4.26Å; A437-F847 HydrophobicContact CB-CZ 4.29Å; A437-F847 VanDerWaalsContact O-CZ 3.31Å; A437-F847 WeakPolarHBondContact O-CZ 3.49Å; A437-M865 HydrophobicContact CB-CE 3.42Å; A437-M865 VanDerWaalsContact CB-CE 3.42Å
438	T	45.6	Very low	35.8	Very low	3 Å²	3	85 Å²	85	2%	0.018	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-12.5	-169.2	64.7	0	0	0	0	113	T435 L440 F847 F864 M865 L875	T435-T438 PolarHBondContact O-N 3.01Å; T435-T438 PolarHBondContact OG1-OG1 2.92Å; T438-L440 PolarHBondContact O-N 3.27Å; T438-L440 WeakPolarHBondContact OG1-CB 3.45Å; T438-L440 PolarHBondContact OG1-N 2.7Å; T438-F847 HydrophobicContact CG2-CE2 3.96Å; T438-F847 HydrophobicContact CG2-CZ 4.47Å; T438-F864 HydrophobicContact CG2-CD2 4.17Å; T438-M865 HydrophobicContact CG2-CE 4.38Å; T438-L875 HydrophobicContact CG2-CD1 4.14Å
439	G	49	Very low	35.9	Very low	2 Å²	2	91.8 Å²	91.8	2%	0.021	51%	0.513	C	S	.	.			trans	73.9	6.2	-170.9	0	0	0	0	0	114.1	T434 T435	T434-G439 WeakPolarHBondContact CG2-O 3.48Å; T435-G439 PolarHBondContact O-N 3.36Å; T435-G439 VanDerWaalsContact O-N 3.1Å
440	L	45.6	Very low	36	Very low	15 Å²	15	97.9 Å²	97.9	8%	0.079	52%	0.518	C	S	.	.			trans	-104.7	144.4	-168.6	-61.9	172.6	0	0	0	114.5	T435 T438 F864 S878	T435-L440 PolarHBondContact N-O 2.8Å; T435-L440 VanDerWaalsContact N-O 3.08Å; T438-L440 PolarHBondContact O-N 3.27Å; T438-L440 WeakPolarHBondContact OG1-CB 3.45Å; T438-L440 PolarHBondContact OG1-N 2.7Å; L440-F864 HydrophobicContact CD1-CD2 3.94Å; L440-F864 HydrophobicContact CD1-CE2 3.23Å; L440-F864 HydrophobicContact CD1-CZ 3.68Å; L440-S878 WeakPolarHBondContact CD2-OG 3.31Å
441	P	34.8	Very low	36	Very low	71 Å²	71	99.4 Å²	99.4	46%	0.461	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	131.7	176.5	30.4	-34.1	0	0	0	111.6	T432	T432-P441 VanDerWaalsContact CB-CB 3.46Å; T432-P441 HydrophobicContact CG2-CB 3.95Å
442	T	36.8	Very low	36	Very low	70 Å²	70	99.2 Å²	99.2	43%	0.429	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	143.8	175	-54.4	0	0	0	0	111.4
443	I	32.7	Very low	35.7	Very low	147 Å²	147	100.9 Å²	100.9	75%	0.754	54%	0.536	S	S	*	.			trans	-97.3	127.4	176.6	-60	173.8	0	0	0	109.1
444	E	28.5	Very low	35.2	Very low	179 Å²	179	101.7 Å²	101.7	84%	0.836	55%	0.545	S	S	*	.			trans	-69.5	137.3	172.2	-77.2	-158.9	139.5	0	0	112.2	G446	E444-G446 PolarHBondContact O-N 3.28Å; E444-G446 VanDerWaalsContact O-N 3.13Å
445	P	31.6	Very low	34.3	Very low	129 Å²	129	105.7 Å²	105.7	84%	0.838	57%	0.574	S	S	*	*			trans	-65.5	109	169.5	-21	33.7	0	0	0	111.9
446	G	29.7	Very low	33.3	Very low	59 Å²	59	111.5 Å²	111.5	61%	0.608	60%	0.602	S	S	*	*			trans	-60.9	145.1	-178.6	0	0	0	0	0	113.9	E444 V448	E444-G446 PolarHBondContact O-N 3.28Å; E444-G446 VanDerWaalsContact O-N 3.13Å; G446-V448 PolarHBondContact O-N 3.23Å
447	P	29.8	Very low	32.3	Very low	123 Å²	123	118.9 Å²	118.9	80%	0.799	63%	0.631	S	S	*	*			trans	-70.5	122.3	-172.7	27.1	-34.7	0	0	0	112.8	R449	P447-R449 PolarHBondContact O-N 3Å; P447-R449 VanDerWaalsContact O-N 3.09Å
448	V	27.8	Very low	31.5	Very low	145 Å²	145	124.1 Å²	124.1	88%	0.879	66%	0.664	S	S	*	*			trans	-60.4	110.5	175.9	179.8	0	0	0	0	110.4	G446	G446-V448 PolarHBondContact O-N 3.23Å
449	R	28.1	Very low	30.3	Very low	232 Å²	232	133.1 Å²	133.1	88%	0.875	70%	0.699	S	S	*	*			trans	-70.2	145.3	172.7	-65.5	-173.2	-178.8	120.3	1.1	110.2	P447	P447-R449 PolarHBondContact O-N 3Å; P447-R449 VanDerWaalsContact O-N 3.09Å
450	R	29.3	Very low	29.2	Very low	244 Å²	244	140.7 Å²	140.7	92%	0.921	73%	0.734	S	S	*	*			trans	-128.8	114.1	177.6	-158.1	179.6	-160.9	127.4	2.3	108.2
451	D	28.2	Very low	28	Very low	146 Å²	146	148.6 Å²	148.6	78%	0.781	77%	0.77	S	S	*	*			trans	-68.7	145.7	-170.8	-58.4	-65.9	0	0	0	113.6
452	R	27.3	Very low	27.4	Very low	252 Å²	252	150.6 Å²	150.6	95%	0.951	78%	0.781	S	S	*	*			trans	-168.8	130.5	146.2	-106.3	156.7	-168	-158.6	0.2	111
453	S	25.6	Very low	26.9	Very low	107 Å²	107	154.8 Å²	154.8	75%	0.748	80%	0.8	S	S	*	*			trans	-102.2	142.3	-174.2	-50.5	0	0	0	0	112.1
454	S	25.4	Very low	26.4	Very low	121 Å²	121	153.7 Å²	153.7	85%	0.846	80%	0.8	S	S	*	*			trans	57	159.6	149.9	78.9	0	0	0	0	118.4
455	S	25.5	Very low	26.1	Very low	105 Å²	105	150.9 Å²	150.9	73%	0.734	80%	0.8	S	S	*	*			cis	-156.4	-173.3	6	-162.8	0	0	0	0	111.6
456	I	28.6	Very low	25.8	Very low	153 Å²	153	149.5 Å²	149.5	79%	0.785	79%	0.793	S	S	*	*			trans	81.4	120.4	162.5	-55.4	170.5	0	0	0	118.4
457	K	25.1	Very low	25.7	Very low	178 Å²	178	152.5 Å²	152.5	77%	0.774	80%	0.803	S	S	*	*			trans	-117.3	155.1	154	-78.1	-175.8	176.2	179.9	0	109.1
458	P	26.7	Very low	25.4	Very low	125 Å²	125	150.1 Å²	150.1	81%	0.812	80%	0.801	S	S	*	*			trans	-110.6	179.7	137.4	-10.2	29.8	0	0	0	113.3
459	Y	21.3	Very low	25.6	Very low	192 Å²	192	155.1 Å²	155.1	75%	0.753	80%	0.804	S	S	*	*			trans	-129.9	157.5	-172.5	-111.3	-71.2	0	0	0	111.8
460	H	24.1	Very low	26.7	Very low	161 Å²	161	149 Å²	149	75%	0.745	80%	0.795	S	S	*	*			trans	56.6	137	164.3	-79.2	-80.6	0	0	0	117.5
461	E	21.6	Very low	26.4	Very low	182 Å²	182	147.1 Å²	147.1	85%	0.85	79%	0.789	S	S	*	*				-156.5	-165	64.6	-139.6	172.1	-157.3	0	0	113.3
462	T	22.3	Very low	26.6	Very low	112 Å²	112	146.3 Å²	146.3	69%	0.687	78%	0.783	S	S	*	*			trans	-148.3	139.2	-168.6	26.4	0	0	0	0	113
463	L	25.1	Very low	26.7	Very low	159 Å²	159	144.5 Å²	144.5	83%	0.832	78%	0.777	S	S	*	*			trans	157.5	138.9	133.9	-82.8	161.9	0	0	0	115.8
464	T	22	Very low	27	Very low	123 Å²	123	146 Å²	146	76%	0.755	78%	0.775	S	S	*	*			trans	54.8	111	144.8	56.4	0	0	0	0	125.7
465	C	23.3	Very low	27.2	Very low	121 Å²	121	145.3 Å²	145.3	82%	0.818	77%	0.766	S	S	*	*				69.6	124.9	111.8	-155.6	0	0	0	0	124.2
466	S	25.8	Very low	27.5	Very low	100 Å²	100	147.8 Å²	147.8	70%	0.699	77%	0.766	S	S	*	*				147.9	160.8	114	-154.9	0	0	0	0	118
467	C	27	Very low	27.5	Very low	121 Å²	121	143.3 Å²	143.3	82%	0.818	76%	0.757	S	S	*	*			trans	3.6	147.9	166.1	59.5	0	0	0	0	123
468	G	24.2	Very low	27.8	Very low	74 Å²	74	142.9 Å²	142.9	76%	0.763	76%	0.758	S	S	*	*			cis	132.7	110	8	0	0	0	0	0	115.1
469	R	30.6	Very low	27.8	Very low	249 Å²	249	140.7 Å²	140.7	94%	0.94	76%	0.758	S	S	*	*			trans	64.5	177.4	156.3	-94.4	-175.5	-175.3	-147.4	1.5	119.6
470	P	51	Low	28.2	Very low	105 Å²	105	136.5 Å²	136.5	68%	0.682	76%	0.757	S	S	*	*			cis	-135.9	-175.9	-20.8	38.7	-20.9	0	0	0	115.8
471	Y	23.2	Very low	28.6	Very low	204 Å²	204	136.3 Å²	136.3	80%	0.8	76%	0.76	S	S	*	*			trans	-167.6	122.6	141.5	-123.4	-118.8	0	0	0	108.3
472	I	33.2	Very low	29.1	Very low	128 Å²	128	132.9 Å²	132.9	66%	0.656	75%	0.747	S	S	*	*				70.9	136.4	83.1	-79.4	172.6	0	0	0	113.1
473	R	29	Very low	29.7	Very low	215 Å²	215	135.8 Å²	135.8	81%	0.811	75%	0.75	S	S	*	*			cis	176.7	149.4	-5	169.5	-170	177	-146.9	-2	107.2
474	L	32.5	Very low	29.9	Very low	138 Å²	138	131.3 Å²	131.3	72%	0.723	74%	0.743	S	S	*	*			cis	-131.5	-136.6	-7.8	-122.5	165.8	0	0	0	106.6
475	T	29.5	Very low	30.2	Very low	106 Å²	106	132.1 Å²	132.1	65%	0.65	74%	0.743	S	S	*	*			cis	-162.6	163.9	-6.4	-10.6	0	0	0	0	105
476	H	31.1	Very low	30.4	Very low	157 Å²	157	137.2 Å²	137.2	73%	0.727	75%	0.745	S	S	*	*			cis	-127.4	-144.2	1	-124.3	-67.9	0	0	0	106.8	E478	H476-E478 IonicContact CE1-OE2 3.85Å; H476-E478 PolarHBondContact CE1-OE2 2.87Å; H476-E478 IonicContact CG-OE2 2.92Å; H476-E478 IonicContact ND1-OE2 3.94Å; H476-E478 PolarHBondContact ND1-OE2 3.12Å
477	G	29.6	Very low	30.4	Very low	59 Å²	59	138.1 Å²	138.1	61%	0.608	75%	0.746	S	S	*	*			cis	117.2	140.5	-5.4	0	0	0	0	0	115
478	E	29.9	Very low	31.1	Very low	170 Å²	170	137 Å²	137	79%	0.794	74%	0.737	S	S	*	*			cis	-168	129.6	-10.5	-120.9	135.5	95.6	0	0	112.9	H476	H476-E478 IonicContact CE1-OE2 3.85Å; H476-E478 PolarHBondContact CE1-OE2 2.87Å; H476-E478 IonicContact CG-OE2 2.92Å; H476-E478 IonicContact ND1-OE2 3.94Å; H476-E478 PolarHBondContact ND1-OE2 3.12Å
479	G	27.8	Very low	31.2	Very low	79 Å²	79	144.2 Å²	144.2	81%	0.814	74%	0.741	S	S	*	*			trans	96.3	153.3	161.7	0	0	0	0	0	119.5
480	S	30.3	Very low	31.1	Very low	104 Å²	104	137.1 Å²	137.1	73%	0.727	73%	0.726	S	S	*	*			cis	-171.6	154.7	-17.6	-157.6	0	0	0	0	113
481	I	32.2	Very low	29.9	Very low	157 Å²	157	140.4 Å²	140.4	81%	0.805	73%	0.732	S	S	*	*			trans	67.9	141.8	153.2	-80.8	163.2	0	0	0	118.3
482	D	32.3	Very low	30.2	Very low	109 Å²	109	138.3 Å²	138.3	58%	0.583	74%	0.735	S	S	*	*			cis	-168.9	156.6	-13.6	-178.3	38.5	0	0	0	111.3
483	K	33.4	Very low	30.4	Very low	173 Å²	173	137.6 Å²	137.6	75%	0.752	74%	0.739	S	S	*	*			trans	38.1	146.4	163.8	-78.4	165.8	-155.4	76.5	0	122.6
484	G	30.2	Very low	30.3	Very low	65 Å²	65	133.6 Å²	133.6	67%	0.67	74%	0.738	S	S	*	*			cis	156.7	173.8	-3.6	0	0	0	0	0	114
485	D	27.9	Very low	29.9	Very low	141 Å²	141	133 Å²	133	75%	0.754	74%	0.74	S	S	*	*			trans	61.3	137.8	170.6	-77.4	17.3	0	0	0	118
486	R	28.2	Very low	29.7	Very low	228 Å²	228	134.1 Å²	134.1	86%	0.86	75%	0.746	S	S	*	*			cis	-140.1	160.3	23	-124.6	162.7	-155.7	169.7	3	114.8
487	T	26.1	Very low	29.4	Very low	119 Å²	119	131.5 Å²	131.5	73%	0.73	75%	0.745	S	S	*	*			trans	-117.6	-173.5	-175.5	38.8	0	0	0	0	109.9
488	P	41.7	Very low	29.2	Very low	97 Å²	97	133.3 Å²	133.3	63%	0.63	75%	0.748	S	S	*	*			cis	-140.8	-177.3	-35	32.9	-12.9	0	0	0	115.3
489	R	26.3	Very low	29	Very low	225 Å²	225	132.3 Å²	132.3	85%	0.849	75%	0.749	S	S	*	*			trans	67.9	150.8	136	-88.9	171.6	-173.5	171.7	1.5	121
490	T	27.9	Very low	29	Very low	101 Å²	101	138.8 Å²	138.8	62%	0.62	75%	0.75	S	S	*	*			cis	-153.1	171.1	-12.3	-17.9	0	0	0	0	110.7
491	E	25.5	Very low	28.7	Very low	174 Å²	174	139.7 Å²	139.7	81%	0.813	75%	0.747	S	S	*	*			trans	78.5	135	150.7	-76.8	148.7	-113.4	0	0	120.6
492	D	29.3	Very low	28.4	Very low	159 Å²	159	136.1 Å²	136.1	85%	0.85	74%	0.736	S	S	*	*			trans	-78.1	153.7	166.9	-58.6	-63.8	0	0	0	110.3
493	P	37.6	Very low	28.1	Very low	114 Å²	114	136.9 Å²	136.9	74%	0.74	74%	0.744	S	S	*	*				-155	156.2	82.6	39.2	-19.3	0	0	0	118.8
494	V	25.7	Very low	27.8	Very low	131 Å²	131	136.3 Å²	136.3	79%	0.794	74%	0.744	S	S	*	*				30.7	154.6	128.8	-161.6	0	0	0	0	121.8
495	V	25.8	Very low	27.7	Very low	125 Å²	125	141 Å²	141	76%	0.758	75%	0.749	S	S	*	*			trans	95.7	112.2	169	-174.9	0	0	0	0	112.7
496	V	24.1	Very low	27.7	Very low	129 Å²	129	138.1 Å²	138.1	78%	0.782	74%	0.744	S	S	*	*			cis	103.6	139.9	41.4	161	0	0	0	0	112.1
497	S	24.7	Very low	27.6	Very low	102 Å²	102	134.9 Å²	134.9	71%	0.713	74%	0.744	S	S	*	*			trans	76.1	146.5	176.5	-147	0	0	0	0	115.2
498	S	26.7	Very low	27.8	Very low	97 Å²	97	137.6 Å²	137.6	68%	0.678	75%	0.748	S	S	*	*			cis	-155.9	150.7	8.7	-12.1	0	0	0	0	112.4
499	D	25.8	Very low	27.2	Very low	150 Å²	150	138 Å²	138	80%	0.802	75%	0.753	S	S	*	*				35.2	122.8	128.7	-52.9	-21.5	0	0	0	123.3
500	Y	26.8	Very low	27.3	Very low	215 Å²	215	133.3 Å²	133.3	84%	0.843	75%	0.745	S	S	*	*				59.8	117.7	128.5	-120.2	-110.8	0	0	0	122.3
501	D	24.4	Very low	27.2	Very low	122 Å²	122	132.9 Å²	132.9	65%	0.652	75%	0.746	S	S	*	*				126.6	135.3	115.4	-141.3	-8	0	0	0	118.5
502	S	26.4	Very low	27.5	Very low	83 Å²	83	129.7 Å²	129.7	58%	0.58	74%	0.743	S	S	*	*			trans	56	148.5	144	-82.2	0	0	0	0	124.7
503	T	25.9	Very low	27.5	Very low	124 Å²	124	129 Å²	129	76%	0.761	74%	0.739	S	S	*	*			trans	67.3	145.7	147.5	49.3	0	0	0	0	119.2
504	H	27.4	Very low	27.1	Very low	161 Å²	161	129.9 Å²	129.9	75%	0.745	74%	0.742	S	S	*	*			cis	-164.6	177.5	-25.7	-141.2	-115.7	0	0	0	107
505	E	28.4	Very low	27.2	Very low	164 Å²	164	127.7 Å²	127.7	77%	0.766	74%	0.738	S	S	*	*			trans	64.3	118.3	165.5	-68.9	166	-157.9	0	0	116.4
506	A	26	Very low	27.2	Very low	80 Å²	80	131.1 Å²	131.1	66%	0.661	75%	0.746	S	S	*	*				76.3	123.6	60.6	0	0	0	0	0	114.4
507	N	27.3	Very low	27.3	Very low	160 Å²	160	130.5 Å²	130.5	86%	0.856	74%	0.743	S	S	*	*				-165.1	164.8	119.8	-103.8	-62.6	0	0	0	112.4
508	H	29.6	Very low	27.5	Very low	176 Å²	176	134.4 Å²	134.4	82%	0.815	75%	0.75	S	S	*	*			trans	-104.8	-156.9	-173.7	-71.6	-90.6	0	0	0	112.3
509	S	28.8	Very low	27.6	Very low	106 Å²	106	139.3 Å²	139.3	74%	0.741	76%	0.762	S	S	*	*			trans	86.8	136.9	164.8	-72.6	0	0	0	0	117.1
510	D	28.4	Very low	27.6	Very low	127 Å²	127	139 Å²	139	68%	0.679	76%	0.76	S	S	*	*			cis	-161.2	171	-2.6	-134	-64.3	0	0	0	115
511	S	27.4	Very low	27.6	Very low	91 Å²	91	134.5 Å²	134.5	64%	0.636	76%	0.755	S	S	*	*			trans	47.3	117.1	142.6	-73.7	0	0	0	0	119.9
512	S	32	Very low	27.8	Very low	107 Å²	107	135.7 Å²	135.7	75%	0.748	76%	0.757	S	S	*	*				129.4	164.5	77	60.1	0	0	0	0	108.6
513	D	28.5	Very low	27.9	Very low	144 Å²	144	140 Å²	140	77%	0.77	77%	0.765	S	S	*	*			cis	-157.9	163.2	-4.6	-136.2	-24.2	0	0	0	111.9
514	V	28.9	Very low	28	Very low	133 Å²	133	137.5 Å²	137.5	81%	0.806	76%	0.764	S	S	*	*			trans	58.8	146.7	156.9	177.7	0	0	0	0	120.2
515	A	27.4	Very low	28	Very low	86 Å²	86	140.3 Å²	140.3	71%	0.711	77%	0.774	S	S	*	*			trans	-116.8	168.7	-176.9	0	0	0	0	0	113.8
516	Q	27.2	Very low	27.9	Very low	197 Å²	197	142.2 Å²	142.2	92%	0.921	78%	0.78	S	S	*	*			trans	-156.8	171.8	150.6	-117.7	167.4	19.4	0	0	113.1
517	T	25.4	Very low	28.1	Very low	116 Å²	116	144.4 Å²	144.4	71%	0.712	79%	0.788	S	S	*	*			trans	-108.8	157.1	-156.7	46.4	0	0	0	0	115.3
518	E	28.6	Very low	28	Very low	184 Å²	184	142 Å²	142	86%	0.86	78%	0.784	S	S	*	*			trans	34	123.8	141.5	-60.4	172.1	-175.1	0	0	120.4
519	E	29.1	Very low	28.2	Very low	199 Å²	199	142.7 Å²	142.7	93%	0.93	79%	0.787	S	S	*	*				-179.3	-170.6	101	-147.8	170.3	-159.5	0	0	110.6
520	D	26.8	Very low	28.1	Very low	145 Å²	145	145.4 Å²	145.4	78%	0.775	79%	0.793	S	S	*	*			trans	-102.7	-179.3	-142	-125	-39.9	0	0	0	118.6
521	T	26.6	Very low	28.2	Very low	120 Å²	120	146.3 Å²	146.3	74%	0.736	80%	0.803	S	S	*	*			trans	82.4	96.8	154.7	39.3	0	0	0	0	124.3
522	E	28.6	Very low	28.3	Very low	147 Å²	147	148 Å²	148	69%	0.687	80%	0.804	S	S	*	*				57.7	135.8	124.7	-76.5	-141	110.6	0	0	126.5
523	K	27.1	Very low	28.2	Very low	172 Å²	172	151 Å²	151	75%	0.748	81%	0.81	S	S	*	*			trans	75.3	84.2	141.9	-74.6	169.8	174.2	132.1	0	121
524	G	27.9	Very low	28.2	Very low	72 Å²	72	151.5 Å²	151.5	74%	0.742	81%	0.808	S	S	*	*				118.3	128.1	85.2	0	0	0	0	0	120.3
525	K	27.7	Very low	28.3	Very low	220 Å²	220	148.8 Å²	148.8	96%	0.957	80%	0.799	S	S	*	*			trans	-162.9	169.2	146.6	-108.7	152.7	-171.1	169.2	0	111.2
526	K	26.7	Very low	28.5	Very low	204 Å²	204	153.1 Å²	153.1	89%	0.887	81%	0.809	S	S	*	*			trans	-80	157.6	-166.8	-82.9	-173.2	175.5	-175.3	0	114.2
527	P	29.6	Very low	28.8	Very low	127 Å²	127	150.6 Å²	150.6	83%	0.825	80%	0.801	S	S	*	*			trans	-87	161.5	-169.2	35.6	-37.8	0	0	0	114.3
528	S	25.6	Very low	29.1	Very low	110 Å²	110	149.7 Å²	149.7	77%	0.769	80%	0.797	S	S	*	*			trans	-138.2	99.9	167.5	57.1	0	0	0	0	111.1
529	Q	33.9	Very low	29.5	Very low	190 Å²	190	144.8 Å²	144.8	89%	0.888	78%	0.781	S	S	*	*			trans	35	103.4	153.2	-65.7	168.9	-52.9	0	0	118.6
530	N	27.2	Very low	30	Very low	162 Å²	162	144.7 Å²	144.7	87%	0.866	78%	0.78	S	S	*	*			trans	-119.5	148.4	136.6	-93.9	-38.5	0	0	0	108.2	I532	N530-I532 PolarHBondContact O-N 3.01Å
531	V	30.7	Very low	31.4	Very low	146 Å²	146	144 Å²	144	89%	0.885	78%	0.776	S	S	*	*			trans	-78.6	107.3	-170.9	179.1	0	0	0	0	110.2
532	I	29	Very low	33.5	Very low	128 Å²	128	147.2 Å²	147.2	66%	0.656	78%	0.78	S	S	*	*			trans	-85.2	114.7	171.9	-61.5	175.9	0	0	0	108.4	N530 H534	N530-I532 PolarHBondContact O-N 3.01Å; I532-H534 PolarHBondContact O-N 2.94Å
533	L	30.6	Very low	35.8	Very low	168 Å²	168	142.5 Å²	142.5	88%	0.88	76%	0.763	S	S	*	*			trans	-75.8	98.4	161.8	-154.3	80.4	0	0	0	107	A535	L533-A535 PolarHBondContact O-N 2.9Å
534	H	27.8	Very low	38.5	Very low	156 Å²	156	138.2 Å²	138.2	72%	0.722	75%	0.747	S	S	*	*			trans	-65.7	119.2	-176.2	-107.9	-88.2	0	0	0	110.7	I532 L536	I532-H534 PolarHBondContact O-N 2.94Å; H534-L536 PolarHBondContact O-N 3.26Å
535	A	31.3	Very low	41.4	Very low	75 Å²	75	138 Å²	138	62%	0.62	73%	0.729	S	S	*	*			trans	-67.7	129.1	168.1	0	0	0	0	0	109.6	L533 I537	L533-A535 PolarHBondContact O-N 2.9Å; A535-I537 VanDerWaalsContact C-N 3.34Å; A535-I537 HydrophobicContact CB-CD1 4.44Å; A535-I537 HydrophobicContact CB-CG1 4.18Å; A535-I537 PolarHBondContact O-N 3.13Å; A535-I537 VanDerWaalsContact O-N 3.12Å
536	L	30.8	Very low	44.1	Very low	178 Å²	178	128.4 Å²	128.4	93%	0.932	69%	0.69	S	S	*	*			trans	-82	82.3	172.3	-71.1	169.9	0	0	0	109.1	H534	H534-L536 PolarHBondContact O-N 3.26Å
537	I	33.5	Very low	46.7	Very low	144 Å²	144	125.8 Å²	125.8	74%	0.738	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-100.7	121.1	167.5	-51.7	179.8	0	0	0	106.5	A535	A535-I537 VanDerWaalsContact C-N 3.34Å; A535-I537 HydrophobicContact CB-CD1 4.44Å; A535-I537 HydrophobicContact CB-CG1 4.18Å; A535-I537 PolarHBondContact O-N 3.13Å; A535-I537 VanDerWaalsContact O-N 3.12Å
538	P	32.7	Very low	49.1	Very low	96 Å²	96	128.1 Å²	128.1	62%	0.623	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-58.9	160.1	170.2	-21.9	33.9	0	0	0	111.3
539	P	36.7	Very low	51.8	Low	82 Å²	82	128.1 Å²	128.1	53%	0.532	68%	0.678	S	S	.	*	P	Polyproline II helix	trans	-57.7	147.5	166.5	28.7	-35.2	0	0	0	109.9	C260 D541	C260-P539 HydrophobicContact CB-CG 4.44Å; P539-D541 PolarHBondContact O-N 3.17Å
540	E	39.6	Very low	54.1	Low	197 Å²	197	121 Å²	121	92%	0.921	65%	0.646	S	S	*	*			trans	-63.4	102	176.1	-66.9	178.5	165.3	0	0	110.1	K542	E540-K542 PolarHBondContact O-N 3.44Å
541	D	57.1	Low	56.7	Low	129 Å²	129	115.1 Å²	115.1	69%	0.69	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-63.8	131.6	169.1	-78.8	-41.7	0	0	0	109	P539	P539-D541 PolarHBondContact O-N 3.17Å
542	K	70.5	Confident	59.1	Low	189 Å²	189	109.2 Å²	109.2	82%	0.822	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-64.2	140.4	-175.5	-66.1	179.3	179.9	178.3	0	110.2	E540 I544	E540-K542 PolarHBondContact O-N 3.44Å; K542-I544 PolarHBondContact O-N 3.02Å
543	P	76.4	Confident	61.6	Low	48 Å²	48	111.2 Å²	111.2	31%	0.312	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-58.6	138	178.3	26	-35.5	0	0	0	110.8	L545	P543-L545 VanDerWaalsContact C-N 3.3Å; P543-L545 HydrophobicContact CB-CD2 3.96Å; P543-L545 HydrophobicContact CB-CG 4.18Å; P543-L545 HydrophobicContact CG-CD1 4.41Å; P543-L545 HydrophobicContact CG-CD2 4.31Å; P543-L545 HydrophobicContact CG-CG 4.2Å; P543-L545 PolarHBondContact O-N 2.8Å
544	I	83.8	Confident	64.1	Low	81 Å²	81	108 Å²	108	42%	0.415	57%	0.569	S	S	.	*			trans	-85.5	78.4	-178.8	-43.9	-179.6	0	0	0	107.9	K542 A614 Y756	K542-I544 PolarHBondContact O-N 3.02Å; I544-A614 HydrophobicContact CB-CB 4.16Å; I544-Y756 PolarHBondContact N-OH 3.35Å
545	L	87.8	Confident	66.9	Low	69 Å²	69	100.6 Å²	100.6	36%	0.361	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-78.4	146	-178.5	-55.8	179.5	0	0	0	111.3	P543 N610 D755	P543-L545 VanDerWaalsContact C-N 3.3Å; P543-L545 HydrophobicContact CB-CD2 3.96Å; P543-L545 HydrophobicContact CB-CG 4.18Å; P543-L545 HydrophobicContact CG-CD1 4.41Å; P543-L545 HydrophobicContact CG-CD2 4.31Å; P543-L545 HydrophobicContact CG-CG 4.2Å; P543-L545 PolarHBondContact O-N 2.8Å; L545-N610 HydrophobicContact CD2-CB 4.26Å; L545-D755 HydrophobicContact CD2-CB 3.93Å
546	A	84.9	Confident	69.5	Low	17 Å²	17	101 Å²	101	14%	0.14	52%	0.524	C	S	.	.	P	Polyproline II helix	trans	-67.2	142.7	176.7	0	0	0	0	0	111	L550 M609 N610 H613	A546-L550 HydrophobicContact CB-CD2 3.64Å; A546-M609 HydrophobicContact CB-CB 4.05Å; A546-N610 PolarHBondContact N-OD1 2.85Å; A546-H613 HydrophobicContact CB-CB 4.13Å
547	Q	80.8	Confident	72.3	Confident	149 Å²	149	96.2 Å²	96.2	70%	0.696	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-85.2	143.9	178.4	-63.9	179.7	6	0	0	110.7	P549	Q547-P549 CarbonylContact O-C 3.5Å
548	E	80.6	Confident	74.9	Confident	177 Å²	177	89.8 Å²	89.8	83%	0.827	47%	0.471	S	S	*	.	S	Bend	trans	-80.6	143	172.8	-67	-178.6	175.5	0	0	111.4
549	P	82.8	Confident	77.6	Confident	110 Å²	110	85.8 Å²	85.8	71%	0.714	44%	0.444	S	S	*	.	S	Bend	cis	-72.1	141.7	-4.9	31.5	-35.4	0	0	0	112.1	Q547 V551	Q547-P549 CarbonylContact O-C 3.5Å; P549-V551 VanDerWaalsContact C-N 3.32Å; P549-V551 PolarHBondContact O-N 3.2Å
550	L	81.7	Confident	80.1	Confident	41 Å²	41	85.5 Å²	85.5	22%	0.215	44%	0.444	C	S	.	.	S	Bend	trans	-66.5	-30.5	-175.1	-63.2	178.5	0	0	0	113.5	A546 Q586 V605 M609	A546-L550 HydrophobicContact CB-CD2 3.64Å; L550-Q586 PolarHBondContact O-NE2 2.96Å; L550-V605 HydrophobicContact CD1-CG1 4.34Å; L550-M609 HydrophobicContact CB-CG 4.21Å; L550-M609 HydrophobicContact CD1-CB 4.39Å; L550-M609 HydrophobicContact CD1-CG 4.38Å; L550-M609 HydrophobicContact CD2-CB 4.12Å; L550-M609 WeakPolarHBondContact O-CE 3.43Å
551	V	81.8	Confident	82.6	Confident	38 Å²	38	80 Å²	80	23%	0.23	42%	0.418	C	S	.	.	S	Bend	trans	-111.3	135.8	-177.9	-176.6	0	0	0	0	109.7	P549 Y589	P549-V551 VanDerWaalsContact C-N 3.32Å; P549-V551 PolarHBondContact O-N 3.2Å; V551-Y589 HydrophobicContact CG1-CD1 4.31Å; V551-Y589 HydrophobicContact CG1-CE1 4.15Å; V551-Y589 HydrophobicContact CG2-CD1 3.87Å; V551-Y589 HydrophobicContact CG2-CD2 4.33Å; V551-Y589 HydrophobicContact CG2-CE1 3.59Å; V551-Y589 HydrophobicContact CG2-CE2 4.08Å; V551-Y589 HydrophobicContact CG2-CG 4.25Å
552	M	82.3	Confident	84.3	Confident	22 Å²	22	74.3 Å²	74.3	11%	0.108	39%	0.387	C	S	.	.			trans	-95.4	105	179.4	-72.6	-172.1	56.8	0	0	112.2	D554 L555 R582	M552-D554 VanDerWaalsContact C-N 3.29Å; M552-D554 WeakPolarHBondContact CE-OD1 3.49Å; M552-D554 WeakPolarHBondContact CE-OD2 3.27Å; M552-D554 PolarHBondContact O-N 3.01Å; M552-L555 HydrophobicContact CB-CD1 3.75Å; M552-L555 HydrophobicContact CB-CG 3.82Å; M552-L555 HydrophobicContact CE-CD1 4.23Å; M552-L555 HydrophobicContact CE-CD2 4.31Å; M552-L555 HydrophobicContact CE-CG 4.14Å; M552-L555 HydrophobicContact CG-CD1 4.47Å; M552-L555 PolarHBondContact O-N 2.75Å; M552-L555 HydrophobicContact SD-CD1 4.15Å; M552-R582 HydrophobicContact SD-CB 4Å; M552-R582 HydrophobicContact SD-CG 3.75Å
553	E	80.4	Confident	85.3	Confident	170 Å²	170	68 Å²	68	79%	0.794	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-63	-30.4	177.9	-63.5	-178.4	174.1	0	0	113.2	L555 E556	E553-L555 PolarHBondContact O-N 3.36Å; E553-L555 VanDerWaalsContact O-N 3.16Å; E553-E556 WeakPolarHBondContact O-CB 3.19Å; E553-E556 PolarHBondContact O-N 3.18Å; E553-E556 VanDerWaalsContact O-N 3.17Å
554	D	83.9	Confident	86.2	Confident	99 Å²	99	68.7 Å²	68.7	53%	0.529	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-69	-11	-179.3	61.6	-58.6	0	0	0	114	M552	M552-D554 VanDerWaalsContact C-N 3.29Å; M552-D554 WeakPolarHBondContact CE-OD1 3.49Å; M552-D554 WeakPolarHBondContact CE-OD2 3.27Å; M552-D554 PolarHBondContact O-N 3.01Å
555	L	85.9	Confident	86.8	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.005	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-90.4	-11.3	175.6	-55.5	-176.9	0	0	0	113.7	M552 E553 P557 L558 M559 L572 T576 Q586	M552-L555 HydrophobicContact CB-CD1 3.75Å; M552-L555 HydrophobicContact CB-CG 3.82Å; M552-L555 HydrophobicContact CE-CD1 4.23Å; M552-L555 HydrophobicContact CE-CD2 4.31Å; M552-L555 HydrophobicContact CE-CG 4.14Å; M552-L555 HydrophobicContact CG-CD1 4.47Å; M552-L555 PolarHBondContact O-N 2.75Å; M552-L555 HydrophobicContact SD-CD1 4.15Å; E553-L555 PolarHBondContact O-N 3.36Å; E553-L555 VanDerWaalsContact O-N 3.16Å; L555-P557 VanDerWaalsContact C-CD 3.41Å; L555-P557 VanDerWaalsContact C-N 3.33Å; L555-P557 VanDerWaalsContact O-N 3.17Å; L555-L558 WeakPolarHBondContact O-CA 3.4Å; L555-L558 PolarHBondContact O-N 3.14Å; L555-M559 HydrophobicContact CB-CE 4.09Å; L555-M559 HydrophobicContact CB-CG 4.26Å; L555-M559 HydrophobicContact CD1-CE 4Å; L555-M559 PolarHBondContact O-N 3.03Å; L555-L572 HydrophobicContact CD1-CD1 4.08Å; L555-L572 HydrophobicContact CD2-CD1 3.9Å; L555-L572 HydrophobicContact CG-CD1 4.44Å; L555-T576 HydrophobicContact CD1-CG2 4.22Å; L555-T576 HydrophobicContact CD2-CG2 4.01Å; L555-Q586 HydrophobicContact CD1-CB 4.19Å; L555-Q586 HydrophobicContact CD1-CG 4.05Å
556	E	86.5	Confident	87.3	Confident	85 Å²	85	62.4 Å²	62.4	40%	0.397	33%	0.331	S	S	.	.	H	α-helix	trans	-49.1	-41.9	-177.9	-166.8	65.6	-117.6	0	0	114.3	E553 L558 M559 S560 R590	E553-E556 WeakPolarHBondContact O-CB 3.19Å; E553-E556 PolarHBondContact O-N 3.18Å; E553-E556 VanDerWaalsContact O-N 3.17Å; E556-L558 PolarHBondContact O-N 3.23Å; E556-L558 VanDerWaalsContact O-N 3.12Å; E556-M559 PolarHBondContact O-N 3.03Å; E556-S560 PolarHBondContact O-N 2.93Å; E556-S560 PolarHBondContact O-OG 2.99Å; E556-R590 IonicContact OE1-NH1 2.73Å; E556-R590 PolarHBondContact OE1-NH1 3.41Å; E556-R590 IonicContact OE2-CZ 3.2Å; E556-R590 IonicContact OE2-NH1 2.93Å; E556-R590 PolarHBondContact OE2-NH1 3.31Å; E556-R590 IonicContact OE2-NH2 2.66Å; E556-R590 PolarHBondContact OE2-NH2 3.46Å
557	P	88.3	Confident	87.9	Confident	77 Å²	77	61.6 Å²	61.6	50%	0.5	33%	0.325	S	S	.	.	H	α-helix	trans	-70.8	-6.4	178.4	-18	33.7	0	0	0	114.8	L555 Q561	L555-P557 VanDerWaalsContact C-CD 3.41Å; L555-P557 VanDerWaalsContact C-N 3.33Å; L555-P557 VanDerWaalsContact O-N 3.17Å; P557-Q561 PolarHBondContact O-NE2 3.12Å
558	L	88.2	Confident	88.6	Confident	9 Å²	9	55.9 Å²	55.9	5%	0.047	30%	0.301	C	S	.	.	H	α-helix	trans	-101	-42.2	166.8	-65.9	-179.4	0	0	0	111	L555 E556 S560 Q561 P568 T571 L572 K575	L555-L558 WeakPolarHBondContact O-CA 3.4Å; L555-L558 PolarHBondContact O-N 3.14Å; E556-L558 PolarHBondContact O-N 3.23Å; E556-L558 VanDerWaalsContact O-N 3.12Å; L558-S560 VanDerWaalsContact C-N 3.26Å; L558-S560 PolarHBondContact O-N 3.25Å; L558-Q561 WeakPolarHBondContact O-CA 3.45Å; L558-Q561 VanDerWaalsContact O-CB 3.3Å; L558-Q561 WeakPolarHBondContact O-CB 3.4Å; L558-Q561 PolarHBondContact O-N 3.28Å; L558-P568 HydrophobicContact CD2-CG 4.24Å; L558-T571 HydrophobicContact CD2-CG2 4.37Å; L558-L572 HydrophobicContact CD1-CB 3.94Å; L558-L572 HydrophobicContact CD1-CD1 4.03Å; L558-K575 HydrophobicContact CD1-CD 3.7Å; L558-K575 HydrophobicContact CD1-CG 4.34Å; L558-K575 HydrophobicContact CG-CD 4.37Å
559	M	90.3	Very high	89.3	Confident	12 Å²	12	47.5 Å²	47.5	6%	0.059	26%	0.261	C	S	.	.	H	α-helix	trans	-61.1	-34.1	-179.8	-61.1	-58.5	-178.1	0	0	112.5	L555 E556 Q561 L562 L572 Q586 V587 R590	L555-M559 HydrophobicContact CB-CE 4.09Å; L555-M559 HydrophobicContact CB-CG 4.26Å; L555-M559 HydrophobicContact CD1-CE 4Å; L555-M559 PolarHBondContact O-N 3.03Å; E556-M559 PolarHBondContact O-N 3.03Å; M559-Q561 PolarHBondContact O-N 2.84Å; M559-L562 HydrophobicContact CB-CD1 4.38Å; M559-L562 WeakPolarHBondContact O-CB 3.42Å; M559-L562 WeakPolarHBondContact O-CD1 3.49Å; M559-L562 WeakPolarHBondContact O-CG 3.37Å; M559-L562 PolarHBondContact O-N 3.12Å; M559-L562 VanDerWaalsContact O-N 3.12Å; M559-L562 HydrophobicContact SD-CD1 4.24Å; M559-L572 HydrophobicContact CE-CD1 4.37Å; M559-L572 HydrophobicContact CE-CD2 4.44Å; M559-Q586 HydrophobicContact CE-CB 3.75Å; M559-V587 HydrophobicContact CE-CG2 3.99Å; M559-V587 HydrophobicContact SD-CG2 4.14Å; M559-R590 HydrophobicContact CB-CG 4.3Å; M559-R590 HydrophobicContact CG-CG 4.02Å; M559-R590 HydrophobicContact SD-CG 4.13Å
560	S	89	Confident	89.9	Confident	76 Å²	76	44 Å²	44	53%	0.531	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-13.9	169.9	48.3	0	0	0	0	115	E556 L558	E556-S560 PolarHBondContact O-N 2.93Å; E556-S560 PolarHBondContact O-OG 2.99Å; L558-S560 VanDerWaalsContact C-N 3.26Å; L558-S560 PolarHBondContact O-N 3.25Å
561	Q	92.3	Very high	90.5	Very high	80 Å²	80	44.9 Å²	44.9	37%	0.374	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	5.4	178.4	-54.7	-179.1	51.4	0	0	113.8	P557 L558 M559 N563 N564	P557-Q561 PolarHBondContact O-NE2 3.12Å; L558-Q561 WeakPolarHBondContact O-CA 3.45Å; L558-Q561 VanDerWaalsContact O-CB 3.3Å; L558-Q561 WeakPolarHBondContact O-CB 3.4Å; L558-Q561 PolarHBondContact O-N 3.28Å; M559-Q561 PolarHBondContact O-N 2.84Å; Q561-N563 PolarHBondContact O-N 2.87Å; Q561-N564 WeakPolarHBondContact O-CB 3.36Å; Q561-N564 PolarHBondContact O-N 3.3Å
562	L	92.6	Very high	90.9	Very high	10 Å²	10	43.1 Å²	43.1	5%	0.052	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-32.8	178.8	-73.9	163.6	0	0	0	112.3	M559 N564 F567 V587 R590 L591 H635 W638	M559-L562 HydrophobicContact CB-CD1 4.38Å; M559-L562 WeakPolarHBondContact O-CB 3.42Å; M559-L562 WeakPolarHBondContact O-CD1 3.49Å; M559-L562 WeakPolarHBondContact O-CG 3.37Å; M559-L562 PolarHBondContact O-N 3.12Å; M559-L562 VanDerWaalsContact O-N 3.12Å; M559-L562 HydrophobicContact SD-CD1 4.24Å; L562-N564 PolarHBondContact O-N 3.01Å; L562-F567 HydrophobicContact CD2-CD2 3.99Å; L562-F567 HydrophobicContact CD2-CE1 4.25Å; L562-F567 HydrophobicContact CD2-CE2 3.7Å; L562-F567 HydrophobicContact CD2-CG 4.4Å; L562-F567 HydrophobicContact CD2-CZ 3.84Å; L562-F567 HydrophobicContact CG-CD2 4.43Å; L562-F567 HydrophobicContact CG-CE2 4.07Å; L562-V587 HydrophobicContact CD2-CG1 4.31Å; L562-R590 HydrophobicContact CD1-CB 4.17Å; L562-L591 HydrophobicContact CD1-CD2 3.98Å; L562-L591 HydrophobicContact CD2-CD2 4.43Å; L562-H635 PolarHBondContact O-NE2 2.88Å; L562-W638 HydrophobicContact CB-CH2 4.07Å; L562-W638 HydrophobicContact CB-CZ3 4.16Å; L562-W638 VanDerWaalsContact O-CZ3 3.26Å; L562-W638 WeakPolarHBondContact O-CZ3 3.29Å
563	N	91.9	Very high	91.4	Very high	58 Å²	58	45.3 Å²	45.3	31%	0.31	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	7.4	175	-58.2	-66.8	0	0	0	115.6	Q561 W638 Q643 T679	Q561-N563 PolarHBondContact O-N 2.87Å; N563-W638 WeakPolarHBondContact OD1-CH2 3.45Å; N563-Q643 PolarHBondContact OD1-NE2 3.48Å; N563-T679 WeakPolarHBondContact ND2-CB 3.35Å; N563-T679 VanDerWaalsContact ND2-CG2 3.32Å; N563-T679 WeakPolarHBondContact ND2-CG2 3.36Å; N563-T679 WeakPolarHBondContact OD1-CB 3.26Å; N563-T679 PolarHBondContact OD1-OG1 2.8Å
564	N	94.8	Very high	91.9	Very high	61 Å²	61	43.4 Å²	43.4	33%	0.326	23%	0.233	S	C	.	.	S	Bend	trans	-103.7	125.8	170.2	177.8	9.6	0	0	0	108.9	Q561 L562 N566 F567 H635	Q561-N564 WeakPolarHBondContact O-CB 3.36Å; Q561-N564 PolarHBondContact O-N 3.3Å; L562-N564 PolarHBondContact O-N 3.01Å; N564-N566 PolarHBondContact ND2-O 3.23Å; N564-N566 VanDerWaalsContact ND2-O 3.11Å; N564-N566 PolarHBondContact O-N 3.27Å; N564-N566 VanDerWaalsContact O-N 3.15Å; N564-N566 PolarHBondContact OD1-N 3.29Å; N564-N566 PolarHBondContact OD1-ND2 3Å; N564-F567 PolarHBondContact O-N 2.79Å; N564-F567 VanDerWaalsContact O-N 3.12Å; N564-H635 PolarHBondContact O-CE1 3.32Å; N564-H635 VanDerWaalsContact O-CE1 3.25Å; N564-H635 PolarHBondContact O-NE2 3.27Å
565	W	97.2	Very high	92.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-35.1	171.9	177.6	-116	0	0	0	112	F567 A636 Y639 L640 N827 L830 K831 I945	W565-F567 PolarHBondContact O-N 2.8Å; W565-A636 HydrophobicContact CH2-CB 3.88Å; W565-A636 HydrophobicContact CZ3-CB 3.75Å; W565-Y639 HydrophobicContact CB-CE1 4.02Å; W565-Y639 HydrophobicContact CB-CE2 3.98Å; W565-Y639 HydrophobicContact CD2-CD1 4.37Å; W565-Y639 HydrophobicContact CD2-CE1 4.43Å; W565-Y639 AromaticContact CE3-CD1 3.44Å; W565-Y639 HydrophobicContact CE3-CD1 3.44Å; W565-Y639 VanDerWaalsContact CE3-CD1 3.44Å; W565-Y639 HydrophobicContact CE3-CD2 4.5Å; W565-Y639 AromaticContact CE3-CE1 3.91Å; W565-Y639 HydrophobicContact CE3-CE1 3.91Å; W565-Y639 AromaticContact CE3-CG 3.79Å; W565-Y639 HydrophobicContact CE3-CG 3.79Å; W565-Y639 HydrophobicContact CZ3-CD1 4.03Å; W565-Y639 HydrophobicContact CZ3-CG 4.41Å; W565-L640 HydrophobicContact CH2-CD1 4.48Å; W565-L640 HydrophobicContact CH2-CD2 4.47Å; W565-L640 HydrophobicContact CH2-CG 4.39Å; W565-L640 HydrophobicContact CZ3-CD2 4.33Å; W565-L640 HydrophobicContact CZ3-CG 4.09Å; W565-N827 HydrophobicContact CH2-CB 4.28Å; W565-N827 HydrophobicContact CZ2-CB 4.24Å; W565-L830 HydrophobicContact CZ2-CB 4.01Å; W565-L830 PolarHBondContact NE1-O 3.43Å; W565-K831 HydrophobicContact CD2-CD 4.38Å; W565-K831 HydrophobicContact CG-CD 4.49Å; W565-K831 HydrophobicContact CZ2-CD 4.47Å; W565-K831 WeakPolarHBondContact O-CD 3.42Å; W565-K831 WeakPolarHBondContact O-CE 3.44Å; W565-I945 HydrophobicContact CD2-CD1 3.83Å; W565-I945 HydrophobicContact CD2-CG1 4.02Å; W565-I945 HydrophobicContact CE3-CD1 3.97Å; W565-I945 HydrophobicContact CG-CD1 4.43Å; W565-I945 HydrophobicContact CG-CG1 4.18Å; W565-I945 HydrophobicContact CH2-CD1 4.06Å; W565-I945 HydrophobicContact CZ2-CD1 3.93Å; W565-I945 HydrophobicContact CZ2-CG1 4.28Å; W565-I945 HydrophobicContact CZ2-CG2 3.99Å; W565-I945 HydrophobicContact CZ3-CD1 4.08Å
566	N	97.7	Very high	92.1	Very high	19 Å²	19	43.3 Å²	43.3	10%	0.102	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	51.6	178.4	-44.8	-87.2	0	0	0	110	N564 C832 L835 Q944 H948	N564-N566 PolarHBondContact ND2-O 3.23Å; N564-N566 VanDerWaalsContact ND2-O 3.11Å; N564-N566 PolarHBondContact O-N 3.27Å; N564-N566 VanDerWaalsContact O-N 3.15Å; N564-N566 PolarHBondContact OD1-N 3.29Å; N564-N566 PolarHBondContact OD1-ND2 3Å; N566-C832 WeakPolarHBondContact OD1-CB 3.35Å; N566-C832 PolarHBondContact OD1-N 3.16Å; N566-L835 HydrophobicContact CB-CD1 4Å; N566-Q944 VanDerWaalsContact ND2-CD 3.34Å; N566-Q944 PolarHBondContact ND2-NE2 3.16Å; N566-Q944 PolarHBondContact ND2-OE1 3.29Å; N566-H948 PolarHBondContact OD1-CD2 3.39Å; N566-H948 PolarHBondContact OD1-NE2 3.13Å
567	F	97	Very high	91.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.236	C	C	.	.			trans	-56.6	129.4	177.4	175.1	-113.8	0	0	0	110	L562 N564 W565 I569 L572 H635	L562-F567 HydrophobicContact CD2-CD2 3.99Å; L562-F567 HydrophobicContact CD2-CE1 4.25Å; L562-F567 HydrophobicContact CD2-CE2 3.7Å; L562-F567 HydrophobicContact CD2-CG 4.4Å; L562-F567 HydrophobicContact CD2-CZ 3.84Å; L562-F567 HydrophobicContact CG-CD2 4.43Å; L562-F567 HydrophobicContact CG-CE2 4.07Å; N564-F567 PolarHBondContact O-N 2.79Å; N564-F567 VanDerWaalsContact O-N 3.12Å; W565-F567 PolarHBondContact O-N 2.8Å; F567-I569 HydrophobicContact CD1-CB 3.85Å; F567-I569 HydrophobicContact CD1-CG1 4.29Å; F567-I569 HydrophobicContact CE1-CB 4.06Å; F567-I569 HydrophobicContact CE1-CG1 4.12Å; F567-I569 PolarHBondContact O-N 3.39Å; F567-L572 HydrophobicContact CE1-CD2 4.15Å; F567-L572 HydrophobicContact CZ-CD2 4.05Å; F567-H635 VanDerWaalsContact CB-CE1 3.43Å; F567-H635 WeakPolarHBondContact CB-CE1 3.32Å
568	P	94.9	Very high	91.4	Very high	29 Å²	29	41.4 Å²	41.4	19%	0.188	22%	0.221	C	C	.	.			trans	-78.2	63.7	-173.7	32.2	-37.3	0	0	0	112	L558 F570 T571 L572	L558-P568 HydrophobicContact CD2-CG 4.24Å; P568-F570 VanDerWaalsContact C-N 3.34Å; P568-F570 PolarHBondContact O-N 2.94Å; P568-T571 WeakPolarHBondContact O-CB 3.45Å; P568-T571 PolarHBondContact O-N 2.93Å; P568-L572 PolarHBondContact O-N 2.74Å; P568-L572 VanDerWaalsContact O-N 3.17Å
569	I	95.9	Very high	90.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-34.8	-171.5	-164.2	173.3	0	0	0	113.4	F567 T571 L572 M573 I628 T631 D632 W839	F567-I569 HydrophobicContact CD1-CB 3.85Å; F567-I569 HydrophobicContact CD1-CG1 4.29Å; F567-I569 HydrophobicContact CE1-CB 4.06Å; F567-I569 HydrophobicContact CE1-CG1 4.12Å; F567-I569 PolarHBondContact O-N 3.39Å; I569-T571 VanDerWaalsContact C-N 3.31Å; I569-T571 PolarHBondContact O-N 3.18Å; I569-L572 WeakPolarHBondContact O-CB 3.29Å; I569-L572 PolarHBondContact O-N 3.08Å; I569-L572 VanDerWaalsContact O-N 3.13Å; I569-M573 PolarHBondContact O-N 3.25Å; I569-I628 HydrophobicContact CD1-CG2 3.85Å; I569-I628 VanDerWaalsContact CD1-O 3.28Å; I569-I628 WeakPolarHBondContact CD1-O 3.4Å; I569-I628 HydrophobicContact CG1-CG2 3.86Å; I569-T631 HydrophobicContact CD1-CG2 3.99Å; I569-D632 HydrophobicContact CD1-CB 3.67Å; I569-W839 HydrophobicContact CG2-CZ2 4.1Å
570	F	95.2	Very high	90.3	Very high	38 Å²	38	47 Å²	47	17%	0.167	25%	0.249	C	C	.	.	H	α-helix	trans	-67.2	-31.5	174.1	-64.5	-73.2	0	0	0	112	P568 L572 M573 E574 L835 Q838 W839	P568-F570 VanDerWaalsContact C-N 3.34Å; P568-F570 PolarHBondContact O-N 2.94Å; F570-L572 VanDerWaalsContact C-N 3.35Å; F570-M573 WeakPolarHBondContact O-CB 3.4Å; F570-M573 PolarHBondContact O-N 3.4Å; F570-E574 WeakPolarHBondContact O-CG 3.43Å; F570-E574 PolarHBondContact O-N 3.46Å; F570-L835 HydrophobicContact CD2-CD2 3.8Å; F570-L835 HydrophobicContact CE2-CD2 4.19Å; F570-Q838 HydrophobicContact CD2-CB 4Å; F570-Q838 HydrophobicContact CD2-CG 4.43Å; F570-Q838 HydrophobicContact CE1-CB 4.44Å; F570-Q838 HydrophobicContact CE2-CB 3.55Å; F570-Q838 HydrophobicContact CE2-CG 4.46Å; F570-Q838 HydrophobicContact CZ-CB 3.8Å; F570-W839 HydrophobicContact CE1-CH2 4.23Å; F570-W839 HydrophobicContact CE1-CZ2 4.48Å; F570-W839 HydrophobicContact CE1-CZ3 4.3Å; F570-W839 HydrophobicContact CE2-CD2 4.21Å; F570-W839 AromaticContact CE2-CE2 3.92Å; F570-W839 HydrophobicContact CE2-CZ2 4.14Å; F570-W839 AromaticContact CZ-CD2 3.7Å; F570-W839 HydrophobicContact CZ-CD2 3.7Å; F570-W839 AromaticContact CZ-CE2 3.67Å; F570-W839 AromaticContact CZ-CE3 3.81Å; F570-W839 HydrophobicContact CZ-CE3 3.81Å; F570-W839 HydrophobicContact CZ-CG 4.36Å; F570-W839 AromaticContact CZ-CH2 3.82Å; F570-W839 HydrophobicContact CZ-CH2 3.82Å; F570-W839 AromaticContact CZ-CZ2 3.72Å; F570-W839 HydrophobicContact CZ-CZ2 3.72Å; F570-W839 AromaticContact CZ-CZ3 3.88Å; F570-W839 HydrophobicContact CZ-CZ3 3.88Å
571	T	94	Very high	89.7	Confident	59 Å²	59	43.9 Å²	43.9	36%	0.362	23%	0.228	S	C	.	.	H	α-helix	trans	-70.5	-29.9	171.3	-50.6	0	0	0	0	112.3	L558 P568 I569 K575	L558-T571 HydrophobicContact CD2-CG2 4.37Å; P568-T571 WeakPolarHBondContact O-CB 3.45Å; P568-T571 PolarHBondContact O-N 2.93Å; I569-T571 VanDerWaalsContact C-N 3.31Å; I569-T571 PolarHBondContact O-N 3.18Å; T571-K575 WeakPolarHBondContact O-CG 3.38Å; T571-K575 PolarHBondContact O-N 2.86Å; T571-K575 VanDerWaalsContact O-N 3.1Å
572	L	91.4	Very high	89.3	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.4	-43.6	168.8	176.4	62.8	0	0	0	111.1	L555 L558 M559 F567 P568 I569 F570 K575 T576 I583 V587	L555-L572 HydrophobicContact CD1-CD1 4.08Å; L555-L572 HydrophobicContact CD2-CD1 3.9Å; L555-L572 HydrophobicContact CG-CD1 4.44Å; L558-L572 HydrophobicContact CD1-CB 3.94Å; L558-L572 HydrophobicContact CD1-CD1 4.03Å; M559-L572 HydrophobicContact CE-CD1 4.37Å; M559-L572 HydrophobicContact CE-CD2 4.44Å; F567-L572 HydrophobicContact CE1-CD2 4.15Å; F567-L572 HydrophobicContact CZ-CD2 4.05Å; P568-L572 PolarHBondContact O-N 2.74Å; P568-L572 VanDerWaalsContact O-N 3.17Å; I569-L572 WeakPolarHBondContact O-CB 3.29Å; I569-L572 PolarHBondContact O-N 3.08Å; I569-L572 VanDerWaalsContact O-N 3.13Å; F570-L572 VanDerWaalsContact C-N 3.35Å; L572-K575 PolarHBondContact O-N 3.18Å; L572-T576 HydrophobicContact CD1-CG2 4.01Å; L572-T576 WeakPolarHBondContact O-CB 3.1Å; L572-T576 WeakPolarHBondContact O-CG2 3.47Å; L572-T576 PolarHBondContact O-N 2.88Å; L572-T576 PolarHBondContact O-OG1 3.06Å; L572-I583 HydrophobicContact CD2-CG2 4.1Å; L572-V587 HydrophobicContact CD2-CG2 3.84Å
573	M	91.4	Very high	89.3	Confident	69 Å²	69	43.7 Å²	43.7	34%	0.34	22%	0.223	S	C	.	.	H	α-helix	trans	-58.6	-47.4	173.7	-176.9	-73.7	-164.5	0	0	111.6	I569 F570 T576 N577 G578 I583 I628	I569-M573 PolarHBondContact O-N 3.25Å; F570-M573 WeakPolarHBondContact O-CB 3.4Å; F570-M573 PolarHBondContact O-N 3.4Å; M573-T576 PolarHBondContact O-N 3.37Å; M573-T576 PolarHBondContact O-OG1 3.24Å; M573-T576 VanDerWaalsContact O-OG1 3.06Å; M573-N577 CarbonylContact O-C 3.57Å; M573-N577 WeakPolarHBondContact O-CA 3.48Å; M573-N577 PolarHBondContact O-N 3.39Å; M573-G578 PolarHBondContact O-N 3.49Å; M573-I583 HydrophobicContact CB-CD1 4.21Å; M573-I583 HydrophobicContact CG-CD1 4.28Å; M573-I628 HydrophobicContact CB-CD1 4.37Å; M573-I628 HydrophobicContact CE-CD1 4.39Å; M573-I628 HydrophobicContact CG-CD1 3.6Å; M573-I628 HydrophobicContact CG-CG1 4.19Å
574	E	90.8	Very high	89.5	Confident	130 Å²	130	40.9 Å²	40.9	61%	0.607	21%	0.209	S	C	*	.	H	α-helix	trans	-58.6	-50.9	177.6	-75.2	-179.5	146.3	0	0	112.3	F570 T576 N577	F570-E574 WeakPolarHBondContact O-CG 3.43Å; F570-E574 PolarHBondContact O-N 3.46Å; E574-T576 PolarHBondContact O-N 3.13Å; E574-N577 PolarHBondContact O-N 2.9Å; E574-N577 VanDerWaalsContact O-N 3.07Å; E574-N577 PolarHBondContact O-ND2 3.26Å
575	K	88.1	Confident	89.5	Confident	94 Å²	94	38 Å²	38	41%	0.409	19%	0.193	S	C	.	.	H	α-helix	trans	-59.7	-43.4	178.9	-79.2	-161.7	-171.8	179.5	0	112.5	L558 T571 L572 N577	L558-K575 HydrophobicContact CD1-CD 3.7Å; L558-K575 HydrophobicContact CD1-CG 4.34Å; L558-K575 HydrophobicContact CG-CD 4.37Å; T571-K575 WeakPolarHBondContact O-CG 3.38Å; T571-K575 PolarHBondContact O-N 2.86Å; T571-K575 VanDerWaalsContact O-N 3.1Å; L572-K575 PolarHBondContact O-N 3.18Å; K575-N577 PolarHBondContact O-N 2.98Å
576	T	87.4	Confident	89.4	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.018	19%	0.194	C	C	.	.	H	α-helix	trans	-77.4	-9	178.5	56.9	0	0	0	0	112.8	L555 L572 M573 E574 G578 K579 R582 I583	L555-T576 HydrophobicContact CD1-CG2 4.22Å; L555-T576 HydrophobicContact CD2-CG2 4.01Å; L572-T576 HydrophobicContact CD1-CG2 4.01Å; L572-T576 WeakPolarHBondContact O-CB 3.1Å; L572-T576 WeakPolarHBondContact O-CG2 3.47Å; L572-T576 PolarHBondContact O-N 2.88Å; L572-T576 PolarHBondContact O-OG1 3.06Å; M573-T576 PolarHBondContact O-N 3.37Å; M573-T576 PolarHBondContact O-OG1 3.24Å; M573-T576 VanDerWaalsContact O-OG1 3.06Å; E574-T576 PolarHBondContact O-N 3.13Å; T576-G578 VanDerWaalsContact C-N 3.26Å; T576-G578 PolarHBondContact O-N 3.14Å; T576-K579 WeakPolarHBondContact O-CB 3.28Å; T576-K579 WeakPolarHBondContact O-CD 3.47Å; T576-K579 VanDerWaalsContact O-CG 3.3Å; T576-K579 WeakPolarHBondContact O-CG 3.27Å; T576-K579 PolarHBondContact O-N 3.06Å; T576-R582 HydrophobicContact CG2-CB 3.75Å; T576-R582 WeakPolarHBondContact CG2-O 3.16Å; T576-I583 HydrophobicContact CG2-CG1 4.27Å; T576-I583 WeakPolarHBondContact OG1-CD1 3.37Å; T576-I583 WeakPolarHBondContact OG1-CG1 3.44Å
577	N	82.4	Confident	89.4	Confident	106 Å²	106	37.3 Å²	37.3	57%	0.567	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	33.6	-170.9	-38.6	133.3	0	0	0	113.3	M573 E574 K575 K579	M573-N577 CarbonylContact O-C 3.57Å; M573-N577 WeakPolarHBondContact O-CA 3.48Å; M573-N577 PolarHBondContact O-N 3.39Å; E574-N577 PolarHBondContact O-N 2.9Å; E574-N577 VanDerWaalsContact O-N 3.07Å; E574-N577 PolarHBondContact O-ND2 3.26Å; K575-N577 PolarHBondContact O-N 2.98Å; N577-K579 HydrophobicContact CB-CG 4.43Å; N577-K579 PolarHBondContact O-N 3.06Å; N577-K579 PolarHBondContact OD1-NZ 2.82Å
578	G	76.7	Confident	89.4	Confident	17 Å²	17	37.3 Å²	37.3	18%	0.175	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	6.4	-176.2	0	0	0	0	0	115	M573 T576 C580	M573-G578 PolarHBondContact O-N 3.49Å; T576-G578 VanDerWaalsContact C-N 3.26Å; T576-G578 PolarHBondContact O-N 3.14Å; G578-C580 PolarHBondContact O-N 2.93Å
579	K	78.1	Confident	89.5	Confident	98 Å²	98	37.5 Å²	37.5	43%	0.426	19%	0.186	S	C	.	.			trans	-64.3	128.3	-174.9	-70.5	168.1	-175.7	142.1	0	110.4	T576 N577 R582	T576-K579 WeakPolarHBondContact O-CB 3.28Å; T576-K579 WeakPolarHBondContact O-CD 3.47Å; T576-K579 VanDerWaalsContact O-CG 3.3Å; T576-K579 WeakPolarHBondContact O-CG 3.27Å; T576-K579 PolarHBondContact O-N 3.06Å; N577-K579 HydrophobicContact CB-CG 4.43Å; N577-K579 PolarHBondContact O-N 3.06Å; N577-K579 PolarHBondContact OD1-NZ 2.82Å; K579-R582 HydrophobicContact CB-CG 4.4Å; K579-R582 WeakPolarHBondContact O-CB 3.45Å
580	C	77.2	Confident	89.4	Confident	41 Å²	41	39.1 Å²	39.1	28%	0.277	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	146.8	169.6	-177.3	0	0	0	0	112.2	G578 E616 S617	G578-C580 PolarHBondContact O-N 2.93Å; C580-E616 PolarHBondContact SG-O 3.32Å; C580-S617 WeakPolarHBondContact SG-CA 3.4Å; C580-S617 PolarHBondContact SG-N 2.68Å; C580-S617 PolarHBondContact SG-OG 3.24Å
581	G	75.9	Confident	89.5	Confident	9 Å²	9	37.3 Å²	37.3	9%	0.093	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	18.4	-177.7	0	0	0	0	0	114.1	S585 H613 E616	G581-S585 WeakPolarHBondContact CA-OG 3.43Å; G581-S585 PolarHBondContact O-OG 2.87Å; G581-H613 VanDerWaalsContact CA-ND1 3.26Å; G581-H613 WeakPolarHBondContact CA-ND1 3.3Å; G581-E616 WeakPolarHBondContact CA-OE2 3.33Å; G581-E616 PolarHBondContact N-OE1 3.08Å; G581-E616 PolarHBondContact N-OE2 3.13Å
582	R	84.1	Confident	89.6	Confident	86 Å²	86	34.6 Å²	34.6	33%	0.325	17%	0.168	S	C	.	.	S	Bend	trans	-140.6	-11	-171.3	-54.5	-167.4	179.5	-131.5	-10.9	115	M552 T576 K579 Q586 E616	M552-R582 HydrophobicContact SD-CB 4Å; M552-R582 HydrophobicContact SD-CG 3.75Å; T576-R582 HydrophobicContact CG2-CB 3.75Å; T576-R582 WeakPolarHBondContact CG2-O 3.16Å; K579-R582 HydrophobicContact CB-CG 4.4Å; K579-R582 WeakPolarHBondContact O-CB 3.45Å; R582-Q586 VanDerWaalsContact O-CG 3.32Å; R582-Q586 WeakPolarHBondContact O-CG 3.34Å; R582-E616 PolarHBondContact N-OE1 3.27Å; R582-E616 PolarHBondContact N-OE2 3.11Å
583	I	92.4	Very high	89.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-110.4	-79.1	-179.5	-55.8	178.3	0	0	0	108.6	L572 M573 T576 S585 Q586 V587 E616 I628 T631	L572-I583 HydrophobicContact CD2-CG2 4.1Å; M573-I583 HydrophobicContact CB-CD1 4.21Å; M573-I583 HydrophobicContact CG-CD1 4.28Å; T576-I583 HydrophobicContact CG2-CG1 4.27Å; T576-I583 WeakPolarHBondContact OG1-CD1 3.37Å; T576-I583 WeakPolarHBondContact OG1-CG1 3.44Å; I583-S585 PolarHBondContact O-N 2.75Å; I583-Q586 PolarHBondContact O-N 2.67Å; I583-V587 WeakPolarHBondContact O-CG2 3.23Å; I583-V587 PolarHBondContact O-N 3.07Å; I583-E616 PolarHBondContact N-OE1 3.4Å; I583-I628 HydrophobicContact CD1-CG1 4.32Å; I583-T631 HydrophobicContact CG2-CG2 4.01Å
584	L	96.6	Very high	89.7	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.5	-51.4	-176.3	-178.8	63.7	0	0	0	111.8	Q586 V587 S588 L615 E616 Y619 A630 T631 L634 A707	L584-Q586 VanDerWaalsContact C-N 3.34Å; L584-Q586 PolarHBondContact O-N 3.43Å; L584-V587 PolarHBondContact O-N 3.47Å; L584-S588 WeakPolarHBondContact O-CB 3.23Å; L584-S588 PolarHBondContact O-N 2.87Å; L584-S588 PolarHBondContact O-OG 3.11Å; L584-S588 VanDerWaalsContact O-OG 3.06Å; L584-L615 HydrophobicContact CD2-CD2 4.35Å; L584-E616 HydrophobicContact CB-CB 4.19Å; L584-E616 HydrophobicContact CB-CG 3.88Å; L584-E616 HydrophobicContact CD2-CB 4.33Å; L584-E616 PolarHBondContact N-OE2 2.88Å; L584-Y619 HydrophobicContact CD2-CD2 4.33Å; L584-Y619 HydrophobicContact CD2-CE2 4.1Å; L584-A630 HydrophobicContact CD1-CB 4.36Å; L584-A630 HydrophobicContact CD2-CB 4.49Å; L584-T631 WeakPolarHBondContact CA-OG1 3.42Å; L584-T631 WeakPolarHBondContact CB-OG1 3.08Å; L584-T631 WeakPolarHBondContact CD1-OG1 3.36Å; L584-T631 PolarHBondContact N-OG1 3.06Å; L584-L634 HydrophobicContact CD1-CD2 3.88Å; L584-A707 HydrophobicContact CD1-CB 3.99Å
585	S	95.4	Very high	89.8	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61	-37.6	179.9	51.2	0	0	0	0	113.7	G581 I583 Y589 E616	G581-S585 WeakPolarHBondContact CA-OG 3.43Å; G581-S585 PolarHBondContact O-OG 2.87Å; I583-S585 PolarHBondContact O-N 2.75Å; S585-Y589 WeakPolarHBondContact O-CB 3.39Å; S585-Y589 PolarHBondContact O-N 2.81Å; S585-E616 VanDerWaalsContact CB-OE2 3.28Å; S585-E616 WeakPolarHBondContact CB-OE2 3.32Å; S585-E616 PolarHBondContact N-OE2 3.16Å; S585-E616 PolarHBondContact OG-OE2 3.46Å
586	Q	94.9	Very high	90	Very high	5 Å²	5	25.3 Å²	25.3	2%	0.023	13%	0.128	C	C	.	.	H	α-helix	trans	-73.7	-39.6	178	-62.1	-65.8	-50.1	0	0	111.8	L550 L555 M559 R582 I583 L584 R590	L550-Q586 PolarHBondContact O-NE2 2.96Å; L555-Q586 HydrophobicContact CD1-CB 4.19Å; L555-Q586 HydrophobicContact CD1-CG 4.05Å; M559-Q586 HydrophobicContact CE-CB 3.75Å; R582-Q586 VanDerWaalsContact O-CG 3.32Å; R582-Q586 WeakPolarHBondContact O-CG 3.34Å; I583-Q586 PolarHBondContact O-N 2.67Å; L584-Q586 VanDerWaalsContact C-N 3.34Å; L584-Q586 PolarHBondContact O-N 3.43Å; Q586-R590 WeakPolarHBondContact O-CG 3.36Å; Q586-R590 PolarHBondContact O-N 3.13Å; Q586-R590 VanDerWaalsContact O-N 3.14Å
587	V	96.6	Very high	90.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.9	-47.7	174.8	173.4	0	0	0	0	110.4	M559 L562 L572 I583 L584 Y589 R590 L591 T631 L634	M559-V587 HydrophobicContact CE-CG2 3.99Å; M559-V587 HydrophobicContact SD-CG2 4.14Å; L562-V587 HydrophobicContact CD2-CG1 4.31Å; L572-V587 HydrophobicContact CD2-CG2 3.84Å; I583-V587 WeakPolarHBondContact O-CG2 3.23Å; I583-V587 PolarHBondContact O-N 3.07Å; L584-V587 PolarHBondContact O-N 3.47Å; V587-Y589 VanDerWaalsContact C-N 3.27Å; V587-Y589 PolarHBondContact O-N 3.49Å; V587-R590 PolarHBondContact O-N 3.31Å; V587-L591 HydrophobicContact CG1-CD1 3.79Å; V587-L591 HydrophobicContact CG1-CG 4.06Å; V587-L591 WeakPolarHBondContact O-CG 3.45Å; V587-L591 PolarHBondContact O-N 3.02Å; V587-T631 HydrophobicContact CB-CG2 3.77Å; V587-T631 HydrophobicContact CG1-CG2 3.96Å; V587-T631 HydrophobicContact CG2-CG2 3.62Å; V587-L634 HydrophobicContact CG1-CD2 4.16Å
588	S	97.8	Very high	91.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-51.4	-45.7	173.6	-68.5	0	0	0	0	112.1	L584 L591 F592 F612 L634	L584-S588 WeakPolarHBondContact O-CB 3.23Å; L584-S588 PolarHBondContact O-N 2.87Å; L584-S588 PolarHBondContact O-OG 3.11Å; L584-S588 VanDerWaalsContact O-OG 3.06Å; S588-L591 PolarHBondContact O-N 3.17Å; S588-F592 WeakPolarHBondContact O-CB 3.44Å; S588-F592 VanDerWaalsContact O-CD2 3.24Å; S588-F592 WeakPolarHBondContact O-CD2 3.36Å; S588-F592 PolarHBondContact O-N 3.44Å; S588-F612 VanDerWaalsContact OG-CD1 3.23Å; S588-F612 WeakPolarHBondContact OG-CD1 3.46Å; S588-F612 WeakPolarHBondContact OG-CE1 3.22Å; S588-L634 VanDerWaalsContact OG-CD2 3.24Å; S588-L634 WeakPolarHBondContact OG-CD2 3.24Å
589	Y	96.5	Very high	91.9	Very high	32 Å²	32	27 Å²	27	13%	0.125	13%	0.128	C	C	.	.	H	α-helix	trans	-58	-51.6	175.5	177.4	-92	0	0	0	111.9	V551 S585 V587 L591 F592 E593 F598 V605 M609	V551-Y589 HydrophobicContact CG1-CD1 4.31Å; V551-Y589 HydrophobicContact CG1-CE1 4.15Å; V551-Y589 HydrophobicContact CG2-CD1 3.87Å; V551-Y589 HydrophobicContact CG2-CD2 4.33Å; V551-Y589 HydrophobicContact CG2-CE1 3.59Å; V551-Y589 HydrophobicContact CG2-CE2 4.08Å; V551-Y589 HydrophobicContact CG2-CG 4.25Å; S585-Y589 WeakPolarHBondContact O-CB 3.39Å; S585-Y589 PolarHBondContact O-N 2.81Å; V587-Y589 VanDerWaalsContact C-N 3.27Å; V587-Y589 PolarHBondContact O-N 3.49Å; Y589-L591 VanDerWaalsContact C-N 3.34Å; Y589-L591 PolarHBondContact O-N 2.99Å; Y589-F592 PolarHBondContact O-N 3.4Å; Y589-E593 HydrophobicContact CE1-CB 4.4Å; Y589-E593 WeakPolarHBondContact O-CB 3.43Å; Y589-E593 PolarHBondContact O-N 3Å; Y589-E593 PolarHBondContact OH-OE1 2.87Å; Y589-E593 VanDerWaalsContact OH-OE1 3.13Å; Y589-F598 AromaticContact CD2-CE2 3.71Å; Y589-F598 HydrophobicContact CD2-CE2 3.71Å; Y589-F598 AromaticContact CD2-CZ 3.54Å; Y589-F598 HydrophobicContact CD2-CZ 3.54Å; Y589-F598 AromaticContact CE2-CE2 3.73Å; Y589-F598 HydrophobicContact CE2-CE2 3.73Å; Y589-F598 AromaticContact CE2-CZ 3.82Å; Y589-F598 HydrophobicContact CE2-CZ 3.82Å; Y589-F598 HydrophobicContact CG-CE2 4.39Å; Y589-F598 HydrophobicContact CG-CZ 4.43Å; Y589-F598 WeakPolarHBondContact O-CE2 3.39Å; Y589-V605 HydrophobicContact CD2-CG1 4.15Å; Y589-V605 HydrophobicContact CE2-CG1 3.68Å; Y589-V605 HydrophobicContact CE2-CG2 4.31Å; Y589-M609 HydrophobicContact CD2-SD 4.1Å; Y589-M609 HydrophobicContact CG-SD 4.27Å
590	R	95.4	Very high	92.6	Very high	34 Å²	34	24.3 Å²	24.3	13%	0.128	12%	0.12	C	C	.	.	H	α-helix	trans	-65.9	-33.7	-177.3	-65.9	-56.9	-173.2	123.9	14.7	113.6	E556 M559 L562 Q586 V587 E593 D594	E556-R590 IonicContact OE1-NH1 2.73Å; E556-R590 PolarHBondContact OE1-NH1 3.41Å; E556-R590 IonicContact OE2-CZ 3.2Å; E556-R590 IonicContact OE2-NH1 2.93Å; E556-R590 PolarHBondContact OE2-NH1 3.31Å; E556-R590 IonicContact OE2-NH2 2.66Å; E556-R590 PolarHBondContact OE2-NH2 3.46Å; M559-R590 HydrophobicContact CB-CG 4.3Å; M559-R590 HydrophobicContact CG-CG 4.02Å; M559-R590 HydrophobicContact SD-CG 4.13Å; L562-R590 HydrophobicContact CD1-CB 4.17Å; Q586-R590 WeakPolarHBondContact O-CG 3.36Å; Q586-R590 PolarHBondContact O-N 3.13Å; Q586-R590 VanDerWaalsContact O-N 3.14Å; V587-R590 PolarHBondContact O-N 3.31Å; R590-E593 WeakPolarHBondContact CD-OE2 3.34Å; R590-E593 IonicContact CZ-OE2 2.92Å; R590-E593 IonicContact NE-OE2 3.99Å; R590-E593 IonicContact NH1-OE2 2.39Å; R590-E593 PolarHBondContact O-N 3.05Å; R590-D594 WeakPolarHBondContact O-CB 3.35Å; R590-D594 PolarHBondContact O-N 2.79Å
591	L	96.2	Very high	93.5	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-72.4	-34.5	176	-60.6	-176.7	0	0	0	112.3	L562 V587 S588 Y589 T595 L634 W638	L562-L591 HydrophobicContact CD1-CD2 3.98Å; L562-L591 HydrophobicContact CD2-CD2 4.43Å; V587-L591 HydrophobicContact CG1-CD1 3.79Å; V587-L591 HydrophobicContact CG1-CG 4.06Å; V587-L591 WeakPolarHBondContact O-CG 3.45Å; V587-L591 PolarHBondContact O-N 3.02Å; S588-L591 PolarHBondContact O-N 3.17Å; Y589-L591 VanDerWaalsContact C-N 3.34Å; Y589-L591 PolarHBondContact O-N 2.99Å; L591-T595 WeakPolarHBondContact O-CB 3.38Å; L591-T595 WeakPolarHBondContact O-CG2 3.49Å; L591-T595 PolarHBondContact O-N 2.87Å; L591-T595 PolarHBondContact O-OG1 3.09Å; L591-L634 HydrophobicContact CD1-CD1 4.02Å; L591-L634 HydrophobicContact CD1-CD2 4.28Å; L591-L634 HydrophobicContact CD1-CG 3.77Å; L591-W638 HydrophobicContact CD1-CB 3.91Å; L591-W638 HydrophobicContact CD1-CG 4.1Å; L591-W638 HydrophobicContact CD2-CB 4.38Å; L591-W638 HydrophobicContact CD2-CD2 3.52Å; L591-W638 HydrophobicContact CD2-CE3 4Å; L591-W638 HydrophobicContact CD2-CG 3.68Å; L591-W638 HydrophobicContact CD2-CZ2 4.28Å; L591-W638 HydrophobicContact CG-CG 4.31Å
592	F	96.5	Very high	94.5	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-73.1	-29.6	172.9	-86	-119.1	0	0	0	112.8	S588 Y589 G596 L597 F598 I603 F608 M700 V704	S588-F592 WeakPolarHBondContact O-CB 3.44Å; S588-F592 VanDerWaalsContact O-CD2 3.24Å; S588-F592 WeakPolarHBondContact O-CD2 3.36Å; S588-F592 PolarHBondContact O-N 3.44Å; Y589-F592 PolarHBondContact O-N 3.4Å; F592-G596 PolarHBondContact O-N 3.15Å; F592-L597 HydrophobicContact CB-CB 4.27Å; F592-L597 HydrophobicContact CD1-CB 3.53Å; F592-L597 HydrophobicContact CD1-CD1 3.91Å; F592-L597 HydrophobicContact CD1-CG 4.37Å; F592-L597 HydrophobicContact CD2-CD1 4.13Å; F592-L597 HydrophobicContact CE1-CB 4.04Å; F592-L597 HydrophobicContact CE1-CD1 3.87Å; F592-L597 HydrophobicContact CE2-CD1 4.1Å; F592-L597 HydrophobicContact CG-CB 4.02Å; F592-L597 HydrophobicContact CG-CD1 4.04Å; F592-L597 HydrophobicContact CZ-CD1 3.96Å; F592-L597 PolarHBondContact O-N 3.29Å; F592-L597 VanDerWaalsContact O-N 3.08Å; F592-F598 HydrophobicContact CB-CD2 3.76Å; F592-F598 HydrophobicContact CB-CE1 4.42Å; F592-F598 HydrophobicContact CB-CE2 3.39Å; F592-F598 HydrophobicContact CB-CG 4.42Å; F592-F598 HydrophobicContact CB-CZ 3.74Å; F592-I603 HydrophobicContact CD1-CD1 3.89Å; F592-I603 HydrophobicContact CE1-CD1 3.77Å; F592-F608 HydrophobicContact CB-CE2 4.39Å; F592-F608 HydrophobicContact CB-CZ 4.19Å; F592-F608 HydrophobicContact CD1-CD2 4.34Å; F592-F608 AromaticContact CD1-CE2 3.52Å; F592-F608 HydrophobicContact CD1-CE2 3.52Å; F592-F608 HydrophobicContact CD1-CZ 4.13Å; F592-F608 AromaticContact CD2-CE2 3.99Å; F592-F608 HydrophobicContact CD2-CE2 3.99Å; F592-F608 AromaticContact CD2-CZ 3.92Å; F592-F608 HydrophobicContact CD2-CZ 3.92Å; F592-F608 HydrophobicContact CE1-CD2 4.47Å; F592-F608 AromaticContact CE1-CE2 3.68Å; F592-F608 HydrophobicContact CE1-CE2 3.68Å; F592-F608 HydrophobicContact CE2-CE2 4.12Å; F592-F608 HydrophobicContact CE2-CZ 4.34Å; F592-F608 AromaticContact CG-CE2 3.7Å; F592-F608 HydrophobicContact CG-CE2 3.7Å; F592-F608 AromaticContact CG-CZ 3.81Å; F592-F608 HydrophobicContact CG-CZ 3.81Å; F592-F608 AromaticContact CZ-CE2 3.98Å; F592-F608 HydrophobicContact CZ-CE2 3.98Å; F592-M700 HydrophobicContact CE1-CG 3.78Å; F592-M700 HydrophobicContact CE1-SD 3.91Å; F592-M700 HydrophobicContact CZ-CG 3.75Å; F592-M700 HydrophobicContact CZ-SD 4.47Å; F592-V704 HydrophobicContact CE2-CG2 4.49Å; F592-V704 HydrophobicContact CZ-CG2 3.78Å
593	E	93.8	Very high	95.1	Very high	69 Å²	69	24.2 Å²	24.2	32%	0.322	12%	0.115	S	C	.	.	H	α-helix	trans	-70.8	-47	172.8	-179.9	175.4	-114.8	0	0	111.6	Y589 R590 G596 F598 K678	Y589-E593 HydrophobicContact CE1-CB 4.4Å; Y589-E593 WeakPolarHBondContact O-CB 3.43Å; Y589-E593 PolarHBondContact O-N 3Å; Y589-E593 PolarHBondContact OH-OE1 2.87Å; Y589-E593 VanDerWaalsContact OH-OE1 3.13Å; R590-E593 WeakPolarHBondContact CD-OE2 3.34Å; R590-E593 IonicContact CZ-OE2 2.92Å; R590-E593 IonicContact NE-OE2 3.99Å; R590-E593 IonicContact NH1-OE2 2.39Å; R590-E593 PolarHBondContact O-N 3.05Å; E593-G596 PolarHBondContact O-N 3.12Å; E593-F598 HydrophobicContact CB-CD2 4.4Å; E593-F598 HydrophobicContact CB-CE2 4.36Å; E593-K678 WeakPolarHBondContact O-CD 3.42Å; E593-K678 WeakPolarHBondContact O-CE 3.24Å; E593-K678 PolarHBondContact O-NZ 2.95Å
594	D	91.8	Very high	95.4	Very high	17 Å²	17	26 Å²	26	9%	0.091	13%	0.126	C	C	.	.	H	α-helix	trans	-59.9	-49.9	175.4	169.2	63.3	0	0	0	112.5	R590 G596 W638 S677 K678 T679	R590-D594 WeakPolarHBondContact O-CB 3.35Å; R590-D594 PolarHBondContact O-N 2.79Å; D594-G596 VanDerWaalsContact C-N 3.27Å; D594-G596 PolarHBondContact O-N 3.35Å; D594-W638 PolarHBondContact OD2-NE1 3.33Å; D594-S677 PolarHBondContact OD1-OG 3.01Å; D594-S677 VanDerWaalsContact OD2-CB 3.31Å; D594-S677 WeakPolarHBondContact OD2-CB 3.34Å; D594-S677 PolarHBondContact OD2-OG 2.81Å; D594-K678 WeakPolarHBondContact O-CB 3.46Å; D594-K678 WeakPolarHBondContact O-CD 3.36Å; D594-K678 WeakPolarHBondContact O-CG 3.33Å; D594-K678 PolarHBondContact O-N 2.78Å; D594-K678 PolarHBondContact OD1-N 3.41Å; D594-T679 PolarHBondContact OD1-N 3.13Å
595	T	91.7	Very high	95.4	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.025	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-6.9	-176.1	55	0	0	0	0	114	L591 L597 T642 L675 Y703	L591-T595 WeakPolarHBondContact O-CB 3.38Å; L591-T595 WeakPolarHBondContact O-CG2 3.49Å; L591-T595 PolarHBondContact O-N 2.87Å; L591-T595 PolarHBondContact O-OG1 3.09Å; T595-L597 VanDerWaalsContact C-N 3.27Å; T595-L597 PolarHBondContact O-N 3.38Å; T595-L597 WeakPolarHBondContact OG1-CD1 3.17Å; T595-L597 WeakPolarHBondContact OG1-CG 3.37Å; T595-T642 HydrophobicContact CG2-CG2 4.3Å; T595-L675 WeakPolarHBondContact O-CD2 3.46Å; T595-Y703 HydrophobicContact CG2-CE2 4.19Å
596	G	93.3	Very high	95.4	Very high	9 Å²	9	32.8 Å²	32.8	9%	0.093	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	14.9	-178.4	0	0	0	0	0	114.4	F592 E593 D594 F598 E599 T600	F592-G596 PolarHBondContact O-N 3.15Å; E593-G596 PolarHBondContact O-N 3.12Å; D594-G596 VanDerWaalsContact C-N 3.27Å; D594-G596 PolarHBondContact O-N 3.35Å; G596-F598 VanDerWaalsContact C-N 3.29Å; G596-F598 PolarHBondContact O-N 3.24Å; G596-E599 PolarHBondContact O-N 3.19Å; G596-E599 VanDerWaalsContact O-N 3.1Å; G596-T600 PolarHBondContact O-N 2.92Å; G596-T600 PolarHBondContact O-OG1 3.46Å; G596-T600 VanDerWaalsContact O-OG1 3.05Å
597	L	95.8	Very high	95.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61	-35	179.8	-78.4	172.1	0	0	0	113	F592 T595 E599 T600 F601 L675 A696 M700 Y703	F592-L597 HydrophobicContact CB-CB 4.27Å; F592-L597 HydrophobicContact CD1-CB 3.53Å; F592-L597 HydrophobicContact CD1-CD1 3.91Å; F592-L597 HydrophobicContact CD1-CG 4.37Å; F592-L597 HydrophobicContact CD2-CD1 4.13Å; F592-L597 HydrophobicContact CE1-CB 4.04Å; F592-L597 HydrophobicContact CE1-CD1 3.87Å; F592-L597 HydrophobicContact CE2-CD1 4.1Å; F592-L597 HydrophobicContact CG-CB 4.02Å; F592-L597 HydrophobicContact CG-CD1 4.04Å; F592-L597 HydrophobicContact CZ-CD1 3.96Å; F592-L597 PolarHBondContact O-N 3.29Å; F592-L597 VanDerWaalsContact O-N 3.08Å; T595-L597 VanDerWaalsContact C-N 3.27Å; T595-L597 PolarHBondContact O-N 3.38Å; T595-L597 WeakPolarHBondContact OG1-CD1 3.17Å; T595-L597 WeakPolarHBondContact OG1-CG 3.37Å; L597-E599 VanDerWaalsContact C-N 3.28Å; L597-E599 PolarHBondContact O-N 3.42Å; L597-T600 PolarHBondContact O-N 2.86Å; L597-F601 HydrophobicContact CD2-CD2 3.77Å; L597-F601 HydrophobicContact CD2-CE2 3.62Å; L597-F601 PolarHBondContact O-N 2.96Å; L597-F601 VanDerWaalsContact O-N 3.11Å; L597-L675 HydrophobicContact CD1-CD1 4.39Å; L597-L675 HydrophobicContact CD2-CD1 4.02Å; L597-L675 HydrophobicContact CD2-CD2 3.8Å; L597-L675 HydrophobicContact CG-CD1 4.19Å; L597-L675 HydrophobicContact CG-CD2 4.15Å; L597-A696 HydrophobicContact CD2-CB 4.48Å; L597-M700 HydrophobicContact CD1-CB 4.15Å; L597-M700 HydrophobicContact CD1-CG 4.12Å; L597-M700 HydrophobicContact CD2-CB 3.81Å; L597-M700 HydrophobicContact CD2-CG 4.14Å; L597-M700 HydrophobicContact CD2-SD 4.17Å; L597-Y703 HydrophobicContact CD1-CD2 3.81Å; L597-Y703 HydrophobicContact CD1-CE2 4.05Å
598	F	96.3	Very high	95.6	Very high	25 Å²	25	34.4 Å²	34.4	11%	0.11	17%	0.167	C	C	.	.	H	α-helix	trans	-57.7	-41.6	173.2	-73.5	-64	0	0	0	112.4	Y589 F592 E593 G596 K602 I603 V605 F608	Y589-F598 AromaticContact CD2-CE2 3.71Å; Y589-F598 HydrophobicContact CD2-CE2 3.71Å; Y589-F598 AromaticContact CD2-CZ 3.54Å; Y589-F598 HydrophobicContact CD2-CZ 3.54Å; Y589-F598 AromaticContact CE2-CE2 3.73Å; Y589-F598 HydrophobicContact CE2-CE2 3.73Å; Y589-F598 AromaticContact CE2-CZ 3.82Å; Y589-F598 HydrophobicContact CE2-CZ 3.82Å; Y589-F598 HydrophobicContact CG-CE2 4.39Å; Y589-F598 HydrophobicContact CG-CZ 4.43Å; Y589-F598 WeakPolarHBondContact O-CE2 3.39Å; F592-F598 HydrophobicContact CB-CD2 3.76Å; F592-F598 HydrophobicContact CB-CE1 4.42Å; F592-F598 HydrophobicContact CB-CE2 3.39Å; F592-F598 HydrophobicContact CB-CG 4.42Å; F592-F598 HydrophobicContact CB-CZ 3.74Å; E593-F598 HydrophobicContact CB-CD2 4.4Å; E593-F598 HydrophobicContact CB-CE2 4.36Å; G596-F598 VanDerWaalsContact C-N 3.29Å; G596-F598 PolarHBondContact O-N 3.24Å; F598-K602 CarbonylContact O-C 3.6Å; F598-K602 WeakPolarHBondContact O-CA 3.48Å; F598-K602 PolarHBondContact O-N 3.38Å; F598-K602 VanDerWaalsContact O-N 3.09Å; F598-I603 HydrophobicContact CD1-CB 3.81Å; F598-I603 HydrophobicContact CD1-CG2 3.75Å; F598-I603 HydrophobicContact CE1-CB 4.42Å; F598-I603 HydrophobicContact CE1-CG2 3.85Å; F598-I603 PolarHBondContact O-N 3.07Å; F598-V605 HydrophobicContact CD1-CG2 3.92Å; F598-V605 HydrophobicContact CE1-CG2 3.91Å; F598-V605 HydrophobicContact CG-CG2 4.48Å; F598-V605 HydrophobicContact CZ-CG2 4.41Å; F598-F608 HydrophobicContact CE1-CB 4.17Å; F598-F608 HydrophobicContact CE1-CD1 4.02Å; F598-F608 AromaticContact CE1-CD2 3.95Å; F598-F608 HydrophobicContact CE1-CD2 3.95Å; F598-F608 HydrophobicContact CE1-CE1 4.38Å; F598-F608 HydrophobicContact CE1-CE2 4.28Å; F598-F608 AromaticContact CE1-CG 3.79Å; F598-F608 HydrophobicContact CE1-CG 3.79Å; F598-F608 HydrophobicContact CE1-CZ 4.48Å; F598-F608 AromaticContact CZ-CD1 3.85Å; F598-F608 HydrophobicContact CZ-CD1 3.85Å; F598-F608 HydrophobicContact CZ-CD2 4.3Å; F598-F608 AromaticContact CZ-CE1 3.84Å; F598-F608 HydrophobicContact CZ-CE1 3.84Å; F598-F608 HydrophobicContact CZ-CE2 4.26Å; F598-F608 HydrophobicContact CZ-CG 4.09Å; F598-F608 HydrophobicContact CZ-CZ 4.03Å
599	E	94.4	Very high	95.6	Very high	135 Å²	135	34.5 Å²	34.5	63%	0.631	17%	0.168	S	C	*	.	H	α-helix	trans	-76.8	-44.9	-178.3	-59.7	165.9	-124.5	0	0	110.4	G596 L597 F601 K602 K678	G596-E599 PolarHBondContact O-N 3.19Å; G596-E599 VanDerWaalsContact O-N 3.1Å; L597-E599 VanDerWaalsContact C-N 3.28Å; L597-E599 PolarHBondContact O-N 3.42Å; E599-F601 PolarHBondContact O-N 2.83Å; E599-K602 PolarHBondContact O-N 3.43Å; E599-K678 IonicContact OE1-NZ 2.78Å; E599-K678 PolarHBondContact OE1-NZ 2.49Å
600	T	92.4	Very high	95.5	Very high	43 Å²	43	33.2 Å²	33.2	26%	0.264	16%	0.163	S	C	.	.	H	α-helix	trans	-63.6	-41.8	-175.4	-62.7	0	0	0	0	113	G596 L597 H671 A696	G596-T600 PolarHBondContact O-N 2.92Å; G596-T600 PolarHBondContact O-OG1 3.46Å; G596-T600 VanDerWaalsContact O-OG1 3.05Å; L597-T600 PolarHBondContact O-N 2.86Å; T600-H671 PolarHBondContact O-CE1 2.81Å; T600-H671 PolarHBondContact O-ND1 3.39Å; T600-A696 HydrophobicContact CG2-CB 4.18Å
601	F	95.8	Very high	95.7	Very high	9 Å²	9	31.7 Å²	31.7	4%	0.039	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	9.9	-179.2	-63.1	-64.9	0	0	0	113.6	L597 E599 I603 H671 A696 L697 M700 L762	L597-F601 HydrophobicContact CD2-CD2 3.77Å; L597-F601 HydrophobicContact CD2-CE2 3.62Å; L597-F601 PolarHBondContact O-N 2.96Å; L597-F601 VanDerWaalsContact O-N 3.11Å; E599-F601 PolarHBondContact O-N 2.83Å; F601-I603 HydrophobicContact CB-CD1 4.15Å; F601-I603 HydrophobicContact CB-CG1 3.95Å; F601-I603 PolarHBondContact O-N 3.29Å; F601-H671 HydrophobicContact CE1-CB 4.48Å; F601-A696 HydrophobicContact CE2-CB 3.78Å; F601-A696 HydrophobicContact CZ-CB 3.8Å; F601-L697 HydrophobicContact CE1-CB 4.45Å; F601-L697 HydrophobicContact CE1-CD1 4.12Å; F601-L697 HydrophobicContact CZ-CB 3.92Å; F601-L697 HydrophobicContact CZ-CD1 4.11Å; F601-M700 HydrophobicContact CD2-CE 3.61Å; F601-M700 HydrophobicContact CD2-SD 3.55Å; F601-M700 VanDerWaalsContact CD2-SD 3.55Å; F601-M700 HydrophobicContact CE2-CB 4.43Å; F601-M700 HydrophobicContact CE2-CE 3.84Å; F601-M700 HydrophobicContact CE2-SD 4.04Å; F601-M700 HydrophobicContact CG-CE 3.99Å; F601-M700 HydrophobicContact CG-SD 4.27Å; F601-M700 HydrophobicContact CZ-CE 4.43Å; F601-L762 HydrophobicContact CB-CD2 4.16Å; F601-L762 HydrophobicContact CD1-CD2 3.47Å; F601-L762 VanDerWaalsContact CD1-CD2 3.47Å; F601-L762 HydrophobicContact CE1-CD2 4.16Å; F601-L762 HydrophobicContact CG-CD2 4.04Å
602	K	96.6	Very high	95.7	Very high	116 Å²	116	31.7 Å²	31.7	50%	0.504	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	41.8	179.4	-58.1	175	-177	172.8	0	112.4	F598 E599 P604 N761	F598-K602 CarbonylContact O-C 3.6Å; F598-K602 WeakPolarHBondContact O-CA 3.48Å; F598-K602 PolarHBondContact O-N 3.38Å; F598-K602 VanDerWaalsContact O-N 3.09Å; E599-K602 PolarHBondContact O-N 3.43Å; K602-P604 WeakPolarHBondContact O-CD 3.23Å; K602-N761 HydrophobicContact CB-CB 4.2Å; K602-N761 PolarHBondContact O-ND2 2.89Å
603	I	97.9	Very high	95.7	Very high	9 Å²	9	33 Å²	33	5%	0.046	16%	0.163	C	C	.	.			trans	-70.8	123.3	-174.4	-66.9	167.3	0	0	0	109.3	F592 F598 F601 V605 F608 M700 F758	F592-I603 HydrophobicContact CD1-CD1 3.89Å; F592-I603 HydrophobicContact CE1-CD1 3.77Å; F598-I603 HydrophobicContact CD1-CB 3.81Å; F598-I603 HydrophobicContact CD1-CG2 3.75Å; F598-I603 HydrophobicContact CE1-CB 4.42Å; F598-I603 HydrophobicContact CE1-CG2 3.85Å; F598-I603 PolarHBondContact O-N 3.07Å; F601-I603 HydrophobicContact CB-CD1 4.15Å; F601-I603 HydrophobicContact CB-CG1 3.95Å; F601-I603 PolarHBondContact O-N 3.29Å; I603-V605 PolarHBondContact O-N 3.14Å; I603-F608 HydrophobicContact CG2-CB 4Å; I603-F608 HydrophobicContact CG2-CD2 3.95Å; I603-F608 HydrophobicContact CG2-CG 4.35Å; I603-M700 HydrophobicContact CD1-SD 3.67Å; I603-F758 HydrophobicContact CD1-CD2 4.38Å; I603-F758 HydrophobicContact CG1-CD2 4.44Å; I603-F758 HydrophobicContact CG2-CB 3.99Å; I603-F758 HydrophobicContact CG2-CD2 3.76Å; I603-F758 HydrophobicContact CG2-CG 4.35Å
604	P	97.4	Very high	95.8	Very high	37 Å²	37	29.8 Å²	29.8	24%	0.24	15%	0.149	C	C	.	.			trans	-76.5	121.7	177.1	31.9	-33.3	0	0	0	110.4	K602 K606 E607 F608 F758 V760	K602-P604 WeakPolarHBondContact O-CD 3.23Å; P604-K606 VanDerWaalsContact C-N 3.31Å; P604-K606 PolarHBondContact O-N 3.38Å; P604-E607 WeakPolarHBondContact CB-OE2 3.33Å; P604-E607 HydrophobicContact CG-CB 4.23Å; P604-E607 HydrophobicContact CG-CG 4.44Å; P604-E607 PolarHBondContact O-N 3.31Å; P604-F608 PolarHBondContact O-N 3.32Å; P604-F608 VanDerWaalsContact O-N 3.13Å; P604-F758 WeakPolarHBondContact CD-O 3.34Å; P604-V760 HydrophobicContact CG-CG1 4.11Å
605	V	96.8	Very high	96.1	Very high	49 Å²	49	29 Å²	29	30%	0.297	14%	0.144	S	C	.	.	H	α-helix	trans	-61.6	-33.6	-170.6	174	0	0	0	0	113.2	L550 Y589 F598 I603 M609	L550-V605 HydrophobicContact CD1-CG1 4.34Å; Y589-V605 HydrophobicContact CD2-CG1 4.15Å; Y589-V605 HydrophobicContact CE2-CG1 3.68Å; Y589-V605 HydrophobicContact CE2-CG2 4.31Å; F598-V605 HydrophobicContact CD1-CG2 3.92Å; F598-V605 HydrophobicContact CE1-CG2 3.91Å; F598-V605 HydrophobicContact CG-CG2 4.48Å; F598-V605 HydrophobicContact CZ-CG2 4.41Å; I603-V605 PolarHBondContact O-N 3.14Å; V605-M609 HydrophobicContact CG1-CG 4.19Å; V605-M609 WeakPolarHBondContact O-CB 3.49Å; V605-M609 VanDerWaalsContact O-CG 3.27Å; V605-M609 WeakPolarHBondContact O-CG 3.43Å; V605-M609 PolarHBondContact O-N 2.79Å
606	K	96	Very high	96.3	Very high	94 Å²	94	28.8 Å²	28.8	41%	0.409	14%	0.143	S	C	.	.	H	α-helix	trans	-64	-51.9	-180	169.3	176.7	166.7	-86.4	0	111	P604 F608 M609 N610 D755	P604-K606 VanDerWaalsContact C-N 3.31Å; P604-K606 PolarHBondContact O-N 3.38Å; K606-F608 VanDerWaalsContact C-N 3.31Å; K606-F608 PolarHBondContact O-N 3.4Å; K606-M609 PolarHBondContact O-N 3.34Å; K606-N610 PolarHBondContact O-N 3.49Å; K606-N610 PolarHBondContact O-ND2 3.01Å; K606-D755 IonicContact NZ-OD2 3.59Å; K606-D755 PolarHBondContact NZ-OD2 3.08Å
607	E	97.1	Very high	96.4	Very high	39 Å²	39	30.3 Å²	30.3	18%	0.182	15%	0.153	C	C	.	.	H	α-helix	trans	-67.9	-34.6	-178.1	-68.2	57.5	-136.2	0	0	111.3	P604 Y611 D755 F758	P604-E607 WeakPolarHBondContact CB-OE2 3.33Å; P604-E607 HydrophobicContact CG-CB 4.23Å; P604-E607 HydrophobicContact CG-CG 4.44Å; P604-E607 PolarHBondContact O-N 3.31Å; E607-Y611 WeakPolarHBondContact O-CB 3.14Å; E607-Y611 PolarHBondContact O-N 3.35Å; E607-D755 VanDerWaalsContact CA-O 3.27Å; E607-D755 WeakPolarHBondContact CA-O 3.37Å; E607-F758 HydrophobicContact CB-CB 4.26Å
608	F	98.2	Very high	96.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.8	-54.8	169.7	178.7	-85.6	0	0	0	110.8	F592 F598 I603 P604 K606 N610 Y611 F612 F758	F592-F608 HydrophobicContact CB-CE2 4.39Å; F592-F608 HydrophobicContact CB-CZ 4.19Å; F592-F608 HydrophobicContact CD1-CD2 4.34Å; F592-F608 AromaticContact CD1-CE2 3.52Å; F592-F608 HydrophobicContact CD1-CE2 3.52Å; F592-F608 HydrophobicContact CD1-CZ 4.13Å; F592-F608 AromaticContact CD2-CE2 3.99Å; F592-F608 HydrophobicContact CD2-CE2 3.99Å; F592-F608 AromaticContact CD2-CZ 3.92Å; F592-F608 HydrophobicContact CD2-CZ 3.92Å; F592-F608 HydrophobicContact CE1-CD2 4.47Å; F592-F608 AromaticContact CE1-CE2 3.68Å; F592-F608 HydrophobicContact CE1-CE2 3.68Å; F592-F608 HydrophobicContact CE2-CE2 4.12Å; F592-F608 HydrophobicContact CE2-CZ 4.34Å; F592-F608 AromaticContact CG-CE2 3.7Å; F592-F608 HydrophobicContact CG-CE2 3.7Å; F592-F608 AromaticContact CG-CZ 3.81Å; F592-F608 HydrophobicContact CG-CZ 3.81Å; F592-F608 AromaticContact CZ-CE2 3.98Å; F592-F608 HydrophobicContact CZ-CE2 3.98Å; F598-F608 HydrophobicContact CE1-CB 4.17Å; F598-F608 HydrophobicContact CE1-CD1 4.02Å; F598-F608 AromaticContact CE1-CD2 3.95Å; F598-F608 HydrophobicContact CE1-CD2 3.95Å; F598-F608 HydrophobicContact CE1-CE1 4.38Å; F598-F608 HydrophobicContact CE1-CE2 4.28Å; F598-F608 AromaticContact CE1-CG 3.79Å; F598-F608 HydrophobicContact CE1-CG 3.79Å; F598-F608 HydrophobicContact CE1-CZ 4.48Å; F598-F608 AromaticContact CZ-CD1 3.85Å; F598-F608 HydrophobicContact CZ-CD1 3.85Å; F598-F608 HydrophobicContact CZ-CD2 4.3Å; F598-F608 AromaticContact CZ-CE1 3.84Å; F598-F608 HydrophobicContact CZ-CE1 3.84Å; F598-F608 HydrophobicContact CZ-CE2 4.26Å; F598-F608 HydrophobicContact CZ-CG 4.09Å; F598-F608 HydrophobicContact CZ-CZ 4.03Å; I603-F608 HydrophobicContact CG2-CB 4Å; I603-F608 HydrophobicContact CG2-CD2 3.95Å; I603-F608 HydrophobicContact CG2-CG 4.35Å; P604-F608 PolarHBondContact O-N 3.32Å; P604-F608 VanDerWaalsContact O-N 3.13Å; K606-F608 VanDerWaalsContact C-N 3.31Å; K606-F608 PolarHBondContact O-N 3.4Å; F608-N610 VanDerWaalsContact C-N 3.34Å; F608-N610 PolarHBondContact O-N 3.23Å; F608-Y611 PolarHBondContact O-N 2.89Å; F608-F612 AromaticContact CD1-CD2 4Å; F608-F612 HydrophobicContact CD1-CD2 4Å; F608-F612 HydrophobicContact CD1-CE2 4.49Å; F608-F612 AromaticContact CD2-CD2 3.88Å; F608-F612 HydrophobicContact CD2-CD2 3.88Å; F608-F612 AromaticContact CD2-CE2 3.63Å; F608-F612 HydrophobicContact CD2-CE2 3.63Å; F608-F612 AromaticContact CE1-CD2 3.84Å; F608-F612 HydrophobicContact CE1-CD2 3.84Å; F608-F612 HydrophobicContact CE1-CE2 4.18Å; F608-F612 HydrophobicContact CE1-CG 4.44Å; F608-F612 AromaticContact CE2-CD2 3.75Å; F608-F612 HydrophobicContact CE2-CD2 3.75Å; F608-F612 AromaticContact CE2-CE2 3.26Å; F608-F612 HydrophobicContact CE2-CE2 3.26Å; F608-F612 HydrophobicContact CE2-CZ 4.05Å; F608-F612 HydrophobicContact CG-CD2 4.02Å; F608-F612 HydrophobicContact CG-CE2 4.25Å; F608-F612 AromaticContact CZ-CD2 3.74Å; F608-F612 HydrophobicContact CZ-CD2 3.74Å; F608-F612 AromaticContact CZ-CE2 3.58Å; F608-F612 HydrophobicContact CZ-CE2 3.58Å; F608-F612 HydrophobicContact CZ-CG 4.49Å; F608-F612 HydrophobicContact CZ-CZ 4.19Å; F608-F612 WeakPolarHBondContact O-CD2 3.28Å; F608-F612 PolarHBondContact O-N 2.97Å; F608-F758 HydrophobicContact CB-CB 3.87Å; F608-F758 HydrophobicContact CB-CG 4.31Å; F608-F758 AromaticContact CD2-CD2 3.85Å; F608-F758 HydrophobicContact CD2-CD2 3.85Å; F608-F758 HydrophobicContact CD2-CE2 4.17Å; F608-F758 HydrophobicContact CD2-CG 4.18Å
609	M	97	Very high	96.5	Very high	2 Å²	2	30 Å²	30	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-64.4	-37.6	-178.1	-72.1	-58.4	-54.8	0	0	112.4	A546 L550 Y589 V605 K606 H613	A546-M609 HydrophobicContact CB-CB 4.05Å; L550-M609 HydrophobicContact CB-CG 4.21Å; L550-M609 HydrophobicContact CD1-CB 4.39Å; L550-M609 HydrophobicContact CD1-CG 4.38Å; L550-M609 HydrophobicContact CD2-CB 4.12Å; L550-M609 WeakPolarHBondContact O-CE 3.43Å; Y589-M609 HydrophobicContact CD2-SD 4.1Å; Y589-M609 HydrophobicContact CG-SD 4.27Å; V605-M609 HydrophobicContact CG1-CG 4.19Å; V605-M609 WeakPolarHBondContact O-CB 3.49Å; V605-M609 VanDerWaalsContact O-CG 3.27Å; V605-M609 WeakPolarHBondContact O-CG 3.43Å; V605-M609 PolarHBondContact O-N 2.79Å; K606-M609 PolarHBondContact O-N 3.34Å; M609-H613 WeakPolarHBondContact O-CB 3.03Å; M609-H613 PolarHBondContact O-N 2.97Å
610	N	96.1	Very high	96.5	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-58.5	-50.8	171.6	-69.1	-28	0	0	0	111.6	L545 A546 K606 F608 H613 A614 D755 Y756	L545-N610 HydrophobicContact CD2-CB 4.26Å; A546-N610 PolarHBondContact N-OD1 2.85Å; K606-N610 PolarHBondContact O-N 3.49Å; K606-N610 PolarHBondContact O-ND2 3.01Å; F608-N610 VanDerWaalsContact C-N 3.34Å; F608-N610 PolarHBondContact O-N 3.23Å; N610-H613 PolarHBondContact O-N 3.15Å; N610-A614 WeakPolarHBondContact O-CB 3.49Å; N610-A614 PolarHBondContact O-N 2.78Å; N610-D755 VanDerWaalsContact CB-O 3.27Å; N610-D755 WeakPolarHBondContact CB-O 3.33Å; N610-D755 PolarHBondContact ND2-O 3.09Å; N610-Y756 HydrophobicContact CB-CD1 3.8Å; N610-Y756 HydrophobicContact CB-CE1 4.1Å
611	Y	98	Very high	96.7	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.008	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-49.9	-178.6	177.7	-112.1	0	0	0	111.7	E607 F608 H613 A614 L615 M708 A746 L749 F750 Y756 F758	E607-Y611 WeakPolarHBondContact O-CB 3.14Å; E607-Y611 PolarHBondContact O-N 3.35Å; F608-Y611 PolarHBondContact O-N 2.89Å; Y611-H613 VanDerWaalsContact C-N 3.3Å; Y611-H613 PolarHBondContact O-N 3.08Å; Y611-A614 PolarHBondContact O-N 3.42Å; Y611-L615 HydrophobicContact CE1-CD2 4.2Å; Y611-L615 VanDerWaalsContact O-CB 3.28Å; Y611-L615 WeakPolarHBondContact O-CB 3.45Å; Y611-L615 PolarHBondContact O-N 2.88Å; Y611-M708 HydrophobicContact CE1-CE 4.26Å; Y611-M708 VanDerWaalsContact OH-CE 3.23Å; Y611-M708 WeakPolarHBondContact OH-CE 3.32Å; Y611-A746 PolarHBondContact OH-O 3.48Å; Y611-L749 HydrophobicContact CD2-CD2 4.47Å; Y611-L749 HydrophobicContact CD2-CG 4.41Å; Y611-L749 HydrophobicContact CE2-CB 4.41Å; Y611-L749 HydrophobicContact CE2-CD2 4.03Å; Y611-L749 HydrophobicContact CE2-CG 4.02Å; Y611-F750 HydrophobicContact CD1-CD2 4.45Å; Y611-F750 HydrophobicContact CD2-CB 4.19Å; Y611-F750 HydrophobicContact CD2-CD2 4.09Å; Y611-F750 HydrophobicContact CE1-CD2 4.41Å; Y611-F750 HydrophobicContact CE2-CB 3.55Å; Y611-F750 HydrophobicContact CE2-CD2 4.07Å; Y611-F750 HydrophobicContact CE2-CG 4.33Å; Y611-F750 HydrophobicContact CG-CD2 4.27Å; Y611-Y756 HydrophobicContact CD2-CG 4.33Å; Y611-F758 AromaticContact CD1-CD1 3.92Å; Y611-F758 HydrophobicContact CD1-CD1 3.92Å; Y611-F758 AromaticContact CD1-CE1 3.45Å; Y611-F758 HydrophobicContact CD1-CE1 3.45Å; Y611-F758 VanDerWaalsContact CD1-CE1 3.45Å; Y611-F758 HydrophobicContact CD1-CZ 4.49Å; Y611-F758 AromaticContact CE1-CE1 3.93Å; Y611-F758 HydrophobicContact CE1-CE1 3.93Å; Y611-F758 HydrophobicContact CG-CD1 4.21Å; Y611-F758 HydrophobicContact CG-CE1 4.15Å
612	F	97.8	Very high	96.7	Very high	1 Å²	1	34 Å²	34	0%	0.004	17%	0.174	C	C	.	.	H	α-helix	trans	-67.5	-29.7	-179.4	-82	-86.9	0	0	0	112.9	S588 F608 L615 E616 V704 A707 F758	S588-F612 VanDerWaalsContact OG-CD1 3.23Å; S588-F612 WeakPolarHBondContact OG-CD1 3.46Å; S588-F612 WeakPolarHBondContact OG-CE1 3.22Å; F608-F612 AromaticContact CD1-CD2 4Å; F608-F612 HydrophobicContact CD1-CD2 4Å; F608-F612 HydrophobicContact CD1-CE2 4.49Å; F608-F612 AromaticContact CD2-CD2 3.88Å; F608-F612 HydrophobicContact CD2-CD2 3.88Å; F608-F612 AromaticContact CD2-CE2 3.63Å; F608-F612 HydrophobicContact CD2-CE2 3.63Å; F608-F612 AromaticContact CE1-CD2 3.84Å; F608-F612 HydrophobicContact CE1-CD2 3.84Å; F608-F612 HydrophobicContact CE1-CE2 4.18Å; F608-F612 HydrophobicContact CE1-CG 4.44Å; F608-F612 AromaticContact CE2-CD2 3.75Å; F608-F612 HydrophobicContact CE2-CD2 3.75Å; F608-F612 AromaticContact CE2-CE2 3.26Å; F608-F612 HydrophobicContact CE2-CE2 3.26Å; F608-F612 HydrophobicContact CE2-CZ 4.05Å; F608-F612 HydrophobicContact CG-CD2 4.02Å; F608-F612 HydrophobicContact CG-CE2 4.25Å; F608-F612 AromaticContact CZ-CD2 3.74Å; F608-F612 HydrophobicContact CZ-CD2 3.74Å; F608-F612 AromaticContact CZ-CE2 3.58Å; F608-F612 HydrophobicContact CZ-CE2 3.58Å; F608-F612 HydrophobicContact CZ-CG 4.49Å; F608-F612 HydrophobicContact CZ-CZ 4.19Å; F608-F612 WeakPolarHBondContact O-CD2 3.28Å; F608-F612 PolarHBondContact O-N 2.97Å; F612-L615 HydrophobicContact CD1-CD2 4.05Å; F612-L615 HydrophobicContact CE1-CD2 4.25Å; F612-E616 WeakPolarHBondContact O-CB 3.32Å; F612-E616 PolarHBondContact O-N 3.08Å; F612-V704 HydrophobicContact CZ-CG2 4.25Å; F612-A707 HydrophobicContact CD1-CB 4.37Å; F612-A707 HydrophobicContact CE1-CB 3.61Å; F612-F758 HydrophobicContact CE2-CE1 4.23Å; F612-F758 HydrophobicContact CE2-CZ 4.12Å
613	H	95.6	Very high	96.7	Very high	28 Å²	28	30.4 Å²	30.4	13%	0.13	16%	0.162	C	C	.	.	H	α-helix	trans	-67.8	-44.1	172	-174.5	106.3	0	0	0	111.9	A546 G581 M609 N610 Y611 E616 S617	A546-H613 HydrophobicContact CB-CB 4.13Å; G581-H613 VanDerWaalsContact CA-ND1 3.26Å; G581-H613 WeakPolarHBondContact CA-ND1 3.3Å; M609-H613 WeakPolarHBondContact O-CB 3.03Å; M609-H613 PolarHBondContact O-N 2.97Å; N610-H613 PolarHBondContact O-N 3.15Å; Y611-H613 VanDerWaalsContact C-N 3.3Å; Y611-H613 PolarHBondContact O-N 3.08Å; H613-E616 PolarHBondContact O-N 2.97Å; H613-S617 PolarHBondContact O-N 2.94Å; H613-S617 VanDerWaalsContact O-N 3.11Å; H613-S617 PolarHBondContact O-OG 3.01Å
614	A	96.3	Very high	96.7	Very high	2 Å²	2	30.6 Å²	30.6	2%	0.017	16%	0.162	C	C	.	.	H	α-helix	trans	-66.9	-37.2	174.6	0	0	0	0	0	112.1	I544 N610 Y611 S617 G618 L749 Y756	I544-A614 HydrophobicContact CB-CB 4.16Å; N610-A614 WeakPolarHBondContact O-CB 3.49Å; N610-A614 PolarHBondContact O-N 2.78Å; Y611-A614 PolarHBondContact O-N 3.42Å; A614-S617 VanDerWaalsContact O-CB 3.26Å; A614-S617 WeakPolarHBondContact O-CB 3.31Å; A614-S617 PolarHBondContact O-N 2.86Å; A614-S617 VanDerWaalsContact O-N 3.13Å; A614-G618 PolarHBondContact O-N 3.47Å; A614-L749 HydrophobicContact CB-CD1 4.11Å; A614-L749 HydrophobicContact CB-CD2 4.07Å; A614-Y756 HydrophobicContact CB-CE1 3.8Å
615	L	97.6	Very high	96.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.6	-48.3	174.5	-169.7	74.3	0	0	0	110.9	L584 Y611 F612 S617 G618 Y619 A707 M708 Y711 A746 L749	L584-L615 HydrophobicContact CD2-CD2 4.35Å; Y611-L615 HydrophobicContact CE1-CD2 4.2Å; Y611-L615 VanDerWaalsContact O-CB 3.28Å; Y611-L615 WeakPolarHBondContact O-CB 3.45Å; Y611-L615 PolarHBondContact O-N 2.88Å; F612-L615 HydrophobicContact CD1-CD2 4.05Å; F612-L615 HydrophobicContact CE1-CD2 4.25Å; L615-S617 PolarHBondContact O-N 2.87Å; L615-S617 VanDerWaalsContact O-N 3.15Å; L615-G618 PolarHBondContact O-N 3.19Å; L615-Y619 WeakPolarHBondContact O-CD2 3.46Å; L615-Y619 PolarHBondContact O-N 2.9Å; L615-A707 HydrophobicContact CD2-CB 4.34Å; L615-A707 WeakPolarHBondContact CD2-O 3.37Å; L615-M708 HydrophobicContact CD1-CB 3.9Å; L615-M708 HydrophobicContact CD2-CB 4.12Å; L615-Y711 HydrophobicContact CD1-CD2 3.43Å; L615-Y711 VanDerWaalsContact CD1-CD2 3.43Å; L615-Y711 HydrophobicContact CD1-CE2 3.88Å; L615-Y711 HydrophobicContact CD1-CG 4Å; L615-Y711 HydrophobicContact CG-CD2 4.1Å; L615-Y711 WeakPolarHBondContact O-CE2 3.47Å; L615-A746 HydrophobicContact CD1-CB 3.96Å; L615-L749 HydrophobicContact CB-CD2 4.29Å; L615-L749 HydrophobicContact CD1-CD2 4.28Å
616	E	96.9	Very high	96.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.7	-19.4	174.3	-168.2	178	156.5	0	0	113	C580 G581 R582 I583 L584 S585 F612 H613 R627	C580-E616 PolarHBondContact SG-O 3.32Å; G581-E616 WeakPolarHBondContact CA-OE2 3.33Å; G581-E616 PolarHBondContact N-OE1 3.08Å; G581-E616 PolarHBondContact N-OE2 3.13Å; R582-E616 PolarHBondContact N-OE1 3.27Å; R582-E616 PolarHBondContact N-OE2 3.11Å; I583-E616 PolarHBondContact N-OE1 3.4Å; L584-E616 HydrophobicContact CB-CB 4.19Å; L584-E616 HydrophobicContact CB-CG 3.88Å; L584-E616 HydrophobicContact CD2-CB 4.33Å; L584-E616 PolarHBondContact N-OE2 2.88Å; S585-E616 VanDerWaalsContact CB-OE2 3.28Å; S585-E616 WeakPolarHBondContact CB-OE2 3.32Å; S585-E616 PolarHBondContact N-OE2 3.16Å; S585-E616 PolarHBondContact OG-OE2 3.46Å; F612-E616 WeakPolarHBondContact O-CB 3.32Å; F612-E616 PolarHBondContact O-N 3.08Å; H613-E616 PolarHBondContact O-N 2.97Å; E616-R627 HydrophobicContact CG-CB 3.98Å; E616-R627 HydrophobicContact CG-CG 4.38Å; E616-R627 PolarHBondContact O-NE 2.94Å
617	S	94.9	Very high	96.9	Very high	42 Å²	42	25.5 Å²	25.5	29%	0.294	13%	0.132	S	C	.	.	H	α-helix	trans	-82.1	-34.6	176.7	-57.2	0	0	0	0	113.1	C580 H613 A614 L615	C580-S617 WeakPolarHBondContact SG-CA 3.4Å; C580-S617 PolarHBondContact SG-N 2.68Å; C580-S617 PolarHBondContact SG-OG 3.24Å; H613-S617 PolarHBondContact O-N 2.94Å; H613-S617 VanDerWaalsContact O-N 3.11Å; H613-S617 PolarHBondContact O-OG 3.01Å; A614-S617 VanDerWaalsContact O-CB 3.26Å; A614-S617 WeakPolarHBondContact O-CB 3.31Å; A614-S617 PolarHBondContact O-N 2.86Å; A614-S617 VanDerWaalsContact O-N 3.13Å; L615-S617 PolarHBondContact O-N 2.87Å; L615-S617 VanDerWaalsContact O-N 3.15Å
618	G	95.8	Very high	96.9	Very high	18 Å²	18	24.5 Å²	24.5	19%	0.186	13%	0.128	C	C	.	.	H	α-helix	trans	-80.4	-12.7	178.8	0	0	0	0	0	114.6	A614 L615 R620 D712	A614-G618 PolarHBondContact O-N 3.47Å; L615-G618 PolarHBondContact O-N 3.19Å; G618-R620 PolarHBondContact O-N 3.36Å; G618-D712 WeakPolarHBondContact O-CA 3.39Å
619	Y	97.6	Very high	96.9	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	13%	0.128	C	C	.	.	S	Bend	trans	-64.8	124	164.8	-87.1	-81.3	0	0	0	110.7	L584 L615 N626 R627 A630 A707 D710 Y711	L584-Y619 HydrophobicContact CD2-CD2 4.33Å; L584-Y619 HydrophobicContact CD2-CE2 4.1Å; L615-Y619 WeakPolarHBondContact O-CD2 3.46Å; L615-Y619 PolarHBondContact O-N 2.9Å; Y619-N626 VanDerWaalsContact CD1-C 3.46Å; Y619-R627 HydrophobicContact CD2-CB 4.5Å; Y619-R627 HydrophobicContact CG-CB 4.18Å; Y619-R627 PolarHBondContact O-NH2 3.32Å; Y619-A630 HydrophobicContact CE1-CB 3.77Å; Y619-A630 HydrophobicContact CE2-CB 3.94Å; Y619-A630 VanDerWaalsContact CZ-CB 3.41Å; Y619-A630 WeakPolarHBondContact OH-CB 3.33Å; Y619-A707 PolarHBondContact OH-O 3.36Å; Y619-D710 HydrophobicContact CE1-CB 3.61Å; Y619-D710 WeakPolarHBondContact CE1-O 3.48Å; Y619-D710 PolarHBondContact OH-N 3.08Å; Y619-Y711 HydrophobicContact CD2-CD2 4.36Å; Y619-Y711 HydrophobicContact CE2-CD2 4.34Å; Y619-Y711 PolarHBondContact OH-N 2.92Å
620	R	95.8	Very high	97	Very high	95 Å²	95	24.4 Å²	24.4	36%	0.358	13%	0.128	S	C	.	.			trans	-72.6	159.4	-178	-56.3	-165.6	-172.2	172.7	7.1	111.9	G618 I622 N626 D712 H713	G618-R620 PolarHBondContact O-N 3.36Å; R620-I622 VanDerWaalsContact C-N 3.3Å; R620-I622 HydrophobicContact CB-CD1 4.48Å; R620-I622 HydrophobicContact CB-CG1 4.27Å; R620-I622 HydrophobicContact CB-CG2 4.13Å; R620-I622 PolarHBondContact O-N 3.24Å; R620-I622 VanDerWaalsContact O-N 3.17Å; R620-N626 WeakPolarHBondContact O-CB 3.33Å; R620-D712 IonicContact CZ-OD1 3.46Å; R620-D712 IonicContact NE-OD1 3.49Å; R620-D712 PolarHBondContact NE-OD1 3.15Å; R620-D712 IonicContact NH2-OD1 2.78Å; R620-D712 PolarHBondContact NH2-OD1 2.93Å; R620-D712 IonicContact NH2-OD2 3.49Å; R620-D712 PolarHBondContact NH2-OD2 3.3Å; R620-H713 VanDerWaalsContact CD-O 3.25Å; R620-H713 WeakPolarHBondContact CD-O 3.33Å
621	D	95	Very high	97.1	Very high	150 Å²	150	24.2 Å²	24.2	80%	0.802	13%	0.127	S	C	*	.	S	Bend	trans	-88.9	70.1	177.3	-145.9	51.1	0	0	0	109.5	R627	D621-R627 IonicContact OD1-NH1 3.3Å; D621-R627 PolarHBondContact OD1-NH1 2.81Å
622	I	96.5	Very high	97.1	Very high	26 Å²	26	24.1 Å²	24.1	13%	0.133	13%	0.126	C	C	.	.			trans	-120.7	158.3	-176.3	55.8	173.4	0	0	0	111.4	R620 Y624 H625 N626 H713	R620-I622 VanDerWaalsContact C-N 3.3Å; R620-I622 HydrophobicContact CB-CD1 4.48Å; R620-I622 HydrophobicContact CB-CG1 4.27Å; R620-I622 HydrophobicContact CB-CG2 4.13Å; R620-I622 PolarHBondContact O-N 3.24Å; R620-I622 VanDerWaalsContact O-N 3.17Å; I622-Y624 PolarHBondContact O-N 3.03Å; I622-H625 HydrophobicContact CD1-CB 4.06Å; I622-H625 WeakPolarHBondContact CD1-O 3.49Å; I622-N626 HydrophobicContact CG1-CB 4.46Å; I622-N626 PolarHBondContact O-ND2 3.47Å; I622-H713 HydrophobicContact CD1-CB 4.31Å; I622-H713 WeakPolarHBondContact CD1-O 3.3Å
623	P	97.3	Very high	97.2	Very high	40 Å²	40	24 Å²	24	26%	0.26	13%	0.126	S	C	.	.	S	Bend	trans	-63	-31.5	-165.5	-25.1	35.1	0	0	0	116.4	G842 N845 E846	P623-G842 WeakPolarHBondContact CB-O 3.09Å; P623-G842 WeakPolarHBondContact O-CA 3.27Å; P623-N845 HydrophobicContact CB-CB 3.92Å; P623-N845 HydrophobicContact CG-CB 4.15Å; P623-E846 HydrophobicContact CB-CB 4.12Å; P623-E846 HydrophobicContact CG-CB 4.19Å
624	Y	98.3	Very high	97.4	Very high	13 Å²	13	22.7 Å²	22.7	5%	0.051	12%	0.12	C	C	.	.	S	Bend	trans	-121.2	-63.8	-179.7	-174.2	-104.6	0	0	0	114.3	I622 N626 H629 W839 I843 E846	I622-Y624 PolarHBondContact O-N 3.03Å; Y624-N626 PolarHBondContact O-N 3.02Å; Y624-N626 PolarHBondContact O-ND2 3.04Å; Y624-H629 AromaticContact CE1-ND1 3.79Å; Y624-H629 AromaticContact CE1-NE2 3.94Å; Y624-H629 AromaticContact CE2-CE1 3.77Å; Y624-H629 AromaticContact CZ-CE1 3.37Å; Y624-H629 AromaticContact CZ-ND1 3.49Å; Y624-H629 AromaticContact CZ-NE2 3.71Å; Y624-H629 VanDerWaalsContact O-CB 3.23Å; Y624-H629 WeakPolarHBondContact O-CB 3.43Å; Y624-H629 PolarHBondContact OH-CE1 3.28Å; Y624-H629 PolarHBondContact OH-ND1 2.91Å; Y624-H629 PolarHBondContact OH-NE2 2.94Å; Y624-W839 AromaticContact CD2-CE3 3.67Å; Y624-W839 HydrophobicContact CD2-CE3 3.67Å; Y624-W839 HydrophobicContact CD2-CZ3 4.22Å; Y624-W839 HydrophobicContact CE2-CB 4.23Å; Y624-W839 HydrophobicContact CE2-CD2 4.06Å; Y624-W839 AromaticContact CE2-CE3 3.48Å; Y624-W839 HydrophobicContact CE2-CE3 3.48Å; Y624-W839 VanDerWaalsContact CE2-CE3 3.48Å; Y624-W839 HydrophobicContact CE2-CG 4.4Å; Y624-W839 HydrophobicContact CE2-CZ3 4.21Å; Y624-I843 HydrophobicContact CD1-CG1 4.05Å; Y624-I843 HydrophobicContact CD2-CD1 4.21Å; Y624-I843 HydrophobicContact CD2-CG1 3.38Å; Y624-I843 HydrophobicContact CE1-CG1 4.17Å; Y624-I843 HydrophobicContact CE2-CD1 3.82Å; Y624-I843 HydrophobicContact CE2-CG1 3.51Å; Y624-I843 HydrophobicContact CG-CG1 3.66Å; Y624-E846 WeakPolarHBondContact CA-OE2 3.32Å; Y624-E846 PolarHBondContact N-OE2 3.16Å
625	H	98.5	Very high	97.5	Very high	35 Å²	35	22.6 Å²	22.6	16%	0.162	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	62.8	-168.4	-55.9	92.9	0	0	0	111.9	I622 D710 H713 E846	I622-H625 HydrophobicContact CD1-CB 4.06Å; I622-H625 WeakPolarHBondContact CD1-O 3.49Å; H625-D710 WeakPolarHBondContact CB-OD2 3.32Å; H625-D710 IonicContact CD2-OD2 3.18Å; H625-D710 PolarHBondContact CD2-OD2 3.06Å; H625-D710 IonicContact CG-OD2 2.72Å; H625-H713 HydrophobicContact CB-CB 3.74Å; H625-H713 VanDerWaalsContact CB-CG 3.46Å; H625-H713 WeakPolarHBondContact CB-ND1 3.43Å; H625-H713 AromaticContact CE1-CE1 3.71Å; H625-H713 AromaticContact CG-CE1 3.53Å; H625-H713 AromaticContact CG-CG 3.85Å; H625-H713 AromaticContact CG-ND1 3.43Å; H625-H713 AromaticContact ND1-CE1 3.27Å; H625-H713 PolarHBondContact ND1-CE1 3.04Å; H625-H713 VanDerWaalsContact ND1-CE1 3.27Å; H625-H713 AromaticContact ND1-ND1 3.49Å; H625-H713 PolarHBondContact ND1-ND1 3.06Å; H625-E846 IonicContact CE1-OE1 3.4Å; H625-E846 PolarHBondContact CE1-OE1 3.26Å; H625-E846 IonicContact CG-OE1 2.67Å; H625-E846 PolarHBondContact N-OE2 3.19Å; H625-E846 VanDerWaalsContact N-OE2 3.16Å; H625-E846 IonicContact ND1-OE1 3.95Å; H625-E846 PolarHBondContact ND1-OE1 2.93Å; H625-E846 IonicContact ND1-OE2 2.76Å
626	N	97.1	Very high	97.5	Very high	13 Å²	13	22.6 Å²	22.6	7%	0.07	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-179.2	-171.7	67.4	52.3	0	0	0	111.5	Y619 R620 I622 Y624 I628 H629 A630	Y619-N626 VanDerWaalsContact CD1-C 3.46Å; R620-N626 WeakPolarHBondContact O-CB 3.33Å; I622-N626 HydrophobicContact CG1-CB 4.46Å; I622-N626 PolarHBondContact O-ND2 3.47Å; Y624-N626 PolarHBondContact O-N 3.02Å; Y624-N626 PolarHBondContact O-ND2 3.04Å; N626-I628 PolarHBondContact O-N 3.02Å; N626-I628 WeakPolarHBondContact OD1-CA 3.3Å; N626-I628 WeakPolarHBondContact OD1-CB 3.47Å; N626-I628 VanDerWaalsContact OD1-CG1 3.31Å; N626-I628 WeakPolarHBondContact OD1-CG1 3.39Å; N626-I628 PolarHBondContact OD1-N 3.28Å; N626-H629 PolarHBondContact O-N 3.14Å; N626-H629 PolarHBondContact OD1-N 3Å; N626-A630 PolarHBondContact O-N 3.11Å; N626-A630 VanDerWaalsContact O-N 3.11Å
627	R	97	Very high	97.6	Very high	24 Å²	24	22.6 Å²	22.6	9%	0.091	12%	0.119	C	C	.	.	H	α-helix	trans	-57.3	-24.2	-177.7	67.2	-172.5	66.6	82.2	8.9	114.7	E616 Y619 D621 T631	E616-R627 HydrophobicContact CG-CB 3.98Å; E616-R627 HydrophobicContact CG-CG 4.38Å; E616-R627 PolarHBondContact O-NE 2.94Å; Y619-R627 HydrophobicContact CD2-CB 4.5Å; Y619-R627 HydrophobicContact CG-CB 4.18Å; Y619-R627 PolarHBondContact O-NH2 3.32Å; D621-R627 IonicContact OD1-NH1 3.3Å; D621-R627 PolarHBondContact OD1-NH1 2.81Å; R627-T631 WeakPolarHBondContact O-CB 3.4Å; R627-T631 PolarHBondContact O-N 3.39Å; R627-T631 PolarHBondContact O-OG1 3.33Å
628	I	97.8	Very high	97.8	Very high	18 Å²	18	20.8 Å²	20.8	9%	0.092	11%	0.106	C	C	.	.	H	α-helix	trans	-76.2	-45.3	178.5	-45.4	160	0	0	0	109	I569 M573 I583 N626 T631 D632 W839	I569-I628 HydrophobicContact CD1-CG2 3.85Å; I569-I628 VanDerWaalsContact CD1-O 3.28Å; I569-I628 WeakPolarHBondContact CD1-O 3.4Å; I569-I628 HydrophobicContact CG1-CG2 3.86Å; M573-I628 HydrophobicContact CB-CD1 4.37Å; M573-I628 HydrophobicContact CE-CD1 4.39Å; M573-I628 HydrophobicContact CG-CD1 3.6Å; M573-I628 HydrophobicContact CG-CG1 4.19Å; I583-I628 HydrophobicContact CD1-CG1 4.32Å; N626-I628 PolarHBondContact O-N 3.02Å; N626-I628 WeakPolarHBondContact OD1-CA 3.3Å; N626-I628 WeakPolarHBondContact OD1-CB 3.47Å; N626-I628 VanDerWaalsContact OD1-CG1 3.31Å; N626-I628 WeakPolarHBondContact OD1-CG1 3.39Å; N626-I628 PolarHBondContact OD1-N 3.28Å; I628-T631 WeakPolarHBondContact O-CB 3.26Å; I628-T631 PolarHBondContact O-N 3.1Å; I628-T631 VanDerWaalsContact O-N 3.13Å; I628-D632 PolarHBondContact O-N 3.43Å; I628-W839 HydrophobicContact CB-CH2 4.1Å; I628-W839 HydrophobicContact CG2-CH2 3.81Å; I628-W839 HydrophobicContact CG2-CZ2 4.41Å
629	H	98.6	Very high	97.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.1	-49.8	175.4	170.3	63.6	0	0	0	111	Y624 N626 T631 D632 V633 H709 D710 D825 W839	Y624-H629 AromaticContact CE1-ND1 3.79Å; Y624-H629 AromaticContact CE1-NE2 3.94Å; Y624-H629 AromaticContact CE2-CE1 3.77Å; Y624-H629 AromaticContact CZ-CE1 3.37Å; Y624-H629 AromaticContact CZ-ND1 3.49Å; Y624-H629 AromaticContact CZ-NE2 3.71Å; Y624-H629 VanDerWaalsContact O-CB 3.23Å; Y624-H629 WeakPolarHBondContact O-CB 3.43Å; Y624-H629 PolarHBondContact OH-CE1 3.28Å; Y624-H629 PolarHBondContact OH-ND1 2.91Å; Y624-H629 PolarHBondContact OH-NE2 2.94Å; N626-H629 PolarHBondContact O-N 3.14Å; N626-H629 PolarHBondContact OD1-N 3Å; H629-T631 PolarHBondContact O-N 3.36Å; H629-T631 VanDerWaalsContact O-N 3.08Å; H629-D632 WeakPolarHBondContact O-CA 3.18Å; H629-D632 WeakPolarHBondContact O-CB 3.23Å; H629-D632 PolarHBondContact O-N 2.96Å; H629-V633 WeakPolarHBondContact NE2-CG2 3.3Å; H629-V633 WeakPolarHBondContact O-CG2 3.44Å; H629-V633 PolarHBondContact O-N 2.74Å; H629-H709 AromaticContact CD2-NE2 3.86Å; H629-D710 IonicContact CD2-OD2 3.68Å; H629-D710 PolarHBondContact CD2-OD2 3.13Å; H629-D710 VanDerWaalsContact CD2-OD2 3.23Å; H629-D825 VanDerWaalsContact NE2-C 3.28Å; H629-D825 PolarHBondContact NE2-O 3.39Å; H629-D825 IonicContact NE2-OD1 3.78Å; H629-D825 PolarHBondContact NE2-OD1 2.93Å; H629-W839 HydrophobicContact CB-CH2 4.06Å; H629-W839 HydrophobicContact CB-CZ3 4.01Å
630	A	98.6	Very high	97.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-55.1	-31.5	174.7	0	0	0	0	0	113.6	L584 Y619 N626 L634	L584-A630 HydrophobicContact CD1-CB 4.36Å; L584-A630 HydrophobicContact CD2-CB 4.49Å; Y619-A630 HydrophobicContact CE1-CB 3.77Å; Y619-A630 HydrophobicContact CE2-CB 3.94Å; Y619-A630 VanDerWaalsContact CZ-CB 3.41Å; Y619-A630 WeakPolarHBondContact OH-CB 3.33Å; N626-A630 PolarHBondContact O-N 3.11Å; N626-A630 VanDerWaalsContact O-N 3.11Å; A630-L634 WeakPolarHBondContact O-CB 3.24Å; A630-L634 PolarHBondContact O-N 3.1Å; A630-L634 VanDerWaalsContact O-N 3.09Å
631	T	98.6	Very high	97.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-75.7	-35	175.3	-56.5	0	0	0	0	112.5	I569 I583 L584 V587 R627 I628 H629 H635	I569-T631 HydrophobicContact CD1-CG2 3.99Å; I583-T631 HydrophobicContact CG2-CG2 4.01Å; L584-T631 WeakPolarHBondContact CA-OG1 3.42Å; L584-T631 WeakPolarHBondContact CB-OG1 3.08Å; L584-T631 WeakPolarHBondContact CD1-OG1 3.36Å; L584-T631 PolarHBondContact N-OG1 3.06Å; V587-T631 HydrophobicContact CB-CG2 3.77Å; V587-T631 HydrophobicContact CG1-CG2 3.96Å; V587-T631 HydrophobicContact CG2-CG2 3.62Å; R627-T631 WeakPolarHBondContact O-CB 3.4Å; R627-T631 PolarHBondContact O-N 3.39Å; R627-T631 PolarHBondContact O-OG1 3.33Å; I628-T631 WeakPolarHBondContact O-CB 3.26Å; I628-T631 PolarHBondContact O-N 3.1Å; I628-T631 VanDerWaalsContact O-N 3.13Å; H629-T631 PolarHBondContact O-N 3.36Å; H629-T631 VanDerWaalsContact O-N 3.08Å; T631-H635 WeakPolarHBondContact O-CB 3.22Å; T631-H635 PolarHBondContact O-N 2.77Å
632	D	98.8	Very high	97.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-71.1	-38.8	176.3	-160.7	59.1	0	0	0	111.9	I569 I628 H629 H635 A636 N827 K831 W839	I569-D632 HydrophobicContact CD1-CB 3.67Å; I628-D632 PolarHBondContact O-N 3.43Å; H629-D632 WeakPolarHBondContact O-CA 3.18Å; H629-D632 WeakPolarHBondContact O-CB 3.23Å; H629-D632 PolarHBondContact O-N 2.96Å; D632-H635 PolarHBondContact O-N 3.39Å; D632-A636 VanDerWaalsContact O-CB 3.26Å; D632-A636 WeakPolarHBondContact O-CB 3.49Å; D632-A636 PolarHBondContact O-N 3.44Å; D632-N827 PolarHBondContact OD2-ND2 2.39Å; D632-N827 PolarHBondContact OD2-OD1 2.95Å; D632-N827 VanDerWaalsContact OD2-OD1 3.12Å; D632-K831 IonicContact OD1-NZ 3.2Å; D632-K831 PolarHBondContact OD1-NZ 3.31Å; D632-K831 IonicContact OD2-NZ 3.34Å; D632-K831 PolarHBondContact OD2-NZ 3.42Å; D632-W839 HydrophobicContact CB-CH2 4.47Å; D632-W839 HydrophobicContact CB-CZ2 3.66Å; D632-W839 PolarHBondContact OD2-NE1 3.46Å; D632-W839 VanDerWaalsContact OD2-NE1 3.16Å
633	V	98.9	Very high	97.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-65.9	-44.4	173	-177.5	0	0	0	0	110.6	H629 A636 V637 A706 I821 A824	H629-V633 WeakPolarHBondContact NE2-CG2 3.3Å; H629-V633 WeakPolarHBondContact O-CG2 3.44Å; H629-V633 PolarHBondContact O-N 2.74Å; V633-A636 PolarHBondContact O-N 3.46Å; V633-V637 PolarHBondContact O-N 3.49Å; V633-A706 HydrophobicContact CG1-CB 4.03Å; V633-I821 HydrophobicContact CG1-CG1 4.26Å; V633-A824 HydrophobicContact CG1-CB 4Å
634	L	98.9	Very high	97.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-57.9	-47.7	173.4	169	63.9	0	0	0	112.2	L584 V587 S588 L591 A630 V637 W638 Y703 A706 A707	L584-L634 HydrophobicContact CD1-CD2 3.88Å; V587-L634 HydrophobicContact CG1-CD2 4.16Å; S588-L634 VanDerWaalsContact OG-CD2 3.24Å; S588-L634 WeakPolarHBondContact OG-CD2 3.24Å; L591-L634 HydrophobicContact CD1-CD1 4.02Å; L591-L634 HydrophobicContact CD1-CD2 4.28Å; L591-L634 HydrophobicContact CD1-CG 3.77Å; A630-L634 WeakPolarHBondContact O-CB 3.24Å; A630-L634 PolarHBondContact O-N 3.1Å; A630-L634 VanDerWaalsContact O-N 3.09Å; L634-V637 VanDerWaalsContact O-CG2 3.27Å; L634-V637 WeakPolarHBondContact O-CG2 3.37Å; L634-W638 PolarHBondContact O-N 3.23Å; L634-Y703 WeakPolarHBondContact CD1-O 3.42Å; L634-A706 HydrophobicContact CB-CB 4.32Å; L634-A707 HydrophobicContact CD2-CB 4.41Å
635	H	98.6	Very high	96.9	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-60.2	-45.2	175	168.4	-105.6	0	0	0	111.4	L562 N564 F567 T631 D632 W638 Y639	L562-H635 PolarHBondContact O-NE2 2.88Å; N564-H635 PolarHBondContact O-CE1 3.32Å; N564-H635 VanDerWaalsContact O-CE1 3.25Å; N564-H635 PolarHBondContact O-NE2 3.27Å; F567-H635 VanDerWaalsContact CB-CE1 3.43Å; F567-H635 WeakPolarHBondContact CB-CE1 3.32Å; T631-H635 WeakPolarHBondContact O-CB 3.22Å; T631-H635 PolarHBondContact O-N 2.77Å; D632-H635 PolarHBondContact O-N 3.39Å; H635-W638 PolarHBondContact O-N 3.22Å; H635-Y639 WeakPolarHBondContact O-CB 3.47Å; H635-Y639 PolarHBondContact O-N 3.45Å
636	A	98.8	Very high	96.5	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-65.3	-41.6	-179.4	0	0	0	0	0	113	W565 D632 V633 Y639 L640 A824	W565-A636 HydrophobicContact CH2-CB 3.88Å; W565-A636 HydrophobicContact CZ3-CB 3.75Å; D632-A636 VanDerWaalsContact O-CB 3.26Å; D632-A636 WeakPolarHBondContact O-CB 3.49Å; D632-A636 PolarHBondContact O-N 3.44Å; V633-A636 PolarHBondContact O-N 3.46Å; A636-Y639 PolarHBondContact O-N 2.75Å; A636-L640 WeakPolarHBondContact O-CB 3.42Å; A636-L640 VanDerWaalsContact O-CG 3.23Å; A636-L640 WeakPolarHBondContact O-CG 3.46Å; A636-L640 PolarHBondContact O-N 2.77Å; A636-A824 HydrophobicContact CB-CB 3.61Å
637	V	98.7	Very high	96	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-67.1	-36.6	175.5	-64.8	0	0	0	0	112.8	V633 L634 T641 L702 Y703 A706 I821 A824	V633-V637 PolarHBondContact O-N 3.49Å; L634-V637 VanDerWaalsContact O-CG2 3.27Å; L634-V637 WeakPolarHBondContact O-CG2 3.37Å; V637-T641 WeakPolarHBondContact O-CB 3.47Å; V637-T641 WeakPolarHBondContact O-CG2 3.48Å; V637-T641 PolarHBondContact O-N 2.78Å; V637-T641 PolarHBondContact O-OG1 3.08Å; V637-L702 HydrophobicContact CB-CD2 4.26Å; V637-L702 HydrophobicContact CB-CG 4.11Å; V637-L702 HydrophobicContact CG1-CD1 4.18Å; V637-L702 HydrophobicContact CG1-CG 4.29Å; V637-L702 HydrophobicContact CG2-CG 4.41Å; V637-Y703 HydrophobicContact CG2-CD1 3.79Å; V637-Y703 HydrophobicContact CG2-CE1 4.39Å; V637-A706 HydrophobicContact CG1-CB 4.35Å; V637-A706 HydrophobicContact CG2-CB 3.64Å; V637-I821 HydrophobicContact CG1-CB 4.17Å; V637-I821 HydrophobicContact CG1-CG1 4.35Å; V637-A824 HydrophobicContact CB-CB 4.45Å; V637-A824 HydrophobicContact CG1-CB 3.41Å; V637-A824 VanDerWaalsContact CG1-CB 3.41Å
638	W	98.3	Very high	95.5	Very high	3 Å²	3	9.4 Å²	9.4	1%	0.011	6%	0.063	C	C	.	.	H	α-helix	trans	-65.9	-44	172.8	164.2	92.7	0	0	0	110.9	L562 N563 L591 D594 L634 H635 T641 T642 Y703	L562-W638 HydrophobicContact CB-CH2 4.07Å; L562-W638 HydrophobicContact CB-CZ3 4.16Å; L562-W638 VanDerWaalsContact O-CZ3 3.26Å; L562-W638 WeakPolarHBondContact O-CZ3 3.29Å; N563-W638 WeakPolarHBondContact OD1-CH2 3.45Å; L591-W638 HydrophobicContact CD1-CB 3.91Å; L591-W638 HydrophobicContact CD1-CG 4.1Å; L591-W638 HydrophobicContact CD2-CB 4.38Å; L591-W638 HydrophobicContact CD2-CD2 3.52Å; L591-W638 HydrophobicContact CD2-CE3 4Å; L591-W638 HydrophobicContact CD2-CG 3.68Å; L591-W638 HydrophobicContact CD2-CZ2 4.28Å; L591-W638 HydrophobicContact CG-CG 4.31Å; D594-W638 PolarHBondContact OD2-NE1 3.33Å; L634-W638 PolarHBondContact O-N 3.23Å; H635-W638 PolarHBondContact O-N 3.22Å; W638-T641 PolarHBondContact O-N 2.66Å; W638-T641 PolarHBondContact O-OG1 3.41Å; W638-T642 HydrophobicContact CG-CG2 4.28Å; W638-T642 WeakPolarHBondContact O-CB 3.39Å; W638-T642 WeakPolarHBondContact O-CG2 3.42Å; W638-T642 PolarHBondContact O-N 2.79Å; W638-T642 PolarHBondContact O-OG1 3.07Å; W638-Y703 HydrophobicContact CB-CE1 4.15Å
639	Y	97.4	Very high	94.7	Very high	30 Å²	30	12 Å²	12	12%	0.118	8%	0.081	C	C	.	.	H	α-helix	trans	-63.3	-49.3	179.6	-174.1	-78	0	0	0	111.3	W565 H635 A636 T641 T642 Q643 P898 I945	W565-Y639 HydrophobicContact CB-CE1 4.02Å; W565-Y639 HydrophobicContact CB-CE2 3.98Å; W565-Y639 HydrophobicContact CD2-CD1 4.37Å; W565-Y639 HydrophobicContact CD2-CE1 4.43Å; W565-Y639 AromaticContact CE3-CD1 3.44Å; W565-Y639 HydrophobicContact CE3-CD1 3.44Å; W565-Y639 VanDerWaalsContact CE3-CD1 3.44Å; W565-Y639 HydrophobicContact CE3-CD2 4.5Å; W565-Y639 AromaticContact CE3-CE1 3.91Å; W565-Y639 HydrophobicContact CE3-CE1 3.91Å; W565-Y639 AromaticContact CE3-CG 3.79Å; W565-Y639 HydrophobicContact CE3-CG 3.79Å; W565-Y639 HydrophobicContact CZ3-CD1 4.03Å; W565-Y639 HydrophobicContact CZ3-CG 4.41Å; H635-Y639 WeakPolarHBondContact O-CB 3.47Å; H635-Y639 PolarHBondContact O-N 3.45Å; A636-Y639 PolarHBondContact O-N 2.75Å; Y639-T641 PolarHBondContact O-N 2.81Å; Y639-T642 PolarHBondContact O-N 3.31Å; Y639-Q643 HydrophobicContact CD1-CB 4.39Å; Y639-Q643 HydrophobicContact CD1-CG 3.93Å; Y639-Q643 HydrophobicContact CD2-CG 3.68Å; Y639-Q643 HydrophobicContact CE1-CB 4.21Å; Y639-Q643 HydrophobicContact CE1-CG 3.97Å; Y639-Q643 HydrophobicContact CE2-CG 3.72Å; Y639-Q643 HydrophobicContact CG-CG 3.78Å; Y639-Q643 WeakPolarHBondContact O-CB 3.21Å; Y639-Q643 WeakPolarHBondContact O-CG 3.42Å; Y639-Q643 PolarHBondContact O-N 2.67Å; Y639-Q643 VanDerWaalsContact O-N 3.15Å; Y639-P898 HydrophobicContact CD1-CG 4.5Å; Y639-P898 HydrophobicContact CE1-CB 4.2Å; Y639-P898 HydrophobicContact CE1-CG 4.38Å; Y639-I945 HydrophobicContact CE1-CD1 4.48Å
640	L	97.5	Very high	93.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.9	-27.6	178.6	-71.5	170.6	0	0	0	112.9	W565 A636 L823 A824 Y891 I945	W565-L640 HydrophobicContact CH2-CD1 4.48Å; W565-L640 HydrophobicContact CH2-CD2 4.47Å; W565-L640 HydrophobicContact CH2-CG 4.39Å; W565-L640 HydrophobicContact CZ3-CD2 4.33Å; W565-L640 HydrophobicContact CZ3-CG 4.09Å; A636-L640 WeakPolarHBondContact O-CB 3.42Å; A636-L640 VanDerWaalsContact O-CG 3.23Å; A636-L640 WeakPolarHBondContact O-CG 3.46Å; A636-L640 PolarHBondContact O-N 2.77Å; L640-L823 HydrophobicContact CD1-CB 4.43Å; L640-L823 HydrophobicContact CD1-CD2 4.06Å; L640-L823 HydrophobicContact CD1-CG 4.44Å; L640-L823 HydrophobicContact CD2-CD2 4.3Å; L640-A824 HydrophobicContact CD1-CB 4.41Å; L640-Y891 HydrophobicContact CD2-CE1 4.49Å; L640-I945 HydrophobicContact CD2-CD1 3.8Å
641	T	96.4	Very high	91.3	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	13%	0.13	C	C	.	.	H	α-helix	trans	-94.4	-27	-178.6	53.6	0	0	0	0	115	V637 W638 Y639 L690 S691 L699 L702 Y703	V637-T641 WeakPolarHBondContact O-CB 3.47Å; V637-T641 WeakPolarHBondContact O-CG2 3.48Å; V637-T641 PolarHBondContact O-N 2.78Å; V637-T641 PolarHBondContact O-OG1 3.08Å; W638-T641 PolarHBondContact O-N 2.66Å; W638-T641 PolarHBondContact O-OG1 3.41Å; Y639-T641 PolarHBondContact O-N 2.81Å; T641-L690 HydrophobicContact CG2-CB 4.26Å; T641-L690 HydrophobicContact CG2-CD1 4.08Å; T641-L690 PolarHBondContact O-N 3.47Å; T641-S691 PolarHBondContact O-N 3.45Å; T641-L699 HydrophobicContact CG2-CD2 3.71Å; T641-L702 HydrophobicContact CG2-CD2 3.96Å; T641-Y703 WeakPolarHBondContact OG1-CE1 3.41Å; T641-Y703 PolarHBondContact OG1-OH 3.01Å
642	T	93.7	Very high	89.1	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-99.4	-27.1	-175	57.2	0	0	0	0	114.9	T595 W638 Y639 Y680	T595-T642 HydrophobicContact CG2-CG2 4.3Å; W638-T642 HydrophobicContact CG-CG2 4.28Å; W638-T642 WeakPolarHBondContact O-CB 3.39Å; W638-T642 WeakPolarHBondContact O-CG2 3.42Å; W638-T642 PolarHBondContact O-N 2.79Å; W638-T642 PolarHBondContact O-OG1 3.07Å; Y639-T642 PolarHBondContact O-N 3.31Å; T642-Y680 WeakPolarHBondContact O-CD2 3.32Å
643	Q	91.9	Very high	86.2	Confident	22 Å²	22	31.3 Å²	31.3	10%	0.103	19%	0.188	C	C	.	.	S	Bend	trans	-82.2	158.2	-170.8	-60.4	-60.2	-53.9	0	0	112.6	N563 Y639 V645 P898	N563-Q643 PolarHBondContact OD1-NE2 3.48Å; Y639-Q643 HydrophobicContact CD1-CB 4.39Å; Y639-Q643 HydrophobicContact CD1-CG 3.93Å; Y639-Q643 HydrophobicContact CD2-CG 3.68Å; Y639-Q643 HydrophobicContact CE1-CB 4.21Å; Y639-Q643 HydrophobicContact CE1-CG 3.97Å; Y639-Q643 HydrophobicContact CE2-CG 3.72Å; Y639-Q643 HydrophobicContact CG-CG 3.78Å; Y639-Q643 WeakPolarHBondContact O-CB 3.21Å; Y639-Q643 WeakPolarHBondContact O-CG 3.42Å; Y639-Q643 PolarHBondContact O-N 2.67Å; Y639-Q643 VanDerWaalsContact O-N 3.15Å; Q643-V645 PolarHBondContact O-N 3.07Å; Q643-P898 HydrophobicContact CB-CB 3.78Å; Q643-P898 HydrophobicContact CB-CG 4Å
644	P	90.2	Very high	83.1	Confident	39 Å²	39	37.9 Å²	37.9	25%	0.253	22%	0.223	S	C	.	.			trans	-63.8	126.7	-173.8	-22.2	33.3	0	0	0	113.7	Y680 Y687 P898 G899	P644-Y680 HydrophobicContact CB-CE2 4.41Å; P644-Y680 HydrophobicContact CG-CD2 4.32Å; P644-Y680 HydrophobicContact CG-CE2 3.92Å; P644-Y687 HydrophobicContact CB-CD1 3.85Å; P644-Y687 HydrophobicContact CB-CE1 4.44Å; P644-Y687 HydrophobicContact CB-CG 4.33Å; P644-P898 CarbonylContact O-C 3.59Å; P644-P898 VanDerWaalsContact O-CA 3.23Å; P644-P898 WeakPolarHBondContact O-CA 3.5Å; P644-G899 PolarHBondContact O-N 2.99Å
645	V	91.4	Very high	80.1	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	117.7	178.1	-174.3	0	0	0	0	109.3	Q643 G647 L648 Y687 G688 G895 P898	Q643-V645 PolarHBondContact O-N 3.07Å; V645-G647 PolarHBondContact O-N 3.09Å; V645-L648 HydrophobicContact CB-CB 3.8Å; V645-L648 HydrophobicContact CB-CD2 3.71Å; V645-L648 HydrophobicContact CB-CG 4.36Å; V645-L648 HydrophobicContact CG1-CB 3.75Å; V645-L648 HydrophobicContact CG1-CD2 4.03Å; V645-L648 HydrophobicContact CG1-CG 4.36Å; V645-L648 HydrophobicContact CG2-CD2 3.96Å; V645-Y687 WeakPolarHBondContact O-CA 3.4Å; V645-G688 PolarHBondContact N-O 2.8Å; V645-G688 PolarHBondContact O-N 3.1Å; V645-G895 WeakPolarHBondContact CG1-O 3.46Å; V645-P898 HydrophobicContact CG2-CG 4.2Å
646	P	89.9	Confident	76.9	Confident	16 Å²	16	51.5 Å²	51.5	10%	0.104	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	126.6	-178.7	-21.9	31.8	0	0	0	112.8	L648 Y687 W901 V941	P646-L648 PolarHBondContact O-N 2.94Å; P646-Y687 HydrophobicContact CB-CD1 4.39Å; P646-Y687 HydrophobicContact CB-CE1 4.25Å; P646-Y687 HydrophobicContact CG-CD1 4.26Å; P646-Y687 HydrophobicContact CG-CE1 3.93Å; P646-W901 HydrophobicContact CB-CD2 4.05Å; P646-W901 HydrophobicContact CB-CE3 4.44Å; P646-W901 HydrophobicContact CB-CH2 4.12Å; P646-W901 HydrophobicContact CB-CZ2 3.69Å; P646-W901 HydrophobicContact CB-CZ3 4.48Å; P646-V941 HydrophobicContact CB-CG2 4.03Å; P646-V941 HydrophobicContact CG-CG1 3.95Å; P646-V941 HydrophobicContact CG-CG2 4.34Å
647	G	85.3	Confident	73.9	Confident	53 Å²	53	56.6 Å²	56.6	55%	0.546	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	-3.9	174.4	0	0	0	0	0	116	V645 G686	V645-G647 PolarHBondContact O-N 3.09Å; G647-G686 PolarHBondContact N-O 2.74Å
648	L	87.5	Confident	70.8	Confident	14 Å²	14	61 Å²	61	7%	0.073	37%	0.37	C	S	.	.			trans	-65.5	141	172.9	-172	70.9	0	0	0	110.3	V645 P646 G688 L690 L693 W807 L896	V645-L648 HydrophobicContact CB-CB 3.8Å; V645-L648 HydrophobicContact CB-CD2 3.71Å; V645-L648 HydrophobicContact CB-CG 4.36Å; V645-L648 HydrophobicContact CG1-CB 3.75Å; V645-L648 HydrophobicContact CG1-CD2 4.03Å; V645-L648 HydrophobicContact CG1-CG 4.36Å; V645-L648 HydrophobicContact CG2-CD2 3.96Å; P646-L648 PolarHBondContact O-N 2.94Å; L648-G688 PolarHBondContact O-N 3.41Å; L648-L690 HydrophobicContact CD2-CD2 3.96Å; L648-L690 HydrophobicContact CD2-CG 4.44Å; L648-L693 HydrophobicContact CD1-CD1 3.76Å; L648-L693 HydrophobicContact CD2-CD1 3.88Å; L648-L693 HydrophobicContact CG-CD1 3.73Å; L648-W807 HydrophobicContact CD1-CZ2 4.22Å; L648-L896 HydrophobicContact CD1-CD2 3.96Å
649	P	80.4	Confident	67.8	Low	73 Å²	73	65.7 Å²	65.7	47%	0.474	40%	0.403	S	S	.	.			trans	-61.2	139.2	179.9	-24.4	34.9	0	0	0	113.1
650	S	68.2	Low	64.9	Low	66 Å²	66	72 Å²	72	46%	0.462	44%	0.439	S	S	.	.			trans	-101.3	106.1	168.1	-176.7	0	0	0	0	109.7	I652	S650-I652 VanDerWaalsContact C-N 3.28Å
651	L	57.3	Low	61.8	Low	111 Å²	111	76.7 Å²	76.7	58%	0.581	47%	0.472	S	S	*	.			trans	-83.5	2.4	178	-91.8	176.3	0	0	0	114	N653 L693	L651-N653 VanDerWaalsContact C-N 3.29Å; L651-N653 PolarHBondContact O-N 2.91Å; L651-L693 HydrophobicContact CB-CD2 4.16Å; L651-L693 HydrophobicContact CD1-CD2 3.72Å; L651-L693 HydrophobicContact CG-CD2 3.98Å
652	I	53.3	Low	59.2	Low	90 Å²	90	85 Å²	85	46%	0.462	52%	0.516	S	S	.	.			trans	-74.8	-13.5	-164.8	-65.7	174.9	0	0	0	113.6	S650	S650-I652 VanDerWaalsContact C-N 3.28Å
653	N	37.6	Very low	56.3	Low	139 Å²	139	89.6 Å²	89.6	74%	0.743	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	13.7	-153.8	-158.4	52.8	0	0	0	118.3	L651	L651-N653 VanDerWaalsContact C-N 3.29Å; L651-N653 PolarHBondContact O-N 2.91Å
654	D	33.7	Very low	54	Low	138 Å²	138	97 Å²	97	74%	0.738	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.3	1.5	-173.3	-108.5	-38.5	0	0	0	117.1
655	H	35.3	Very low	51.4	Low	174 Å²	174	100.2 Å²	100.2	81%	0.806	61%	0.612	S	S	*	*	S	Bend	trans	-122.7	3.3	-176.6	-72.7	-6.2	0	0	0	115.8	S657	H655-S657 PolarHBondContact O-N 3.23Å
656	S	32.6	Very low	48.6	Very low	112 Å²	112	103.4 Å²	103.4	78%	0.783	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	13.1	175	50.4	0	0	0	0	114.7
657	S	34.9	Very low	46.3	Very low	107 Å²	107	109.3 Å²	109.3	75%	0.748	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	14.2	-177.8	56.3	0	0	0	0	114.3	H655 S659	H655-S657 PolarHBondContact O-N 3.23Å; S657-S659 PolarHBondContact O-N 3.16Å
658	A	34.9	Very low	43.8	Very low	92 Å²	92	111.4 Å²	111.4	76%	0.76	68%	0.677	S	S	*	*	S	Bend	trans	-92	79.7	176.7	0	0	0	0	0	112.5
659	S	33.9	Very low	41.4	Very low	101 Å²	101	119.7 Å²	119.7	71%	0.706	72%	0.715	S	S	*	*			trans	16.4	127.4	163.2	-164.4	0	0	0	0	119.8	S657 S661	S657-S659 PolarHBondContact O-N 3.16Å; S659-S661 PolarHBondContact O-N 3.03Å
660	D	37.5	Very low	39.1	Very low	162 Å²	162	120.2 Å²	120.2	87%	0.866	72%	0.72	S	S	*	*			trans	-49	131.7	155.6	-57.5	-61.2	0	0	0	110.5
661	S	32.3	Very low	38	Very low	99 Å²	99	120.1 Å²	120.1	69%	0.692	71%	0.713	S	S	*	*			trans	-165.2	101.5	168	-82	0	0	0	0	110.3	S659 S663	S659-S661 PolarHBondContact O-N 3.03Å; S661-S663 PolarHBondContact O-N 3.36Å; S661-S663 VanDerWaalsContact O-N 3.1Å
662	D	40.4	Very low	37.6	Very low	175 Å²	175	122 Å²	122	94%	0.936	72%	0.72	S	S	*	*			trans	-59	112.4	172.1	-63	-54.9	0	0	0	110.3
663	S	33.4	Very low	37.9	Very low	98 Å²	98	119.1 Å²	119.1	69%	0.685	71%	0.712	S	S	*	*			trans	-153.7	82.9	174.5	-78	0	0	0	0	110.2	S661 S665	S661-S663 PolarHBondContact O-N 3.36Å; S661-S663 VanDerWaalsContact O-N 3.1Å; S663-S665 PolarHBondContact O-N 2.94Å
664	D	43.8	Very low	39.5	Very low	176 Å²	176	116.8 Å²	116.8	94%	0.941	70%	0.696	S	S	*	*			trans	-72.1	65.5	-179.8	-170.7	20.6	0	0	0	112
665	S	36.4	Very low	41.4	Very low	107 Å²	107	110.4 Å²	110.4	75%	0.748	66%	0.662	S	S	*	*			trans	-161.4	114.2	174.6	64.7	0	0	0	0	113.6	S663	S663-S665 PolarHBondContact O-N 2.94Å
666	G	31.7	Very low	42.8	Very low	68 Å²	68	106.5 Å²	106.5	70%	0.701	65%	0.65	S	S	*	*			trans	114	115.1	162.2	0	0	0	0	0	114.9	T668	G666-T668 PolarHBondContact O-N 3.05Å
667	I	41.9	Very low	44.6	Very low	141 Å²	141	101.2 Å²	101.2	72%	0.723	61%	0.613	S	S	*	*			trans	-76.5	109.2	165.7	-60.5	172.4	0	0	0	107.2
668	T	33.3	Very low	46.2	Very low	97 Å²	97	101.9 Å²	101.9	60%	0.595	60%	0.602	S	S	*	*			trans	-102.3	162.9	173.3	51	0	0	0	0	110.4	G666 S670	G666-T668 PolarHBondContact O-N 3.05Å; T668-S670 PolarHBondContact O-N 3.02Å; T668-S670 PolarHBondContact O-OG 2.89Å
669	H	35.7	Very low	47.3	Very low	188 Å²	188	99.7 Å²	99.7	87%	0.87	58%	0.58	S	S	*	*	S	Bend	trans	-71.8	72.3	178.5	-75	-71.9	0	0	0	111.8
670	S	33.8	Very low	48.7	Very low	83 Å²	83	96.9 Å²	96.9	58%	0.58	55%	0.554	S	S	*	*			trans	-127.1	14.3	-176.6	54.1	0	0	0	0	114.4	T668 M672	T668-S670 PolarHBondContact O-N 3.02Å; T668-S670 PolarHBondContact O-OG 2.89Å; S670-M672 PolarHBondContact O-N 3.47Å
671	H	43.5	Very low	49.3	Very low	65 Å²	65	95.1 Å²	95.1	30%	0.301	55%	0.549	S	S	.	.			trans	-75	23.9	175.8	-70.7	-74.7	0	0	0	114.6	T600 F601 G673 E766	T600-H671 PolarHBondContact O-CE1 2.81Å; T600-H671 PolarHBondContact O-ND1 3.39Å; F601-H671 HydrophobicContact CE1-CB 4.48Å; H671-G673 PolarHBondContact O-N 2.92Å; H671-E766 IonicContact CD2-OE1 3.74Å
672	M	50.7	Low	50.1	Low	151 Å²	151	93.2 Å²	93.2	74%	0.744	53%	0.533	S	S	*	.			trans	-77.1	40.4	162.7	-68.2	-169.8	69.3	0	0	111.6	S670	S670-M672 PolarHBondContact O-N 3.47Å
673	G	59.1	Low	50.7	Low	28 Å²	28	90.3 Å²	90.3	29%	0.289	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-70.7	136	174.9	0	0	0	0	0	110.7	H671 A696	H671-G673 PolarHBondContact O-N 2.92Å; G673-A696 VanDerWaalsContact O-CB 3.23Å; G673-A696 WeakPolarHBondContact O-CB 3.43Å; G673-A696 PolarHBondContact O-N 3.41Å
674	F	69.8	Low	52.1	Low	90 Å²	90	90.8 Å²	90.8	40%	0.395	52%	0.518	S	S	.	.	B	Isolated β-bridge	trans	-92.1	147.1	164.8	-68	-78.3	0	0	0	108.9	S691	F674-S691 WeakPolarHBondContact CB-O 3.49Å
675	L	74.1	Confident	53.2	Low	4 Å²	4	90.3 Å²	90.3	2%	0.021	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-86.5	127.2	-176.6	-62.1	178.4	0	0	0	110.1	T595 L597 S691 A696 L699 Y703	T595-L675 WeakPolarHBondContact O-CD2 3.46Å; L597-L675 HydrophobicContact CD1-CD1 4.39Å; L597-L675 HydrophobicContact CD2-CD1 4.02Å; L597-L675 HydrophobicContact CD2-CD2 3.8Å; L597-L675 HydrophobicContact CG-CD1 4.19Å; L597-L675 HydrophobicContact CG-CD2 4.15Å; L675-S691 PolarHBondContact N-O 3.19Å; L675-S691 CarbonylContact O-C 3.59Å; L675-S691 WeakPolarHBondContact O-CB 3.48Å; L675-S691 PolarHBondContact O-OG 2.88Å; L675-A696 HydrophobicContact CD1-CB 4.45Å; L675-A696 HydrophobicContact CD2-CB 3.48Å; L675-A696 VanDerWaalsContact CD2-CB 3.48Å; L675-A696 HydrophobicContact CG-CB 3.81Å; L675-L699 HydrophobicContact CB-CD1 4.35Å; L675-L699 HydrophobicContact CD1-CB 3.7Å; L675-L699 HydrophobicContact CD1-CD1 3.79Å; L675-L699 HydrophobicContact CD1-CG 4.41Å; L675-L699 HydrophobicContact CG-CD1 4.17Å; L675-Y703 HydrophobicContact CD1-CE2 4.26Å
676	V	65.1	Low	55.2	Low	93 Å²	93	87.2 Å²	87.2	56%	0.564	50%	0.5	S	S	*	.			trans	-108.2	107.2	167	-177.3	0	0	0	0	107	K678	V676-K678 PolarHBondContact O-N 3.12Å
677	S	71.1	Confident	57.8	Low	1 Å²	1	85.6 Å²	85.6	1%	0.007	47%	0.473	C	S	.	.			trans	-61.1	131.1	172.3	164.8	0	0	0	0	109.6	D594 T679 Y680	D594-S677 PolarHBondContact OD1-OG 3.01Å; D594-S677 VanDerWaalsContact OD2-CB 3.31Å; D594-S677 WeakPolarHBondContact OD2-CB 3.34Å; D594-S677 PolarHBondContact OD2-OG 2.81Å; S677-T679 PolarHBondContact O-N 3.11Å; S677-T679 PolarHBondContact OG-N 2.76Å; S677-T679 PolarHBondContact OG-OG1 3.16Å; S677-Y680 WeakPolarHBondContact O-CB 3.37Å; S677-Y680 PolarHBondContact O-N 3.43Å
678	K	67.4	Low	60.1	Low	120 Å²	120	79 Å²	79	52%	0.522	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-17.1	179.1	-72	162.8	-171.8	169.5	0	112.3	E593 D594 E599 V676	E593-K678 WeakPolarHBondContact O-CD 3.42Å; E593-K678 WeakPolarHBondContact O-CE 3.24Å; E593-K678 PolarHBondContact O-NZ 2.95Å; D594-K678 WeakPolarHBondContact O-CB 3.46Å; D594-K678 WeakPolarHBondContact O-CD 3.36Å; D594-K678 WeakPolarHBondContact O-CG 3.33Å; D594-K678 PolarHBondContact O-N 2.78Å; D594-K678 PolarHBondContact OD1-N 3.41Å; E599-K678 IonicContact OE1-NZ 2.78Å; E599-K678 PolarHBondContact OE1-NZ 2.49Å; V676-K678 PolarHBondContact O-N 3.12Å
679	T	58.7	Low	62.8	Low	47 Å²	47	74.7 Å²	74.7	29%	0.288	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-12.3	172.2	62.9	0	0	0	0	114.4	N563 D594 S677 T681	N563-T679 WeakPolarHBondContact ND2-CB 3.35Å; N563-T679 VanDerWaalsContact ND2-CG2 3.32Å; N563-T679 WeakPolarHBondContact ND2-CG2 3.36Å; N563-T679 WeakPolarHBondContact OD1-CB 3.26Å; N563-T679 PolarHBondContact OD1-OG1 2.8Å; D594-T679 PolarHBondContact OD1-N 3.13Å; S677-T679 PolarHBondContact O-N 3.11Å; S677-T679 PolarHBondContact OG-N 2.76Å; S677-T679 PolarHBondContact OG-OG1 3.16Å; T679-T681 PolarHBondContact O-N 3.34Å; T679-T681 VanDerWaalsContact O-N 3.1Å; T679-T681 PolarHBondContact O-OG1 3.15Å
680	Y	63.9	Low	65.5	Low	42 Å²	42	65.8 Å²	65.8	17%	0.165	37%	0.373	C	S	.	.			trans	-70	104.3	171.1	-176.3	-88.8	0	0	0	110	T642 P644 S677 V682 C689	T642-Y680 WeakPolarHBondContact O-CD2 3.32Å; P644-Y680 HydrophobicContact CB-CE2 4.41Å; P644-Y680 HydrophobicContact CG-CD2 4.32Å; P644-Y680 HydrophobicContact CG-CE2 3.92Å; S677-Y680 WeakPolarHBondContact O-CB 3.37Å; S677-Y680 PolarHBondContact O-N 3.43Å; Y680-V682 PolarHBondContact OH-O 3.19Å; Y680-C689 HydrophobicContact CE2-CB 4.23Å
681	T	48.7	Very low	68.2	Low	125 Å²	125	61.9 Å²	61.9	77%	0.767	35%	0.345	S	S	*	.			trans	-107.5	-3.3	-166.3	34.8	0	0	0	0	114.6	T679	T679-T681 PolarHBondContact O-N 3.34Å; T679-T681 VanDerWaalsContact O-N 3.1Å; T679-T681 PolarHBondContact O-OG1 3.15Å
682	V	48.6	Very low	70.3	Confident	59 Å²	59	59 Å²	59	36%	0.358	33%	0.333	S	S	.	.			trans	-137.3	99	-163.6	-172.9	0	0	0	0	112.3	Y680 E684	Y680-V682 PolarHBondContact OH-O 3.19Å; V682-E684 VanDerWaalsContact C-N 3.28Å; V682-E684 HydrophobicContact CG1-CB 3.76Å; V682-E684 HydrophobicContact CG1-CG 3.44Å; V682-E684 VanDerWaalsContact CG1-CG 3.44Å; V682-E684 WeakPolarHBondContact CG1-OE1 3.44Å; V682-E684 PolarHBondContact O-N 2.94Å
683	S	54.8	Low	72.2	Confident	113 Å²	113	52 Å²	52	79%	0.79	30%	0.298	S	S	*	.			trans	-84	68.9	163.4	179.3	0	0	0	0	110.1
684	E	61.5	Low	73.9	Confident	109 Å²	109	50.7 Å²	50.7	51%	0.509	29%	0.285	S	S	.	.			trans	-82.2	137.9	174.2	-97.4	174.2	-148.3	0	0	111.9	V682 G686 Y687	V682-E684 VanDerWaalsContact C-N 3.28Å; V682-E684 HydrophobicContact CG1-CB 3.76Å; V682-E684 HydrophobicContact CG1-CG 3.44Å; V682-E684 VanDerWaalsContact CG1-CG 3.44Å; V682-E684 WeakPolarHBondContact CG1-OE1 3.44Å; V682-E684 PolarHBondContact O-N 2.94Å; E684-G686 PolarHBondContact O-N 3.21Å; E684-G686 VanDerWaalsContact O-N 3.1Å; E684-Y687 HydrophobicContact CB-CD2 3.65Å; E684-Y687 HydrophobicContact CB-CE2 3.97Å; E684-Y687 PolarHBondContact O-N 3.25Å; E684-Y687 WeakPolarHBondContact OE2-CE2 3.41Å
685	D	67.1	Low	75.1	Confident	166 Å²	166	47.3 Å²	47.3	89%	0.888	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	112.9	176.8	-75.6	-37.1	0	0	0	111.4
686	G	78.7	Confident	76.1	Confident	42 Å²	42	47.1 Å²	47.1	43%	0.433	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.4	19.1	-179.3	0	0	0	0	0	115.4	G647 E684 W901	G647-G686 PolarHBondContact N-O 2.74Å; E684-G686 PolarHBondContact O-N 3.21Å; E684-G686 VanDerWaalsContact O-N 3.1Å; G686-W901 PolarHBondContact O-NE1 2.79Å
687	Y	87.4	Confident	77.7	Confident	33 Å²	33	43.8 Å²	43.8	13%	0.129	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	154.6	164	-64.8	-91.5	0	0	0	111.8	P644 V645 P646 E684 W901	P644-Y687 HydrophobicContact CB-CD1 3.85Å; P644-Y687 HydrophobicContact CB-CE1 4.44Å; P644-Y687 HydrophobicContact CB-CG 4.33Å; V645-Y687 WeakPolarHBondContact O-CA 3.4Å; P646-Y687 HydrophobicContact CB-CD1 4.39Å; P646-Y687 HydrophobicContact CB-CE1 4.25Å; P646-Y687 HydrophobicContact CG-CD1 4.26Å; P646-Y687 HydrophobicContact CG-CE1 3.93Å; E684-Y687 HydrophobicContact CB-CD2 3.65Å; E684-Y687 HydrophobicContact CB-CE2 3.97Å; E684-Y687 PolarHBondContact O-N 3.25Å; E684-Y687 WeakPolarHBondContact OE2-CE2 3.41Å; Y687-W901 AromaticContact CE2-CD1 3.7Å; Y687-W901 AromaticContact CZ-CD1 3.5Å; Y687-W901 PolarHBondContact OH-N 3.17Å; Y687-W901 VanDerWaalsContact OH-N 3.08Å
688	G	88.5	Confident	79	Confident	2 Å²	2	44.3 Å²	44.3	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	-171.3	165.3	0	0	0	0	0	111	V645 L648	V645-G688 PolarHBondContact N-O 2.8Å; V645-G688 PolarHBondContact O-N 3.1Å; L648-G688 PolarHBondContact O-N 3.41Å
689	C	90.3	Very high	80.4	Confident	8 Å²	8	38.6 Å²	38.6	5%	0.054	23%	0.228	C	C	.	.			trans	-147.7	151.1	169.7	52.2	0	0	0	0	109.3	Y680 S691 G692	Y680-C689 HydrophobicContact CE2-CB 4.23Å; C689-S691 PolarHBondContact O-N 3.24Å; C689-S691 PolarHBondContact SG-OG 3.02Å; C689-G692 PolarHBondContact O-N 3.06Å; C689-G692 VanDerWaalsContact O-N 3.16Å
690	L	92.3	Very high	82.3	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-65.5	-25.9	178.3	-58.8	175.2	0	0	0	111.6	T641 L648 G692 L693 I694 W807 V816 Y891 L896	T641-L690 HydrophobicContact CG2-CB 4.26Å; T641-L690 HydrophobicContact CG2-CD1 4.08Å; T641-L690 PolarHBondContact O-N 3.47Å; L648-L690 HydrophobicContact CD2-CD2 3.96Å; L648-L690 HydrophobicContact CD2-CG 4.44Å; L690-G692 PolarHBondContact O-N 3.25Å; L690-L693 CarbonylContact O-C 3.58Å; L690-L693 PolarHBondContact O-N 3.36Å; L690-I694 HydrophobicContact CB-CD1 4.14Å; L690-I694 PolarHBondContact O-N 2.92Å; L690-W807 HydrophobicContact CD2-CH2 3.61Å; L690-W807 HydrophobicContact CD2-CZ2 4.48Å; L690-W807 HydrophobicContact CD2-CZ3 4.08Å; L690-V816 HydrophobicContact CD1-CG1 4.46Å; L690-Y891 WeakPolarHBondContact CD1-OH 3.26Å; L690-L896 HydrophobicContact CD2-CD2 4.12Å
691	S	91.3	Very high	84	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.007	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-64.8	-21.4	176.3	78.2	0	0	0	0	114	T641 F674 L675 C689	T641-S691 PolarHBondContact O-N 3.45Å; F674-S691 WeakPolarHBondContact CB-O 3.49Å; L675-S691 PolarHBondContact N-O 3.19Å; L675-S691 CarbonylContact O-C 3.59Å; L675-S691 WeakPolarHBondContact O-CB 3.48Å; L675-S691 PolarHBondContact O-OG 2.88Å; C689-S691 PolarHBondContact O-N 3.24Å; C689-S691 PolarHBondContact SG-OG 3.02Å
692	G	88.3	Confident	86.4	Confident	4 Å²	4	28.6 Å²	28.6	4%	0.041	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-88.5	0	169.2	0	0	0	0	0	115.3	C689 L690	C689-G692 PolarHBondContact O-N 3.06Å; C689-G692 VanDerWaalsContact O-N 3.16Å; L690-G692 PolarHBondContact O-N 3.25Å
693	L	90.4	Very high	88.8	Confident	4 Å²	4	25.8 Å²	25.8	2%	0.021	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-22	-177.9	-60.4	-178.7	0	0	0	113.8	L648 L651 L690 W807	L648-L693 HydrophobicContact CD1-CD1 3.76Å; L648-L693 HydrophobicContact CD2-CD1 3.88Å; L648-L693 HydrophobicContact CG-CD1 3.73Å; L651-L693 HydrophobicContact CB-CD2 4.16Å; L651-L693 HydrophobicContact CD1-CD2 3.72Å; L651-L693 HydrophobicContact CG-CD2 3.98Å; L690-L693 CarbonylContact O-C 3.58Å; L690-L693 PolarHBondContact O-N 3.36Å; L693-W807 HydrophobicContact CB-CD2 3.96Å; L693-W807 HydrophobicContact CB-CE3 3.7Å; L693-W807 HydrophobicContact CB-CG 4.43Å; L693-W807 HydrophobicContact CB-CZ3 4.16Å; L693-W807 HydrophobicContact CD1-CD2 3.88Å; L693-W807 HydrophobicContact CD1-CE3 4.2Å; L693-W807 HydrophobicContact CD1-CG 4.43Å; L693-W807 HydrophobicContact CD1-CH2 4.2Å; L693-W807 HydrophobicContact CD1-CZ2 3.86Å; L693-W807 HydrophobicContact CD1-CZ3 4.35Å; L693-W807 HydrophobicContact CG-CD2 4.43Å
694	I	94.3	Very high	90.9	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	12%	0.117	C	C	.	.	S	Bend	trans	-112.8	127	-179.4	-54.7	178	0	0	0	108.8	L690 E698 L699 W807 V816	L690-I694 HydrophobicContact CB-CD1 4.14Å; L690-I694 PolarHBondContact O-N 2.92Å; I694-E698 HydrophobicContact CG2-CB 3.65Å; I694-L699 HydrophobicContact CB-CD1 4.17Å; I694-L699 HydrophobicContact CB-CD2 4.04Å; I694-L699 HydrophobicContact CB-CG 3.99Å; I694-L699 HydrophobicContact CD1-CD2 4.33Å; I694-L699 HydrophobicContact CG2-CD1 4.48Å; I694-L699 HydrophobicContact CG2-CD2 3.97Å; I694-L699 HydrophobicContact CG2-CG 3.81Å; I694-L699 VanDerWaalsContact O-CD1 3.28Å; I694-L699 WeakPolarHBondContact O-CD1 3.33Å; I694-W807 HydrophobicContact CD1-CZ3 4.27Å; I694-W807 HydrophobicContact CG1-CE3 4.34Å; I694-W807 HydrophobicContact CG1-CZ3 4.05Å; I694-V816 HydrophobicContact CD1-CG1 4.03Å
695	P	94.7	Very high	92.7	Very high	20 Å²	20	15.3 Å²	15.3	13%	0.13	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-58.6	149.1	179.9	-26.2	34.6	0	0	0	114	L697 E698 L699	P695-L697 PolarHBondContact O-N 3.12Å; P695-L697 VanDerWaalsContact O-N 3.08Å; P695-E698 PolarHBondContact O-N 3.05Å; P695-L699 PolarHBondContact O-N 3.3Å; P695-L699 VanDerWaalsContact O-N 3.16Å
696	A	95.8	Very high	94.2	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-51.9	-35.1	-179.2	0	0	0	0	0	114.6	L597 T600 F601 G673 L675 E698 M700	L597-A696 HydrophobicContact CD2-CB 4.48Å; T600-A696 HydrophobicContact CG2-CB 4.18Å; F601-A696 HydrophobicContact CE2-CB 3.78Å; F601-A696 HydrophobicContact CZ-CB 3.8Å; G673-A696 VanDerWaalsContact O-CB 3.23Å; G673-A696 WeakPolarHBondContact O-CB 3.43Å; G673-A696 PolarHBondContact O-N 3.41Å; L675-A696 HydrophobicContact CD1-CB 4.45Å; L675-A696 HydrophobicContact CD2-CB 3.48Å; L675-A696 VanDerWaalsContact CD2-CB 3.48Å; L675-A696 HydrophobicContact CG-CB 3.81Å; A696-E698 VanDerWaalsContact C-N 3.34Å; A696-M700 VanDerWaalsContact O-CB 3.24Å; A696-M700 WeakPolarHBondContact O-CB 3.33Å; A696-M700 PolarHBondContact O-N 2.9Å
697	L	97.3	Very high	95.1	Very high	23 Å²	23	5.4 Å²	5.4	12%	0.12	3%	0.03	C	C	.	.	H	α-helix	trans	-68.8	-33.1	179.3	-171.2	66.3	0	0	0	112.3	F601 P695 M700 A701 L762 E766 R769 F770	F601-L697 HydrophobicContact CE1-CB 4.45Å; F601-L697 HydrophobicContact CE1-CD1 4.12Å; F601-L697 HydrophobicContact CZ-CB 3.92Å; F601-L697 HydrophobicContact CZ-CD1 4.11Å; P695-L697 PolarHBondContact O-N 3.12Å; P695-L697 VanDerWaalsContact O-N 3.08Å; L697-M700 HydrophobicContact CD1-CE 3.9Å; L697-A701 WeakPolarHBondContact O-CB 3.1Å; L697-A701 PolarHBondContact O-N 3.15Å; L697-A701 VanDerWaalsContact O-N 3.13Å; L697-L762 HydrophobicContact CD1-CD1 4.19Å; L697-L762 HydrophobicContact CD1-CD2 4.45Å; L697-E766 HydrophobicContact CD2-CB 4.3Å; L697-E766 HydrophobicContact CD2-CG 4.48Å; L697-R769 HydrophobicContact CD2-CB 4.42Å; L697-R769 HydrophobicContact CD2-CG 4.09Å; L697-F770 HydrophobicContact CD1-CB 4.08Å; L697-F770 HydrophobicContact CD1-CD2 4.13Å
698	E	98.4	Very high	95.7	Very high	12 Å²	12	3.9 Å²	3.9	6%	0.056	2%	0.024	C	C	.	.	H	α-helix	trans	-77.9	-39.3	179.1	-73.1	171.6	-168.5	0	0	111.1	I694 P695 A696 A701 L702 R769 L773 R813	I694-E698 HydrophobicContact CG2-CB 3.65Å; P695-E698 PolarHBondContact O-N 3.05Å; A696-E698 VanDerWaalsContact C-N 3.34Å; E698-A701 PolarHBondContact O-N 2.93Å; E698-L702 PolarHBondContact O-N 2.88Å; E698-R769 IonicContact OE1-CZ 2.9Å; E698-R769 IonicContact OE1-NE 3.19Å; E698-R769 IonicContact OE1-NH2 3.96Å; E698-R769 PolarHBondContact OE1-NH2 3.27Å; E698-L773 HydrophobicContact CB-CD1 4.39Å; E698-L773 HydrophobicContact CG-CD1 3.62Å; E698-L773 HydrophobicContact CG-CD2 4.06Å; E698-L773 HydrophobicContact CG-CG 4.5Å; E698-R813 IonicContact OE1-CZ 2.73Å; E698-R813 IonicContact OE1-NE 2.82Å; E698-R813 IonicContact OE1-NH2 3.46Å; E698-R813 PolarHBondContact OE1-NH2 3.25Å; E698-R813 IonicContact OE2-CZ 3.75Å; E698-R813 IonicContact OE2-NE 3.31Å; E698-R813 PolarHBondContact OE2-NE 3.03Å; E698-R813 IonicContact OE2-NH2 2.67Å; E698-R813 PolarHBondContact OE2-NH2 3.4Å
699	L	98.2	Very high	96.2	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-69.5	-40.3	173.1	-66.2	169.2	0	0	0	112.5	T641 L675 I694 P695 A701 L702 Y703	T641-L699 HydrophobicContact CG2-CD2 3.71Å; L675-L699 HydrophobicContact CB-CD1 4.35Å; L675-L699 HydrophobicContact CD1-CB 3.7Å; L675-L699 HydrophobicContact CD1-CD1 3.79Å; L675-L699 HydrophobicContact CD1-CG 4.41Å; L675-L699 HydrophobicContact CG-CD1 4.17Å; I694-L699 HydrophobicContact CB-CD1 4.17Å; I694-L699 HydrophobicContact CB-CD2 4.04Å; I694-L699 HydrophobicContact CB-CG 3.99Å; I694-L699 HydrophobicContact CD1-CD2 4.33Å; I694-L699 HydrophobicContact CG2-CD1 4.48Å; I694-L699 HydrophobicContact CG2-CD2 3.97Å; I694-L699 HydrophobicContact CG2-CG 3.81Å; I694-L699 VanDerWaalsContact O-CD1 3.28Å; I694-L699 WeakPolarHBondContact O-CD1 3.33Å; P695-L699 PolarHBondContact O-N 3.3Å; P695-L699 VanDerWaalsContact O-N 3.16Å; L699-A701 VanDerWaalsContact C-N 3.27Å; L699-A701 PolarHBondContact O-N 3.47Å; L699-L702 HydrophobicContact CD2-CD2 4.4Å; L699-L702 WeakPolarHBondContact O-CB 3.16Å; L699-L702 PolarHBondContact O-N 3.11Å; L699-Y703 HydrophobicContact CB-CE2 4.32Å; L699-Y703 WeakPolarHBondContact O-CD1 3.1Å; L699-Y703 WeakPolarHBondContact O-CD2 3.04Å; L699-Y703 PolarHBondContact O-N 2.89Å
700	M	98.6	Very high	96.6	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-60	-40.3	172.3	-169.5	174.4	59.8	0	0	111.2	F592 L597 F601 I603 A696 L697 Y703 V704 L759 L762 F770	F592-M700 HydrophobicContact CE1-CG 3.78Å; F592-M700 HydrophobicContact CE1-SD 3.91Å; F592-M700 HydrophobicContact CZ-CG 3.75Å; F592-M700 HydrophobicContact CZ-SD 4.47Å; L597-M700 HydrophobicContact CD1-CB 4.15Å; L597-M700 HydrophobicContact CD1-CG 4.12Å; L597-M700 HydrophobicContact CD2-CB 3.81Å; L597-M700 HydrophobicContact CD2-CG 4.14Å; L597-M700 HydrophobicContact CD2-SD 4.17Å; F601-M700 HydrophobicContact CD2-CE 3.61Å; F601-M700 HydrophobicContact CD2-SD 3.55Å; F601-M700 VanDerWaalsContact CD2-SD 3.55Å; F601-M700 HydrophobicContact CE2-CB 4.43Å; F601-M700 HydrophobicContact CE2-CE 3.84Å; F601-M700 HydrophobicContact CE2-SD 4.04Å; F601-M700 HydrophobicContact CG-CE 3.99Å; F601-M700 HydrophobicContact CG-SD 4.27Å; F601-M700 HydrophobicContact CZ-CE 4.43Å; I603-M700 HydrophobicContact CD1-SD 3.67Å; A696-M700 VanDerWaalsContact O-CB 3.24Å; A696-M700 WeakPolarHBondContact O-CB 3.33Å; A696-M700 PolarHBondContact O-N 2.9Å; L697-M700 HydrophobicContact CD1-CE 3.9Å; M700-Y703 PolarHBondContact O-N 3.39Å; M700-V704 HydrophobicContact CG-CG2 4.4Å; M700-V704 WeakPolarHBondContact O-CB 3.48Å; M700-V704 WeakPolarHBondContact O-CG2 3.38Å; M700-V704 PolarHBondContact O-N 2.99Å; M700-L759 HydrophobicContact CE-CD2 4.08Å; M700-L762 HydrophobicContact CE-CD1 4.26Å; M700-F770 HydrophobicContact CB-CE2 4.24Å; M700-F770 HydrophobicContact CE-CD2 3.81Å; M700-F770 HydrophobicContact CE-CE2 3.75Å; M700-F770 HydrophobicContact CG-CE2 3.91Å; M700-F770 HydrophobicContact SD-CE2 4.49Å
701	A	98.8	Very high	96.9	Very high	1 Å²	1	5.5 Å²	5.5	1%	0.008	3%	0.029	C	C	.	.	H	α-helix	trans	-65.1	-40.3	175.3	0	0	0	0	0	112.1	L697 E698 L699 A705 F770 L773 V774	L697-A701 WeakPolarHBondContact O-CB 3.1Å; L697-A701 PolarHBondContact O-N 3.15Å; L697-A701 VanDerWaalsContact O-N 3.13Å; E698-A701 PolarHBondContact O-N 2.93Å; L699-A701 VanDerWaalsContact C-N 3.27Å; L699-A701 PolarHBondContact O-N 3.47Å; A701-A705 WeakPolarHBondContact O-CB 3.48Å; A701-A705 PolarHBondContact O-N 3.39Å; A701-F770 VanDerWaalsContact CA-CE2 3.5Å; A701-F770 HydrophobicContact CB-CD2 3.82Å; A701-F770 HydrophobicContact CB-CE2 3.92Å; A701-L773 HydrophobicContact CB-CB 3.45Å; A701-L773 VanDerWaalsContact CB-CB 3.45Å; A701-L773 HydrophobicContact CB-CD1 4.12Å; A701-L773 HydrophobicContact CB-CG 4.43Å; A701-V774 HydrophobicContact CB-CG2 3.91Å
702	L	98.9	Very high	97.2	Very high	2 Å²	2	7.4 Å²	7.4	1%	0.01	4%	0.039	C	C	.	.	H	α-helix	trans	-61.7	-45.4	174.8	179.9	61.9	0	0	0	112.3	V637 T641 E698 L699 A705 A706 C817 C820 I821	V637-L702 HydrophobicContact CB-CD2 4.26Å; V637-L702 HydrophobicContact CB-CG 4.11Å; V637-L702 HydrophobicContact CG1-CD1 4.18Å; V637-L702 HydrophobicContact CG1-CG 4.29Å; V637-L702 HydrophobicContact CG2-CG 4.41Å; T641-L702 HydrophobicContact CG2-CD2 3.96Å; E698-L702 PolarHBondContact O-N 2.88Å; L699-L702 HydrophobicContact CD2-CD2 4.4Å; L699-L702 WeakPolarHBondContact O-CB 3.16Å; L699-L702 PolarHBondContact O-N 3.11Å; L702-A705 PolarHBondContact O-N 3.44Å; L702-A706 WeakPolarHBondContact O-CB 3.45Å; L702-A706 PolarHBondContact O-N 3.39Å; L702-C817 HydrophobicContact CD1-CB 4.29Å; L702-C817 WeakPolarHBondContact CD1-O 3.43Å; L702-C817 HydrophobicContact CD2-CB 4.39Å; L702-C820 HydrophobicContact CD2-CB 4.37Å; L702-I821 HydrophobicContact CD1-CB 3.79Å; L702-I821 HydrophobicContact CD1-CG2 4.37Å
703	Y	98.9	Very high	97.7	Very high	1 Å²	1	7.4 Å²	7.4	0%	0.004	4%	0.038	C	C	.	.	H	α-helix	trans	-67.2	-42.8	178.6	-55.8	-19	0	0	0	111.6	T595 L597 L634 V637 W638 T641 L675 L699 M700 A706 A707	T595-Y703 HydrophobicContact CG2-CE2 4.19Å; L597-Y703 HydrophobicContact CD1-CD2 3.81Å; L597-Y703 HydrophobicContact CD1-CE2 4.05Å; L634-Y703 WeakPolarHBondContact CD1-O 3.42Å; V637-Y703 HydrophobicContact CG2-CD1 3.79Å; V637-Y703 HydrophobicContact CG2-CE1 4.39Å; W638-Y703 HydrophobicContact CB-CE1 4.15Å; T641-Y703 WeakPolarHBondContact OG1-CE1 3.41Å; T641-Y703 PolarHBondContact OG1-OH 3.01Å; L675-Y703 HydrophobicContact CD1-CE2 4.26Å; L699-Y703 HydrophobicContact CB-CE2 4.32Å; L699-Y703 WeakPolarHBondContact O-CD1 3.1Å; L699-Y703 WeakPolarHBondContact O-CD2 3.04Å; L699-Y703 PolarHBondContact O-N 2.89Å; M700-Y703 PolarHBondContact O-N 3.39Å; Y703-A706 PolarHBondContact O-N 2.95Å; Y703-A707 PolarHBondContact O-N 3.38Å; Y703-A707 VanDerWaalsContact O-N 3.1Å
704	V	98.9	Very high	98	Very high	2 Å²	2	8.3 Å²	8.3	1%	0.012	4%	0.044	C	C	.	.	H	α-helix	trans	-68.4	-36.2	178	173.3	0	0	0	0	111.4	F592 F612 M700 A707 M708 F758 F770 V774	F592-V704 HydrophobicContact CE2-CG2 4.49Å; F592-V704 HydrophobicContact CZ-CG2 3.78Å; F612-V704 HydrophobicContact CZ-CG2 4.25Å; M700-V704 HydrophobicContact CG-CG2 4.4Å; M700-V704 WeakPolarHBondContact O-CB 3.48Å; M700-V704 WeakPolarHBondContact O-CG2 3.38Å; M700-V704 PolarHBondContact O-N 2.99Å; V704-A707 PolarHBondContact O-N 3.08Å; V704-M708 HydrophobicContact CG1-CE 3.46Å; V704-M708 VanDerWaalsContact CG1-CE 3.46Å; V704-M708 WeakPolarHBondContact O-CG 3.25Å; V704-M708 PolarHBondContact O-N 2.67Å; V704-F758 HydrophobicContact CG2-CZ 4.23Å; V704-F770 HydrophobicContact CB-CE2 4.45Å; V704-F770 HydrophobicContact CB-CZ 3.83Å; V704-F770 HydrophobicContact CG1-CE1 4.41Å; V704-F770 HydrophobicContact CG1-CZ 3.84Å; V704-F770 HydrophobicContact CG2-CE2 4.39Å; V704-F770 HydrophobicContact CG2-CZ 3.9Å; V704-V774 HydrophobicContact CB-CG2 4.44Å; V704-V774 HydrophobicContact CG1-CG2 4.32Å
705	A	98.9	Very high	98.2	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-61.2	-51.1	171	0	0	0	0	0	111.8	A701 L702 A707 M708 H709 V774 A777 I778 I821	A701-A705 WeakPolarHBondContact O-CB 3.48Å; A701-A705 PolarHBondContact O-N 3.39Å; L702-A705 PolarHBondContact O-N 3.44Å; A705-A707 PolarHBondContact O-N 3.22Å; A705-M708 CarbonylContact O-C 3.53Å; A705-M708 PolarHBondContact O-N 2.91Å; A705-H709 WeakPolarHBondContact O-CB 3.43Å; A705-H709 PolarHBondContact O-N 3.32Å; A705-V774 HydrophobicContact CB-CG1 4.29Å; A705-A777 HydrophobicContact CB-CB 3.6Å; A705-I778 HydrophobicContact CB-CG1 3.98Å; A705-I821 HydrophobicContact CB-CD1 4.2Å
706	A	98.9	Very high	98.4	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-56.1	-37.5	178.3	0	0	0	0	0	112.5	V633 L634 V637 L702 Y703 M708 H709 I821	V633-A706 HydrophobicContact CG1-CB 4.03Å; L634-A706 HydrophobicContact CB-CB 4.32Å; V637-A706 HydrophobicContact CG1-CB 4.35Å; V637-A706 HydrophobicContact CG2-CB 3.64Å; L702-A706 WeakPolarHBondContact O-CB 3.45Å; L702-A706 PolarHBondContact O-N 3.39Å; Y703-A706 PolarHBondContact O-N 2.95Å; A706-M708 VanDerWaalsContact C-N 3.27Å; A706-M708 PolarHBondContact O-N 2.74Å; A706-H709 PolarHBondContact O-ND1 2.83Å; A706-I821 HydrophobicContact CB-CD1 4.25Å
707	A	98.9	Very high	98.5	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-11.8	176.8	0	0	0	0	0	115.3	L584 F612 L615 Y619 L634 Y703 V704 A705	L584-A707 HydrophobicContact CD1-CB 3.99Å; F612-A707 HydrophobicContact CD1-CB 4.37Å; F612-A707 HydrophobicContact CE1-CB 3.61Å; L615-A707 HydrophobicContact CD2-CB 4.34Å; L615-A707 WeakPolarHBondContact CD2-O 3.37Å; Y619-A707 PolarHBondContact OH-O 3.36Å; L634-A707 HydrophobicContact CD2-CB 4.41Å; Y703-A707 PolarHBondContact O-N 3.38Å; Y703-A707 VanDerWaalsContact O-N 3.1Å; V704-A707 PolarHBondContact O-N 3.08Å; A705-A707 PolarHBondContact O-N 3.22Å
708	M	98.6	Very high	98.5	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.005	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.6	-0.4	-177.5	75.7	176.4	55.8	0	0	115.4	Y611 L615 V704 A705 A706 D710 Y711 A746 V774 I778	Y611-M708 HydrophobicContact CE1-CE 4.26Å; Y611-M708 VanDerWaalsContact OH-CE 3.23Å; Y611-M708 WeakPolarHBondContact OH-CE 3.32Å; L615-M708 HydrophobicContact CD1-CB 3.9Å; L615-M708 HydrophobicContact CD2-CB 4.12Å; V704-M708 HydrophobicContact CG1-CE 3.46Å; V704-M708 VanDerWaalsContact CG1-CE 3.46Å; V704-M708 WeakPolarHBondContact O-CG 3.25Å; V704-M708 PolarHBondContact O-N 2.67Å; A705-M708 CarbonylContact O-C 3.53Å; A705-M708 PolarHBondContact O-N 2.91Å; A706-M708 VanDerWaalsContact C-N 3.27Å; A706-M708 PolarHBondContact O-N 2.74Å; M708-D710 PolarHBondContact O-N 3.39Å; M708-Y711 VanDerWaalsContact O-CB 3.27Å; M708-Y711 WeakPolarHBondContact O-CB 3.39Å; M708-Y711 PolarHBondContact O-N 2.94Å; M708-A746 HydrophobicContact CB-CB 3.75Å; M708-A746 HydrophobicContact CE-CB 4.17Å; M708-A746 HydrophobicContact CG-CB 4.05Å; M708-A746 HydrophobicContact SD-CB 3.56Å; M708-A746 VanDerWaalsContact SD-CB 3.56Å; M708-V774 HydrophobicContact CE-CG1 4.42Å; M708-V774 HydrophobicContact SD-CG1 3.67Å; M708-I778 HydrophobicContact CG-CD1 3.54Å; M708-I778 HydrophobicContact CG-CG1 4.43Å; M708-I778 HydrophobicContact SD-CD1 3.75Å
709	H	98.8	Very high	98.4	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.1	-167.9	73.1	-78.9	0	0	0	114.6	H629 A705 A706 H742 I778 T781 I821	H629-H709 AromaticContact CD2-NE2 3.86Å; A705-H709 WeakPolarHBondContact O-CB 3.43Å; A705-H709 PolarHBondContact O-N 3.32Å; A706-H709 PolarHBondContact O-ND1 2.83Å; H709-H742 WeakPolarHBondContact O-CB 3.35Å; H709-H742 PolarHBondContact O-CD2 2.7Å; H709-I778 HydrophobicContact CB-CG1 4.21Å; H709-I778 HydrophobicContact CB-CG2 4.33Å; H709-T781 HydrophobicContact CB-CG2 4.32Å; H709-I821 HydrophobicContact CB-CD1 4.49Å
710	D	98.8	Very high	98.4	Very high	13 Å²	13	11.2 Å²	11.2	7%	0.07	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	16.6	-179.4	-95.3	2.6	0	0	0	112.9	Y619 H625 H629 M708 D712 H713	Y619-D710 HydrophobicContact CE1-CB 3.61Å; Y619-D710 WeakPolarHBondContact CE1-O 3.48Å; Y619-D710 PolarHBondContact OH-N 3.08Å; H625-D710 WeakPolarHBondContact CB-OD2 3.32Å; H625-D710 IonicContact CD2-OD2 3.18Å; H625-D710 PolarHBondContact CD2-OD2 3.06Å; H625-D710 IonicContact CG-OD2 2.72Å; H629-D710 IonicContact CD2-OD2 3.68Å; H629-D710 PolarHBondContact CD2-OD2 3.13Å; H629-D710 VanDerWaalsContact CD2-OD2 3.23Å; M708-D710 PolarHBondContact O-N 3.39Å; D710-D712 PolarHBondContact O-N 2.93Å; D710-H713 HydrophobicContact CB-CB 4.4Å; D710-H713 WeakPolarHBondContact O-CB 3.5Å; D710-H713 PolarHBondContact O-N 3.37Å
711	Y	98.7	Very high	98.4	Very high	31 Å²	31	11.6 Å²	11.6	12%	0.122	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	123.1	-173.2	176.4	-94.1	0	0	0	112.1	L615 Y619 M708 H742 A746 L749	L615-Y711 HydrophobicContact CD1-CD2 3.43Å; L615-Y711 VanDerWaalsContact CD1-CD2 3.43Å; L615-Y711 HydrophobicContact CD1-CE2 3.88Å; L615-Y711 HydrophobicContact CD1-CG 4Å; L615-Y711 HydrophobicContact CG-CD2 4.1Å; L615-Y711 WeakPolarHBondContact O-CE2 3.47Å; Y619-Y711 HydrophobicContact CD2-CD2 4.36Å; Y619-Y711 HydrophobicContact CE2-CD2 4.34Å; Y619-Y711 PolarHBondContact OH-N 2.92Å; M708-Y711 VanDerWaalsContact O-CB 3.27Å; M708-Y711 WeakPolarHBondContact O-CB 3.39Å; M708-Y711 PolarHBondContact O-N 2.94Å; Y711-H742 PolarHBondContact O-ND1 2.96Å; Y711-A746 HydrophobicContact CD1-CB 4.1Å; Y711-A746 HydrophobicContact CG-CB 4.1Å; Y711-L749 HydrophobicContact CE2-CD2 4.05Å
712	D	98.3	Very high	98.3	Very high	40 Å²	40	14 Å²	14	21%	0.214	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	32	-171.3	-169.2	49.3	0	0	0	114.8	G618 R620 D710 H741	G618-D712 WeakPolarHBondContact O-CA 3.39Å; R620-D712 IonicContact CZ-OD1 3.46Å; R620-D712 IonicContact NE-OD1 3.49Å; R620-D712 PolarHBondContact NE-OD1 3.15Å; R620-D712 IonicContact NH2-OD1 2.78Å; R620-D712 PolarHBondContact NH2-OD1 2.93Å; R620-D712 IonicContact NH2-OD2 3.49Å; R620-D712 PolarHBondContact NH2-OD2 3.3Å; D710-D712 PolarHBondContact O-N 2.93Å; D712-H741 IonicContact OD2-CD2 3.91Å; D712-H741 IonicContact OD2-CE1 3.37Å; D712-H741 IonicContact OD2-NE2 3.38Å; D712-H741 PolarHBondContact OD2-NE2 2.67Å
713	H	98.5	Very high	98.2	Very high	5 Å²	5	17.1 Å²	17.1	2%	0.023	11%	0.106	C	C	.	.			trans	-56.2	130.2	172.8	-168.2	-94.2	0	0	0	112.3	R620 I622 H625 D710 G715 H742 E846	R620-H713 VanDerWaalsContact CD-O 3.25Å; R620-H713 WeakPolarHBondContact CD-O 3.33Å; I622-H713 HydrophobicContact CD1-CB 4.31Å; I622-H713 WeakPolarHBondContact CD1-O 3.3Å; H625-H713 HydrophobicContact CB-CB 3.74Å; H625-H713 VanDerWaalsContact CB-CG 3.46Å; H625-H713 WeakPolarHBondContact CB-ND1 3.43Å; H625-H713 AromaticContact CE1-CE1 3.71Å; H625-H713 AromaticContact CG-CE1 3.53Å; H625-H713 AromaticContact CG-CG 3.85Å; H625-H713 AromaticContact CG-ND1 3.43Å; H625-H713 AromaticContact ND1-CE1 3.27Å; H625-H713 PolarHBondContact ND1-CE1 3.04Å; H625-H713 VanDerWaalsContact ND1-CE1 3.27Å; H625-H713 AromaticContact ND1-ND1 3.49Å; H625-H713 PolarHBondContact ND1-ND1 3.06Å; D710-H713 HydrophobicContact CB-CB 4.4Å; D710-H713 WeakPolarHBondContact O-CB 3.5Å; D710-H713 PolarHBondContact O-N 3.37Å; H713-G715 VanDerWaalsContact C-N 3.34Å; H713-G715 PolarHBondContact ND1-N 3.49Å; H713-G715 PolarHBondContact O-N 2.96Å; H713-H742 AromaticContact CD2-CE1 3.94Å; H713-H742 AromaticContact CD2-NE2 3.65Å; H713-E846 IonicContact CE1-OE1 3.17Å; H713-E846 PolarHBondContact CE1-OE1 3Å; H713-E846 IonicContact ND1-OE1 3.65Å
714	P	98	Very high	98.1	Very high	23 Å²	23	19.3 Å²	19.3	15%	0.149	12%	0.12	C	C	.	.			trans	-85.9	1.5	-169.1	34.3	-36.7	0	0	0	115	R716 L738	P714-R716 VanDerWaalsContact C-N 3.29Å; P714-R716 HydrophobicContact CG-CB 4.16Å; P714-L738 HydrophobicContact CG-CD2 3.71Å
715	G	97.8	Very high	98	Very high	2 Å²	2	23.4 Å²	23.4	2%	0.021	15%	0.148	C	C	.	.	S	Bend	trans	79.9	12.6	-170.2	0	0	0	0	0	113.5	H713 E846	H713-G715 VanDerWaalsContact C-N 3.34Å; H713-G715 PolarHBondContact ND1-N 3.49Å; H713-G715 PolarHBondContact O-N 2.96Å; G715-E846 VanDerWaalsContact CA-OE1 3.23Å; G715-E846 WeakPolarHBondContact CA-OE1 3.42Å
716	R	98.1	Very high	98	Very high	33 Å²	33	24 Å²	24	13%	0.125	15%	0.154	C	C	.	.	S	Bend	trans	-145.1	143.9	-166.4	-60.3	-64.4	177.3	-98.9	-0.1	110.9	P714 F720 E849 E853	P714-R716 VanDerWaalsContact C-N 3.29Å; P714-R716 HydrophobicContact CG-CB 4.16Å; R716-F720 HydrophobicContact CB-CD1 3.74Å; R716-F720 HydrophobicContact CB-CE1 4.22Å; R716-F720 HydrophobicContact CB-CG 4.41Å; R716-F720 HydrophobicContact CG-CD1 3.99Å; R716-F720 HydrophobicContact CG-CE1 3.96Å; R716-E849 PolarHBondContact NH2-O 2.76Å; R716-E853 IonicContact CZ-OE2 3.63Å; R716-E853 IonicContact NE-OE2 3.23Å; R716-E853 PolarHBondContact NE-OE2 3.39Å; R716-E853 IonicContact NH2-OE2 2.73Å; R716-E853 PolarHBondContact NH2-OE2 3.03Å
717	T	98.2	Very high	97.9	Very high	12 Å²	12	29.4 Å²	29.4	7%	0.074	19%	0.189	C	C	.	.			trans	-90.6	157.3	-165.4	59.4	0	0	0	0	113	A437 A719 F720 L721 Q850 M865	A437-T717 HydrophobicContact CB-CG2 3.33Å; T717-A719 PolarHBondContact O-N 2.92Å; T717-A719 VanDerWaalsContact O-N 3.14Å; T717-F720 WeakPolarHBondContact O-CB 3.42Å; T717-F720 PolarHBondContact O-N 3.45Å; T717-L721 PolarHBondContact O-N 3.4Å; T717-Q850 PolarHBondContact OG1-NE2 2.85Å; T717-Q850 PolarHBondContact OG1-OE1 3.37Å; T717-M865 HydrophobicContact CG2-CE 4.47Å
718	N	97.8	Very high	97.8	Very high	13 Å²	13	31.3 Å²	31.3	7%	0.07	20%	0.197	C	C	.	.	H	α-helix	trans	-48.8	-42.4	176	-86.3	-34.9	0	0	0	112.3	S436 L721 V722 V737 L738 E739	S436-N718 WeakPolarHBondContact OG-CB 3.34Å; S436-N718 PolarHBondContact OG-N 3.09Å; N718-L721 PolarHBondContact O-N 3.34Å; N718-V722 WeakPolarHBondContact O-CG2 3.43Å; N718-V722 PolarHBondContact O-N 3.09Å; N718-V722 VanDerWaalsContact O-N 3.11Å; N718-V737 WeakPolarHBondContact OD1-CA 3Å; N718-V737 VanDerWaalsContact OD1-CB 3.28Å; N718-V737 WeakPolarHBondContact OD1-CB 3.33Å; N718-V737 PolarHBondContact OD1-N 3.01Å; N718-L738 HydrophobicContact CB-CD1 4.41Å; N718-L738 WeakPolarHBondContact OD1-CB 3.39Å; N718-L738 WeakPolarHBondContact OD1-CG 3.39Å; N718-L738 PolarHBondContact OD1-N 3.41Å; N718-E739 VanDerWaalsContact ND2-CD 3.26Å; N718-E739 PolarHBondContact ND2-OE1 3.03Å; N718-E739 PolarHBondContact ND2-OE2 3.4Å
719	A	96.5	Very high	97.7	Very high	46 Å²	46	31.3 Å²	31.3	38%	0.38	20%	0.197	S	C	.	.	H	α-helix	trans	-60.8	-43.6	176.8	0	0	0	0	0	113.2	T717 A723	T717-A719 PolarHBondContact O-N 2.92Å; T717-A719 VanDerWaalsContact O-N 3.14Å; A719-A723 VanDerWaalsContact O-CB 3.3Å; A719-A723 WeakPolarHBondContact O-CB 3.27Å; A719-A723 PolarHBondContact O-N 3.11Å
720	F	98	Very high	97.7	Very high	11 Å²	11	35.9 Å²	35.9	5%	0.048	23%	0.225	C	C	.	.	H	α-helix	trans	-65.2	-44.4	176.8	177.5	-89.1	0	0	0	112.1	R716 T717 V722 A723 T724 Q850 E853 E854 L857	R716-F720 HydrophobicContact CB-CD1 3.74Å; R716-F720 HydrophobicContact CB-CE1 4.22Å; R716-F720 HydrophobicContact CB-CG 4.41Å; R716-F720 HydrophobicContact CG-CD1 3.99Å; R716-F720 HydrophobicContact CG-CE1 3.96Å; T717-F720 WeakPolarHBondContact O-CB 3.42Å; T717-F720 PolarHBondContact O-N 3.45Å; F720-V722 VanDerWaalsContact C-N 3.31Å; F720-V722 PolarHBondContact O-N 3.16Å; F720-A723 PolarHBondContact O-N 3.46Å; F720-T724 HydrophobicContact CD1-CG2 4.27Å; F720-T724 HydrophobicContact CD2-CG2 4.29Å; F720-T724 HydrophobicContact CE1-CG2 3.9Å; F720-T724 HydrophobicContact CE2-CG2 3.92Å; F720-T724 HydrophobicContact CG-CG2 4.45Å; F720-T724 HydrophobicContact CZ-CG2 3.71Å; F720-T724 WeakPolarHBondContact O-CB 3.43Å; F720-T724 WeakPolarHBondContact O-CG2 3.34Å; F720-T724 PolarHBondContact O-N 3.48Å; F720-T724 PolarHBondContact O-OG1 3.12Å; F720-Q850 HydrophobicContact CB-CG 4.35Å; F720-Q850 HydrophobicContact CD2-CG 3.71Å; F720-Q850 HydrophobicContact CE2-CG 4.24Å; F720-Q850 HydrophobicContact CG-CG 4.11Å; F720-E853 HydrophobicContact CE2-CG 4.43Å; F720-E853 HydrophobicContact CZ-CB 4.48Å; F720-E853 HydrophobicContact CZ-CG 3.97Å; F720-E854 HydrophobicContact CD2-CG 3.63Å; F720-E854 HydrophobicContact CE2-CG 3.67Å; F720-L857 HydrophobicContact CE2-CD1 4.3Å; F720-L857 HydrophobicContact CZ-CD1 4.08Å
721	L	97.9	Very high	97.7	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-61.6	-39.4	179.1	-64.3	179.9	0	0	0	111.9	T717 N718 T724 S725 A726 A729 V737 L738	T717-L721 PolarHBondContact O-N 3.4Å; N718-L721 PolarHBondContact O-N 3.34Å; L721-T724 PolarHBondContact O-OG1 3.47Å; L721-S725 PolarHBondContact O-N 2.91Å; L721-A726 HydrophobicContact CB-CB 4.11Å; L721-A726 HydrophobicContact CD2-CB 3.78Å; L721-A726 WeakPolarHBondContact O-CB 3.37Å; L721-A726 PolarHBondContact O-N 3.4Å; L721-A729 HydrophobicContact CB-CB 4.24Å; L721-A729 WeakPolarHBondContact O-CB 3.44Å; L721-V737 HydrophobicContact CD1-CG1 3.96Å; L721-L738 HydrophobicContact CD1-CD2 3.71Å; L721-L738 HydrophobicContact CD1-CG 3.96Å
722	V	97.6	Very high	97.6	Very high	50 Å²	50	41.4 Å²	41.4	30%	0.303	25%	0.253	S	S	.	.	H	α-helix	trans	-69.2	-48	174.6	174.7	0	0	0	0	110.9	N718 F720 T724 S725 A729 D734 V737	N718-V722 WeakPolarHBondContact O-CG2 3.43Å; N718-V722 PolarHBondContact O-N 3.09Å; N718-V722 VanDerWaalsContact O-N 3.11Å; F720-V722 VanDerWaalsContact C-N 3.31Å; F720-V722 PolarHBondContact O-N 3.16Å; V722-T724 VanDerWaalsContact C-N 3.32Å; V722-T724 PolarHBondContact O-N 3.25Å; V722-S725 PolarHBondContact O-N 3.4Å; V722-A729 HydrophobicContact CG2-CB 4.12Å; V722-D734 HydrophobicContact CG1-CB 4.21Å; V722-D734 HydrophobicContact CG2-CB 3.81Å; V722-V737 HydrophobicContact CG2-CG2 4.41Å
723	A	96.1	Very high	97.6	Very high	69 Å²	69	45 Å²	45	57%	0.57	27%	0.272	S	S	*	.	H	α-helix	trans	-61	-37.4	-178.8	0	0	0	0	0	113.4	A719 F720 S725	A719-A723 VanDerWaalsContact O-CB 3.3Å; A719-A723 WeakPolarHBondContact O-CB 3.27Å; A719-A723 PolarHBondContact O-N 3.11Å; F720-A723 PolarHBondContact O-N 3.46Å; A723-S725 VanDerWaalsContact C-N 3.32Å
724	T	97.1	Very high	97.6	Very high	47 Å²	47	48.6 Å²	48.6	29%	0.288	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-5	175.7	56.4	0	0	0	0	113.9	F720 L721 V722 A726 L857 L859	F720-T724 HydrophobicContact CD1-CG2 4.27Å; F720-T724 HydrophobicContact CD2-CG2 4.29Å; F720-T724 HydrophobicContact CE1-CG2 3.9Å; F720-T724 HydrophobicContact CE2-CG2 3.92Å; F720-T724 HydrophobicContact CG-CG2 4.45Å; F720-T724 HydrophobicContact CZ-CG2 3.71Å; F720-T724 WeakPolarHBondContact O-CB 3.43Å; F720-T724 WeakPolarHBondContact O-CG2 3.34Å; F720-T724 PolarHBondContact O-N 3.48Å; F720-T724 PolarHBondContact O-OG1 3.12Å; L721-T724 PolarHBondContact O-OG1 3.47Å; V722-T724 VanDerWaalsContact C-N 3.32Å; V722-T724 PolarHBondContact O-N 3.25Å; T724-A726 VanDerWaalsContact C-N 3.25Å; T724-A726 PolarHBondContact O-N 2.84Å; T724-L857 HydrophobicContact CG2-CD1 3.93Å; T724-L859 HydrophobicContact CG2-CD1 4.02Å
725	S	97.7	Very high	97.5	Very high	87 Å²	87	55.6 Å²	55.6	61%	0.608	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	40.7	-172.6	-57.3	0	0	0	0	112.8	L721 V722 A723	L721-S725 PolarHBondContact O-N 2.91Å; V722-S725 PolarHBondContact O-N 3.4Å; A723-S725 VanDerWaalsContact C-N 3.32Å
726	A	97.2	Very high	97.5	Very high	14 Å²	14	56.3 Å²	56.3	12%	0.116	32%	0.32	C	S	.	.			trans	-58.5	148.3	-178.6	0	0	0	0	0	111.6	L721 T724 Q728 A729 V730	L721-A726 HydrophobicContact CB-CB 4.11Å; L721-A726 HydrophobicContact CD2-CB 3.78Å; L721-A726 WeakPolarHBondContact O-CB 3.37Å; L721-A726 PolarHBondContact O-N 3.4Å; T724-A726 VanDerWaalsContact C-N 3.25Å; T724-A726 PolarHBondContact O-N 2.84Å; A726-Q728 PolarHBondContact O-N 2.91Å; A726-Q728 VanDerWaalsContact O-N 3.08Å; A726-A729 WeakPolarHBondContact O-CB 3.39Å; A726-A729 PolarHBondContact O-N 3.47Å; A726-V730 PolarHBondContact O-N 3.05Å; A726-V730 VanDerWaalsContact O-N 3.15Å
727	P	98.1	Very high	97.5	Very high	113 Å²	113	54.8 Å²	54.8	73%	0.734	31%	0.314	S	S	*	.	H	α-helix	trans	-55.2	-33.2	-176.6	-28.5	36	0	0	0	114.6	L731	P727-L731 WeakPolarHBondContact O-CB 3.42Å; P727-L731 PolarHBondContact O-N 2.96Å
728	Q	95.9	Very high	97.6	Very high	40 Å²	40	54.7 Å²	54.7	19%	0.187	31%	0.313	C	S	.	.	H	α-helix	trans	-66.1	-41.5	174.4	-69.9	163.6	-65.8	0	0	112.1	A726 L731 Y732 V737 H741	A726-Q728 PolarHBondContact O-N 2.91Å; A726-Q728 VanDerWaalsContact O-N 3.08Å; Q728-L731 WeakPolarHBondContact O-CB 3.24Å; Q728-L731 PolarHBondContact O-N 3.47Å; Q728-Y732 VanDerWaalsContact O-CD2 3.3Å; Q728-Y732 WeakPolarHBondContact O-CD2 3.28Å; Q728-Y732 PolarHBondContact O-N 2.85Å; Q728-V737 VanDerWaalsContact C-CG1 3.41Å; Q728-V737 HydrophobicContact CB-CG1 3.79Å; Q728-V737 WeakPolarHBondContact O-CG1 3.24Å; Q728-H741 PolarHBondContact NE2-CD2 2.96Å; Q728-H741 VanDerWaalsContact NE2-CD2 3.29Å; Q728-H741 PolarHBondContact NE2-CE1 2.98Å; Q728-H741 PolarHBondContact NE2-ND1 2.85Å; Q728-H741 VanDerWaalsContact NE2-ND1 3.16Å; Q728-H741 PolarHBondContact NE2-NE2 2.99Å
729	A	97.7	Very high	97.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.1	-41.7	178.3	0	0	0	0	0	111.6	L721 V722 A726 L731 Y732 N733 D734 V737	L721-A729 HydrophobicContact CB-CB 4.24Å; L721-A729 WeakPolarHBondContact O-CB 3.44Å; V722-A729 HydrophobicContact CG2-CB 4.12Å; A726-A729 WeakPolarHBondContact O-CB 3.39Å; A726-A729 PolarHBondContact O-N 3.47Å; A729-L731 PolarHBondContact O-N 2.91Å; A729-Y732 CarbonylContact O-C 3.59Å; A729-Y732 PolarHBondContact O-N 3.39Å; A729-N733 WeakPolarHBondContact O-CA 3.46Å; A729-N733 PolarHBondContact O-N 3.17Å; A729-D734 PolarHBondContact O-N 2.93Å; A729-D734 VanDerWaalsContact O-N 3.09Å; A729-V737 HydrophobicContact CB-CG1 4.16Å; A729-V737 HydrophobicContact CB-CG2 4.18Å
730	V	97.9	Very high	97.7	Very high	96 Å²	96	55 Å²	55	58%	0.582	31%	0.308	S	S	*	.	H	α-helix	trans	-63.1	-40	173.3	-178.7	0	0	0	0	111.6	A726	A726-V730 PolarHBondContact O-N 3.05Å; A726-V730 VanDerWaalsContact O-N 3.15Å
731	L	98.1	Very high	97.7	Very high	110 Å²	110	55.5 Å²	55.5	58%	0.576	31%	0.31	S	S	*	.	H	α-helix	trans	-64.6	-46.4	177.3	178.8	63.1	0	0	0	112.3	P727 Q728 A729 N733	P727-L731 WeakPolarHBondContact O-CB 3.42Å; P727-L731 PolarHBondContact O-N 2.96Å; Q728-L731 WeakPolarHBondContact O-CB 3.24Å; Q728-L731 PolarHBondContact O-N 3.47Å; A729-L731 PolarHBondContact O-N 2.91Å; L731-N733 PolarHBondContact O-ND2 2.97Å
732	Y	98.1	Very high	97.8	Very high	50 Å²	50	55.2 Å²	55.2	20%	0.196	31%	0.309	C	S	.	.	H	α-helix	trans	-92.8	6.9	-177.8	-61.8	-62.1	0	0	0	114.2	Q728 A729 D734 R735 V737 N740 H741	Q728-Y732 VanDerWaalsContact O-CD2 3.3Å; Q728-Y732 WeakPolarHBondContact O-CD2 3.28Å; Q728-Y732 PolarHBondContact O-N 2.85Å; A729-Y732 CarbonylContact O-C 3.59Å; A729-Y732 PolarHBondContact O-N 3.39Å; Y732-D734 PolarHBondContact O-N 3.47Å; Y732-R735 PolarHBondContact O-N 3.35Å; Y732-V737 HydrophobicContact CD2-CG1 4.22Å; Y732-V737 WeakPolarHBondContact CD2-O 3.47Å; Y732-N740 HydrophobicContact CD1-CB 3.52Å; Y732-N740 HydrophobicContact CD2-CB 4.2Å; Y732-N740 HydrophobicContact CE1-CB 3.7Å; Y732-N740 HydrophobicContact CE2-CB 4.36Å; Y732-N740 HydrophobicContact CG-CB 3.8Å; Y732-H741 HydrophobicContact CE2-CB 3.82Å
733	N	98	Very high	97.8	Very high	116 Å²	116	53.1 Å²	53.1	62%	0.62	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	46.5	173.6	-59.8	-111.1	0	0	0	112.6	A729 L731 R735	A729-N733 WeakPolarHBondContact O-CA 3.46Å; A729-N733 PolarHBondContact O-N 3.17Å; L731-N733 PolarHBondContact O-ND2 2.97Å; N733-R735 WeakPolarHBondContact O-CG 3.34Å; N733-R735 PolarHBondContact O-N 2.96Å; N733-R735 VanDerWaalsContact O-N 3.17Å
734	D	97.4	Very high	98	Very high	80 Å²	80	51.8 Å²	51.8	43%	0.428	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	22.1	177	-46.9	-38	0	0	0	115.7	V722 A729 Y732	V722-D734 HydrophobicContact CG1-CB 4.21Å; V722-D734 HydrophobicContact CG2-CB 3.81Å; A729-D734 PolarHBondContact O-N 2.93Å; A729-D734 VanDerWaalsContact O-N 3.09Å; Y732-D734 PolarHBondContact O-N 3.47Å
735	R	97.1	Very high	98	Very high	170 Å²	170	50.9 Å²	50.9	64%	0.642	28%	0.281	S	S	*	.	S	Bend	trans	-117.1	113.8	-179.2	-66.6	166.6	-172.4	-146.6	-1.5	110.5	Y732 N733 V737 N740	Y732-R735 PolarHBondContact O-N 3.35Å; N733-R735 WeakPolarHBondContact O-CG 3.34Å; N733-R735 PolarHBondContact O-N 2.96Å; N733-R735 VanDerWaalsContact O-N 3.17Å; R735-V737 PolarHBondContact O-N 3.04Å; R735-V737 VanDerWaalsContact O-N 3.16Å; R735-N740 PolarHBondContact O-ND2 2.97Å
736	S	97.2	Very high	98.1	Very high	18 Å²	18	46.8 Å²	46.8	13%	0.126	25%	0.252	C	S	.	.	S	Bend	trans	40.9	56.6	174.6	-42.9	0	0	0	0	111.1	E739 N740 D782	S736-E739 WeakPolarHBondContact CA-OE2 3.44Å; S736-E739 WeakPolarHBondContact CB-OE2 3.45Å; S736-E739 PolarHBondContact O-N 2.92Å; S736-N740 WeakPolarHBondContact O-CB 3.38Å; S736-N740 PolarHBondContact O-N 3.48Å; S736-N740 PolarHBondContact O-ND2 2.81Å; S736-D782 VanDerWaalsContact CB-OD2 3.31Å; S736-D782 WeakPolarHBondContact CB-OD2 3.47Å; S736-D782 PolarHBondContact OG-OD2 3.36Å
737	V	98.6	Very high	98.1	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-67.6	-42.4	-160.7	172.8	0	0	0	0	110.5	N718 L721 V722 Q728 A729 Y732 R735 E739 H741	N718-V737 WeakPolarHBondContact OD1-CA 3Å; N718-V737 VanDerWaalsContact OD1-CB 3.28Å; N718-V737 WeakPolarHBondContact OD1-CB 3.33Å; N718-V737 PolarHBondContact OD1-N 3.01Å; L721-V737 HydrophobicContact CD1-CG1 3.96Å; V722-V737 HydrophobicContact CG2-CG2 4.41Å; Q728-V737 VanDerWaalsContact C-CG1 3.41Å; Q728-V737 HydrophobicContact CB-CG1 3.79Å; Q728-V737 WeakPolarHBondContact O-CG1 3.24Å; A729-V737 HydrophobicContact CB-CG1 4.16Å; A729-V737 HydrophobicContact CB-CG2 4.18Å; Y732-V737 HydrophobicContact CD2-CG1 4.22Å; Y732-V737 WeakPolarHBondContact CD2-O 3.47Å; R735-V737 PolarHBondContact O-N 3.04Å; R735-V737 VanDerWaalsContact O-N 3.16Å; V737-E739 PolarHBondContact N-OE2 3.1Å; V737-H741 VanDerWaalsContact O-CB 3.32Å; V737-H741 WeakPolarHBondContact O-CB 3.46Å; V737-H741 PolarHBondContact O-N 3.31Å
738	L	98.7	Very high	98.1	Very high	10 Å²	10	46.5 Å²	46.5	5%	0.052	24%	0.243	C	C	.	.	H	α-helix	trans	-64.6	-54.2	173.2	-73.3	171.5	0	0	0	110.9	P714 N718 L721 N740 H741 H742	P714-L738 HydrophobicContact CG-CD2 3.71Å; N718-L738 HydrophobicContact CB-CD1 4.41Å; N718-L738 WeakPolarHBondContact OD1-CB 3.39Å; N718-L738 WeakPolarHBondContact OD1-CG 3.39Å; N718-L738 PolarHBondContact OD1-N 3.41Å; L721-L738 HydrophobicContact CD1-CD2 3.71Å; L721-L738 HydrophobicContact CD1-CG 3.96Å; L738-N740 VanDerWaalsContact C-N 3.33Å; L738-N740 PolarHBondContact O-N 3.37Å; L738-H741 CarbonylContact O-C 3.55Å; L738-H741 WeakPolarHBondContact O-CA 3.45Å; L738-H741 VanDerWaalsContact O-CB 3.27Å; L738-H741 WeakPolarHBondContact O-CB 3.4Å; L738-H741 PolarHBondContact O-N 3.47Å; L738-H742 WeakPolarHBondContact CB-NE2 3.28Å; L738-H742 PolarHBondContact O-CD2 2.93Å; L738-H742 PolarHBondContact O-N 3.38Å; L738-H742 PolarHBondContact O-NE2 3.34Å
739	E	98.8	Very high	98.2	Very high	14 Å²	14	45.6 Å²	45.6	7%	0.065	24%	0.239	C	C	.	.	H	α-helix	trans	-65.6	-36.5	-172.1	-54.1	81.5	175.7	0	0	111.7	N718 S736 V737 A743 I778 L779 D782	N718-E739 VanDerWaalsContact ND2-CD 3.26Å; N718-E739 PolarHBondContact ND2-OE1 3.03Å; N718-E739 PolarHBondContact ND2-OE2 3.4Å; S736-E739 WeakPolarHBondContact CA-OE2 3.44Å; S736-E739 WeakPolarHBondContact CB-OE2 3.45Å; S736-E739 PolarHBondContact O-N 2.92Å; V737-E739 PolarHBondContact N-OE2 3.1Å; E739-A743 WeakPolarHBondContact O-CB 3.49Å; E739-A743 PolarHBondContact O-N 2.87Å; E739-I778 HydrophobicContact CB-CG2 4.44Å; E739-I778 WeakPolarHBondContact O-CG2 3.32Å; E739-L779 HydrophobicContact CB-CD2 3.93Å; E739-D782 HydrophobicContact CG-CB 3.92Å; E739-D782 VanDerWaalsContact OE1-CA 3.28Å; E739-D782 WeakPolarHBondContact OE1-CA 3.36Å; E739-D782 WeakPolarHBondContact OE1-CB 3.19Å
740	N	98.7	Very high	98.2	Very high	51 Å²	51	46.1 Å²	46.1	27%	0.273	24%	0.241	S	C	.	.	H	α-helix	trans	-66.2	-40.6	168.3	-80.8	-84	0	0	0	112	Y732 R735 S736 L738 A744 L779	Y732-N740 HydrophobicContact CD1-CB 3.52Å; Y732-N740 HydrophobicContact CD2-CB 4.2Å; Y732-N740 HydrophobicContact CE1-CB 3.7Å; Y732-N740 HydrophobicContact CE2-CB 4.36Å; Y732-N740 HydrophobicContact CG-CB 3.8Å; R735-N740 PolarHBondContact O-ND2 2.97Å; S736-N740 WeakPolarHBondContact O-CB 3.38Å; S736-N740 PolarHBondContact O-N 3.48Å; S736-N740 PolarHBondContact O-ND2 2.81Å; L738-N740 VanDerWaalsContact C-N 3.33Å; L738-N740 PolarHBondContact O-N 3.37Å; N740-A744 WeakPolarHBondContact O-CB 3.46Å; N740-A744 PolarHBondContact O-N 2.93Å; N740-L779 HydrophobicContact CB-CD2 4.48Å
741	H	98.8	Very high	98.2	Very high	22 Å²	22	47 Å²	47	10%	0.102	24%	0.24	C	C	.	.	H	α-helix	trans	-64	-44.3	177.8	-178.8	77.9	0	0	0	112.3	D712 Q728 Y732 V737 L738 S745	D712-H741 IonicContact OD2-CD2 3.91Å; D712-H741 IonicContact OD2-CE1 3.37Å; D712-H741 IonicContact OD2-NE2 3.38Å; D712-H741 PolarHBondContact OD2-NE2 2.67Å; Q728-H741 PolarHBondContact NE2-CD2 2.96Å; Q728-H741 VanDerWaalsContact NE2-CD2 3.29Å; Q728-H741 PolarHBondContact NE2-CE1 2.98Å; Q728-H741 PolarHBondContact NE2-ND1 2.85Å; Q728-H741 VanDerWaalsContact NE2-ND1 3.16Å; Q728-H741 PolarHBondContact NE2-NE2 2.99Å; Y732-H741 HydrophobicContact CE2-CB 3.82Å; V737-H741 VanDerWaalsContact O-CB 3.32Å; V737-H741 WeakPolarHBondContact O-CB 3.46Å; V737-H741 PolarHBondContact O-N 3.31Å; L738-H741 CarbonylContact O-C 3.55Å; L738-H741 WeakPolarHBondContact O-CA 3.45Å; L738-H741 VanDerWaalsContact O-CB 3.27Å; L738-H741 WeakPolarHBondContact O-CB 3.4Å; L738-H741 PolarHBondContact O-N 3.47Å; H741-S745 PolarHBondContact CE1-OG 3.26Å; H741-S745 VanDerWaalsContact CE1-OG 3.27Å; H741-S745 WeakPolarHBondContact O-CB 3.27Å; H741-S745 PolarHBondContact O-N 3.27Å; H741-S745 PolarHBondContact O-OG 2.88Å
742	H	98.8	Very high	98.1	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.009	24%	0.236	C	C	.	.	H	α-helix	trans	-61.5	-54.4	178.7	-55.7	-33.5	0	0	0	110.6	H709 Y711 H713 L738 A744 S745 A746 I778	H709-H742 WeakPolarHBondContact O-CB 3.35Å; H709-H742 PolarHBondContact O-CD2 2.7Å; Y711-H742 PolarHBondContact O-ND1 2.96Å; H713-H742 AromaticContact CD2-CE1 3.94Å; H713-H742 AromaticContact CD2-NE2 3.65Å; L738-H742 WeakPolarHBondContact CB-NE2 3.28Å; L738-H742 PolarHBondContact O-CD2 2.93Å; L738-H742 PolarHBondContact O-N 3.38Å; L738-H742 PolarHBondContact O-NE2 3.34Å; H742-A744 PolarHBondContact O-N 3.23Å; H742-S745 PolarHBondContact O-N 3.38Å; H742-A746 VanDerWaalsContact O-CB 3.26Å; H742-A746 WeakPolarHBondContact O-CB 3.17Å; H742-A746 PolarHBondContact O-N 2.99Å; H742-I778 HydrophobicContact CB-CG2 4.44Å
743	A	98.7	Very high	97.9	Very high	5 Å²	5	45.6 Å²	45.6	4%	0.041	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-48.3	176.8	0	0	0	0	0	112.2	E739 W747 I778	E739-A743 WeakPolarHBondContact O-CB 3.49Å; E739-A743 PolarHBondContact O-N 2.87Å; A743-W747 WeakPolarHBondContact O-CB 3.31Å; A743-W747 PolarHBondContact O-N 3.08Å; A743-W747 VanDerWaalsContact O-N 3.08Å; A743-I778 HydrophobicContact CB-CB 4.32Å; A743-I778 HydrophobicContact CB-CD1 3.82Å; A743-I778 HydrophobicContact CB-CG2 4.09Å
744	A	98.6	Very high	97.7	Very high	42 Å²	42	44.6 Å²	44.6	35%	0.347	24%	0.24	S	C	.	.	H	α-helix	trans	-64.4	-42.6	-178.8	0	0	0	0	0	112.4	N740 H742 N748	N740-A744 WeakPolarHBondContact O-CB 3.46Å; N740-A744 PolarHBondContact O-N 2.93Å; H742-A744 PolarHBondContact O-N 3.23Å; A744-N748 VanDerWaalsContact O-CB 3.29Å; A744-N748 WeakPolarHBondContact O-CB 3.48Å; A744-N748 PolarHBondContact O-N 3.39Å
745	S	98.6	Very high	97.6	Very high	28 Å²	28	43 Å²	43	20%	0.196	23%	0.231	C	C	.	.	H	α-helix	trans	-74.7	-38.9	-176.3	-58.2	0	0	0	0	112.3	H741 H742 N748 L749	H741-S745 PolarHBondContact CE1-OG 3.26Å; H741-S745 VanDerWaalsContact CE1-OG 3.27Å; H741-S745 WeakPolarHBondContact O-CB 3.27Å; H741-S745 PolarHBondContact O-N 3.27Å; H741-S745 PolarHBondContact O-OG 2.88Å; H742-S745 PolarHBondContact O-N 3.38Å; S745-N748 PolarHBondContact O-N 2.92Å; S745-L749 PolarHBondContact O-N 3.02Å
746	A	98.6	Very high	97.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.6	-36.6	174.3	0	0	0	0	0	112.4	Y611 L615 M708 Y711 H742 F750	Y611-A746 PolarHBondContact OH-O 3.48Å; L615-A746 HydrophobicContact CD1-CB 3.96Å; M708-A746 HydrophobicContact CB-CB 3.75Å; M708-A746 HydrophobicContact CE-CB 4.17Å; M708-A746 HydrophobicContact CG-CB 4.05Å; M708-A746 HydrophobicContact SD-CB 3.56Å; M708-A746 VanDerWaalsContact SD-CB 3.56Å; Y711-A746 HydrophobicContact CD1-CB 4.1Å; Y711-A746 HydrophobicContact CG-CB 4.1Å; H742-A746 VanDerWaalsContact O-CB 3.26Å; H742-A746 WeakPolarHBondContact O-CB 3.17Å; H742-A746 PolarHBondContact O-N 2.99Å; A746-F750 PolarHBondContact O-N 3.39Å
747	W	98.6	Very high	97.6	Very high	5 Å²	5	37 Å²	37	2%	0.019	21%	0.21	C	C	.	.	H	α-helix	trans	-71	-32.4	171.5	-85.8	110.9	0	0	0	113.3	A743 F750 M751 L759 F767 F770 R771 V774	A743-W747 WeakPolarHBondContact O-CB 3.31Å; A743-W747 PolarHBondContact O-N 3.08Å; A743-W747 VanDerWaalsContact O-N 3.08Å; W747-F750 HydrophobicContact CE3-CB 4.26Å; W747-F750 AromaticContact CE3-CD1 3.93Å; W747-F750 HydrophobicContact CE3-CD1 3.93Å; W747-F750 HydrophobicContact CE3-CG 4.25Å; W747-F750 AromaticContact CZ3-CD1 3.66Å; W747-F750 HydrophobicContact CZ3-CD1 3.66Å; W747-F750 HydrophobicContact CZ3-CE1 4.02Å; W747-F750 HydrophobicContact CZ3-CG 4.11Å; W747-M751 WeakPolarHBondContact O-CG 3.2Å; W747-M751 PolarHBondContact O-N 3.1Å; W747-M751 VanDerWaalsContact O-N 3.14Å; W747-L759 HydrophobicContact CH2-CD1 4.49Å; W747-F767 HydrophobicContact CH2-CE2 4.24Å; W747-F767 HydrophobicContact CH2-CZ 4.27Å; W747-F767 AromaticContact CZ3-CE2 3.96Å; W747-F767 HydrophobicContact CZ3-CE2 3.96Å; W747-F767 AromaticContact CZ3-CZ 3.72Å; W747-F767 HydrophobicContact CZ3-CZ 3.72Å; W747-F770 AromaticContact CH2-CD1 3.87Å; W747-F770 HydrophobicContact CH2-CD1 3.87Å; W747-F770 AromaticContact CH2-CE1 3.74Å; W747-F770 HydrophobicContact CH2-CE1 3.74Å; W747-F770 HydrophobicContact CZ2-CD1 4.16Å; W747-F770 AromaticContact CZ2-CE1 3.96Å; W747-F770 HydrophobicContact CZ2-CE1 3.96Å; W747-R771 HydrophobicContact CD2-CG 4.11Å; W747-R771 HydrophobicContact CH2-CB 3.87Å; W747-R771 HydrophobicContact CH2-CG 4.14Å; W747-R771 HydrophobicContact CZ2-CB 3.69Å; W747-R771 HydrophobicContact CZ2-CG 3.71Å; W747-V774 HydrophobicContact CZ2-CB 4.12Å; W747-V774 HydrophobicContact CZ2-CG1 4.15Å; W747-V774 HydrophobicContact CZ2-CG2 4.25Å
748	N	98.3	Very high	97.6	Very high	117 Å²	117	37 Å²	37	63%	0.626	21%	0.21	S	C	*	.	H	α-helix	trans	-68.1	-41.9	172.4	-174.9	76.8	0	0	0	111.1	A744 S745 M751 S752	A744-N748 VanDerWaalsContact O-CB 3.29Å; A744-N748 WeakPolarHBondContact O-CB 3.48Å; A744-N748 PolarHBondContact O-N 3.39Å; S745-N748 PolarHBondContact O-N 2.92Å; N748-M751 PolarHBondContact O-N 3.2Å; N748-S752 WeakPolarHBondContact O-CB 3.31Å; N748-S752 PolarHBondContact O-N 2.8Å
749	L	97.8	Very high	97.6	Very high	21 Å²	21	36.9 Å²	36.9	11%	0.11	21%	0.209	C	C	.	.	H	α-helix	trans	-57.5	-50.6	171.8	176.6	65.7	0	0	0	110.9	Y611 A614 L615 Y711 S745 M751 S752 Y756	Y611-L749 HydrophobicContact CD2-CD2 4.47Å; Y611-L749 HydrophobicContact CD2-CG 4.41Å; Y611-L749 HydrophobicContact CE2-CB 4.41Å; Y611-L749 HydrophobicContact CE2-CD2 4.03Å; Y611-L749 HydrophobicContact CE2-CG 4.02Å; A614-L749 HydrophobicContact CB-CD1 4.11Å; A614-L749 HydrophobicContact CB-CD2 4.07Å; L615-L749 HydrophobicContact CB-CD2 4.29Å; L615-L749 HydrophobicContact CD1-CD2 4.28Å; Y711-L749 HydrophobicContact CE2-CD2 4.05Å; S745-L749 PolarHBondContact O-N 3.02Å; L749-M751 PolarHBondContact O-N 2.65Å; L749-S752 WeakPolarHBondContact O-CB 3.36Å; L749-S752 PolarHBondContact O-N 3.31Å; L749-S752 PolarHBondContact O-OG 3.36Å; L749-Y756 HydrophobicContact CD1-CE2 3.91Å; L749-Y756 VanDerWaalsContact O-CD2 3.3Å; L749-Y756 WeakPolarHBondContact O-CD2 3.44Å
750	F	98.1	Very high	97.5	Very high	10 Å²	10	40.1 Å²	40.1	4%	0.044	23%	0.23	C	C	.	.	H	α-helix	trans	-55.6	-39.5	178.7	178.9	-92.2	0	0	0	112.4	Y611 A746 W747 Y756 N757 F758 L759 F767	Y611-F750 HydrophobicContact CD1-CD2 4.45Å; Y611-F750 HydrophobicContact CD2-CB 4.19Å; Y611-F750 HydrophobicContact CD2-CD2 4.09Å; Y611-F750 HydrophobicContact CE1-CD2 4.41Å; Y611-F750 HydrophobicContact CE2-CB 3.55Å; Y611-F750 HydrophobicContact CE2-CD2 4.07Å; Y611-F750 HydrophobicContact CE2-CG 4.33Å; Y611-F750 HydrophobicContact CG-CD2 4.27Å; A746-F750 PolarHBondContact O-N 3.39Å; W747-F750 HydrophobicContact CE3-CB 4.26Å; W747-F750 AromaticContact CE3-CD1 3.93Å; W747-F750 HydrophobicContact CE3-CD1 3.93Å; W747-F750 HydrophobicContact CE3-CG 4.25Å; W747-F750 AromaticContact CZ3-CD1 3.66Å; W747-F750 HydrophobicContact CZ3-CD1 3.66Å; W747-F750 HydrophobicContact CZ3-CE1 4.02Å; W747-F750 HydrophobicContact CZ3-CG 4.11Å; F750-Y756 WeakPolarHBondContact CE2-O 3.31Å; F750-N757 HydrophobicContact CZ-CB 4.48Å; F750-N757 WeakPolarHBondContact CZ-OD1 3.37Å; F750-F758 HydrophobicContact CD2-CD1 4.22Å; F750-F758 HydrophobicContact CD2-CE1 4.01Å; F750-F758 AromaticContact CE2-CD1 3.68Å; F750-F758 HydrophobicContact CE2-CD1 3.68Å; F750-F758 AromaticContact CE2-CE1 3.7Å; F750-F758 HydrophobicContact CE2-CE1 3.7Å; F750-L759 HydrophobicContact CE2-CD1 4.11Å; F750-L759 HydrophobicContact CE2-CG 4.23Å; F750-L759 HydrophobicContact CZ-CB 4.05Å; F750-L759 HydrophobicContact CZ-CD1 3.92Å; F750-L759 HydrophobicContact CZ-CG 4.11Å; F750-F767 AromaticContact CE1-CE2 3.69Å; F750-F767 HydrophobicContact CE1-CE2 3.69Å; F750-F767 AromaticContact CE1-CZ 3.93Å; F750-F767 HydrophobicContact CE1-CZ 3.93Å; F750-F767 HydrophobicContact CZ-CE2 4.08Å
751	M	96.3	Very high	97.4	Very high	115 Å²	115	42 Å²	42	57%	0.567	24%	0.24	S	C	*	.	H	α-helix	trans	-84.6	-4.8	-179.7	-68.8	-177.1	153.7	0	0	114.4	W747 N748 L749 F767 R771	W747-M751 WeakPolarHBondContact O-CG 3.2Å; W747-M751 PolarHBondContact O-N 3.1Å; W747-M751 VanDerWaalsContact O-N 3.14Å; N748-M751 PolarHBondContact O-N 3.2Å; L749-M751 PolarHBondContact O-N 2.65Å; M751-F767 HydrophobicContact CE-CE1 4.16Å; M751-F767 HydrophobicContact CE-CZ 4.05Å; M751-R771 VanDerWaalsContact CE-NH1 3.34Å; M751-R771 PolarHBondContact SD-NH1 3.44Å
752	S	95.9	Very high	97.3	Very high	71 Å²	71	41.9 Å²	41.9	50%	0.497	24%	0.24	S	C	.	.	H	α-helix	trans	-77.9	-24	-173.2	67.9	0	0	0	0	114.8	N748 L749 Y756	N748-S752 WeakPolarHBondContact O-CB 3.31Å; N748-S752 PolarHBondContact O-N 2.8Å; L749-S752 WeakPolarHBondContact O-CB 3.36Å; L749-S752 PolarHBondContact O-N 3.31Å; L749-S752 PolarHBondContact O-OG 3.36Å; S752-Y756 WeakPolarHBondContact OG-CE2 3.38Å
753	H	93.9	Very high	97.1	Very high	59 Å²	59	44.7 Å²	44.7	27%	0.273	26%	0.255	S	S	.	.			trans	-150.1	138.4	-177.4	-161.6	-93.3	0	0	0	111.7	D755 Y756	H753-D755 VanDerWaalsContact C-N 3.3Å; H753-D755 IonicContact CE1-OD1 3.51Å; H753-D755 PolarHBondContact CE1-OD1 3.34Å; H753-D755 WeakPolarHBondContact ND1-CB 3.23Å; H753-D755 PolarHBondContact ND1-N 3.5Å; H753-D755 IonicContact ND1-OD1 2.81Å; H753-D755 PolarHBondContact O-N 2.93Å; H753-Y756 HydrophobicContact CB-CD2 3.66Å; H753-Y756 HydrophobicContact CB-CE2 3.69Å; H753-Y756 HydrophobicContact CB-CG 4.35Å; H753-Y756 PolarHBondContact O-N 3.43Å; H753-Y756 VanDerWaalsContact O-N 3.12Å
754	P	94.3	Very high	97	Very high	96 Å²	96	52.7 Å²	52.7	62%	0.623	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-61.1	-35	-178.6	23.8	-34.6	0	0	0	113.3	Y756 N757	P754-Y756 PolarHBondContact O-N 2.97Å; P754-N757 WeakPolarHBondContact O-CB 3.34Å; P754-N757 PolarHBondContact O-N 3.45Å
755	D	95.5	Very high	96.9	Very high	45 Å²	45	55.8 Å²	55.8	24%	0.241	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-65.7	2.1	176.1	-67.8	48.1	0	0	0	114.7	L545 K606 E607 N610 H753	L545-D755 HydrophobicContact CD2-CB 3.93Å; K606-D755 IonicContact NZ-OD2 3.59Å; K606-D755 PolarHBondContact NZ-OD2 3.08Å; E607-D755 VanDerWaalsContact CA-O 3.27Å; E607-D755 WeakPolarHBondContact CA-O 3.37Å; N610-D755 VanDerWaalsContact CB-O 3.27Å; N610-D755 WeakPolarHBondContact CB-O 3.33Å; N610-D755 PolarHBondContact ND2-O 3.09Å; H753-D755 VanDerWaalsContact C-N 3.3Å; H753-D755 IonicContact CE1-OD1 3.51Å; H753-D755 PolarHBondContact CE1-OD1 3.34Å; H753-D755 WeakPolarHBondContact ND1-CB 3.23Å; H753-D755 PolarHBondContact ND1-N 3.5Å; H753-D755 IonicContact ND1-OD1 2.81Å; H753-D755 PolarHBondContact O-N 2.93Å
756	Y	97.5	Very high	96.8	Very high	8 Å²	8	56.2 Å²	56.2	3%	0.031	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-101.6	-7.6	168.5	-59.1	-36.6	0	0	0	113.3	I544 N610 Y611 A614 L749 F750 S752 H753 P754 F758	I544-Y756 PolarHBondContact N-OH 3.35Å; N610-Y756 HydrophobicContact CB-CD1 3.8Å; N610-Y756 HydrophobicContact CB-CE1 4.1Å; Y611-Y756 HydrophobicContact CD2-CG 4.33Å; A614-Y756 HydrophobicContact CB-CE1 3.8Å; L749-Y756 HydrophobicContact CD1-CE2 3.91Å; L749-Y756 VanDerWaalsContact O-CD2 3.3Å; L749-Y756 WeakPolarHBondContact O-CD2 3.44Å; F750-Y756 WeakPolarHBondContact CE2-O 3.31Å; S752-Y756 WeakPolarHBondContact OG-CE2 3.38Å; H753-Y756 HydrophobicContact CB-CD2 3.66Å; H753-Y756 HydrophobicContact CB-CE2 3.69Å; H753-Y756 HydrophobicContact CB-CG 4.35Å; H753-Y756 PolarHBondContact O-N 3.43Å; H753-Y756 VanDerWaalsContact O-N 3.12Å; P754-Y756 PolarHBondContact O-N 2.97Å; Y756-F758 VanDerWaalsContact C-N 3.25Å; Y756-F758 PolarHBondContact O-N 2.9Å
757	N	97.5	Very high	96.8	Very high	55 Å²	55	58.2 Å²	58.2	29%	0.294	31%	0.313	S	S	.	.			trans	-79.3	67	-172.6	-173.2	17.8	0	0	0	112.8	F750 P754 L759 V760	F750-N757 HydrophobicContact CZ-CB 4.48Å; F750-N757 WeakPolarHBondContact CZ-OD1 3.37Å; P754-N757 WeakPolarHBondContact O-CB 3.34Å; P754-N757 PolarHBondContact O-N 3.45Å; N757-L759 PolarHBondContact O-N 3.38Å; N757-L759 VanDerWaalsContact O-N 3.12Å; N757-V760 WeakPolarHBondContact O-CB 3.13Å; N757-V760 PolarHBondContact O-N 2.8Å; N757-V760 PolarHBondContact OD1-N 2.83Å
758	F	98.4	Very high	96.7	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.009	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-6.6	176.3	78.6	-93.4	0	0	0	113.9	I603 P604 E607 F608 Y611 F612 V704 F750 Y756	I603-F758 HydrophobicContact CD1-CD2 4.38Å; I603-F758 HydrophobicContact CG1-CD2 4.44Å; I603-F758 HydrophobicContact CG2-CB 3.99Å; I603-F758 HydrophobicContact CG2-CD2 3.76Å; I603-F758 HydrophobicContact CG2-CG 4.35Å; P604-F758 WeakPolarHBondContact CD-O 3.34Å; E607-F758 HydrophobicContact CB-CB 4.26Å; F608-F758 HydrophobicContact CB-CB 3.87Å; F608-F758 HydrophobicContact CB-CG 4.31Å; F608-F758 AromaticContact CD2-CD2 3.85Å; F608-F758 HydrophobicContact CD2-CD2 3.85Å; F608-F758 HydrophobicContact CD2-CE2 4.17Å; F608-F758 HydrophobicContact CD2-CG 4.18Å; Y611-F758 AromaticContact CD1-CD1 3.92Å; Y611-F758 HydrophobicContact CD1-CD1 3.92Å; Y611-F758 AromaticContact CD1-CE1 3.45Å; Y611-F758 HydrophobicContact CD1-CE1 3.45Å; Y611-F758 VanDerWaalsContact CD1-CE1 3.45Å; Y611-F758 HydrophobicContact CD1-CZ 4.49Å; Y611-F758 AromaticContact CE1-CE1 3.93Å; Y611-F758 HydrophobicContact CE1-CE1 3.93Å; Y611-F758 HydrophobicContact CG-CD1 4.21Å; Y611-F758 HydrophobicContact CG-CE1 4.15Å; F612-F758 HydrophobicContact CE2-CE1 4.23Å; F612-F758 HydrophobicContact CE2-CZ 4.12Å; V704-F758 HydrophobicContact CG2-CZ 4.23Å; F750-F758 HydrophobicContact CD2-CD1 4.22Å; F750-F758 HydrophobicContact CD2-CE1 4.01Å; F750-F758 AromaticContact CE2-CD1 3.68Å; F750-F758 HydrophobicContact CE2-CD1 3.68Å; F750-F758 AromaticContact CE2-CE1 3.7Å; F750-F758 HydrophobicContact CE2-CE1 3.7Å; Y756-F758 VanDerWaalsContact C-N 3.25Å; Y756-F758 PolarHBondContact O-N 2.9Å
759	L	97.9	Very high	96.7	Very high	6 Å²	6	62.1 Å²	62.1	3%	0.031	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	14.6	178.1	-58.3	173.3	0	0	0	112.8	M700 W747 F750 N757 N761 L762 F767 F770	M700-L759 HydrophobicContact CE-CD2 4.08Å; W747-L759 HydrophobicContact CH2-CD1 4.49Å; F750-L759 HydrophobicContact CE2-CD1 4.11Å; F750-L759 HydrophobicContact CE2-CG 4.23Å; F750-L759 HydrophobicContact CZ-CB 4.05Å; F750-L759 HydrophobicContact CZ-CD1 3.92Å; F750-L759 HydrophobicContact CZ-CG 4.11Å; N757-L759 PolarHBondContact O-N 3.38Å; N757-L759 VanDerWaalsContact O-N 3.12Å; L759-N761 PolarHBondContact O-N 3.15Å; L759-L762 HydrophobicContact CB-CD1 4.24Å; L759-L762 HydrophobicContact CB-CG 4.4Å; L759-L762 HydrophobicContact CD2-CD1 3.95Å; L759-L762 HydrophobicContact CD2-CG 4.42Å; L759-L762 PolarHBondContact O-N 2.87Å; L759-F767 HydrophobicContact CB-CD2 4.11Å; L759-F767 HydrophobicContact CB-CE2 4.33Å; L759-F767 HydrophobicContact CD1-CD2 4.13Å; L759-F767 HydrophobicContact CD1-CE2 4Å; L759-F770 HydrophobicContact CD1-CD1 3.7Å; L759-F770 HydrophobicContact CD1-CE1 3.36Å; L759-F770 HydrophobicContact CD1-CZ 4.01Å
760	V	96.8	Very high	96.8	Very high	82 Å²	82	61.1 Å²	61.1	50%	0.497	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-22.6	-178	65.7	0	0	0	0	114.8	P604 N757	P604-V760 HydrophobicContact CG-CG1 4.11Å; N757-V760 WeakPolarHBondContact O-CB 3.13Å; N757-V760 PolarHBondContact O-N 2.8Å; N757-V760 PolarHBondContact OD1-N 2.83Å
761	N	96.9	Very high	96.8	Very high	92 Å²	92	64.2 Å²	64.2	49%	0.492	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-0.9	-179.1	-70.1	-42.6	0	0	0	114.7	K602 L759	K602-N761 HydrophobicContact CB-CB 4.2Å; K602-N761 PolarHBondContact O-ND2 2.89Å; L759-N761 PolarHBondContact O-N 3.15Å
762	L	96.3	Very high	96.9	Very high	19 Å²	19	63 Å²	63	10%	0.099	32%	0.322	C	S	.	.	S	Bend	trans	-78.3	145.8	168.8	-66.1	-170.7	0	0	0	110.9	F601 L697 M700 L759 E766 F767 F770	F601-L762 HydrophobicContact CB-CD2 4.16Å; F601-L762 HydrophobicContact CD1-CD2 3.47Å; F601-L762 VanDerWaalsContact CD1-CD2 3.47Å; F601-L762 HydrophobicContact CE1-CD2 4.16Å; F601-L762 HydrophobicContact CG-CD2 4.04Å; L697-L762 HydrophobicContact CD1-CD1 4.19Å; L697-L762 HydrophobicContact CD1-CD2 4.45Å; M700-L762 HydrophobicContact CE-CD1 4.26Å; L759-L762 HydrophobicContact CB-CD1 4.24Å; L759-L762 HydrophobicContact CB-CG 4.4Å; L759-L762 HydrophobicContact CD2-CD1 3.95Å; L759-L762 HydrophobicContact CD2-CG 4.42Å; L759-L762 PolarHBondContact O-N 2.87Å; L762-E766 HydrophobicContact CB-CB 4.11Å; L762-E766 HydrophobicContact CD2-CB 4.36Å; L762-F767 HydrophobicContact CB-CB 4.29Å; L762-F770 HydrophobicContact CD1-CB 4.41Å
763	D	95.3	Very high	97.1	Very high	61 Å²	61	60 Å²	60	33%	0.326	30%	0.3	S	S	.	.			trans	-72.9	167.3	170.9	93.6	16.6	0	0	0	112.5	V765 E766 F767	D763-V765 PolarHBondContact O-N 3.42Å; D763-V765 VanDerWaalsContact OD1-CA 3.27Å; D763-V765 WeakPolarHBondContact OD1-CA 3.17Å; D763-V765 VanDerWaalsContact OD1-CB 3.25Å; D763-V765 WeakPolarHBondContact OD1-CB 3.32Å; D763-V765 PolarHBondContact OD1-N 3.34Å; D763-E766 PolarHBondContact N-OE2 3.46Å; D763-E766 PolarHBondContact O-N 3.29Å; D763-E766 PolarHBondContact OD1-N 2.95Å; D763-F767 WeakPolarHBondContact O-CB 3.22Å; D763-F767 PolarHBondContact O-N 3.44Å
764	H	95.4	Very high	97.3	Very high	173 Å²	173	57.2 Å²	57.2	80%	0.801	29%	0.287	S	S	*	.	H	α-helix	trans	-66.4	-19	-177.9	-82.2	-35.9	0	0	0	114.9	K768	H764-K768 VanDerWaalsContact O-CB 3.23Å; H764-K768 WeakPolarHBondContact O-CB 3.32Å
765	V	97.3	Very high	97.5	Very high	106 Å²	106	54.7 Å²	54.7	64%	0.642	27%	0.268	S	S	*	.	H	α-helix	trans	-83.6	-47.4	173.7	-173.3	0	0	0	0	109.6	D763 K768 R769	D763-V765 PolarHBondContact O-N 3.42Å; D763-V765 VanDerWaalsContact OD1-CA 3.27Å; D763-V765 WeakPolarHBondContact OD1-CA 3.17Å; D763-V765 VanDerWaalsContact OD1-CB 3.25Å; D763-V765 WeakPolarHBondContact OD1-CB 3.32Å; D763-V765 PolarHBondContact OD1-N 3.34Å; V765-K768 PolarHBondContact O-N 3.17Å; V765-R769 WeakPolarHBondContact O-CB 3.17Å; V765-R769 PolarHBondContact O-N 3.42Å
766	E	96.2	Very high	97.7	Very high	37 Å²	37	55.4 Å²	55.4	17%	0.173	27%	0.27	C	S	.	.	H	α-helix	trans	-58.5	-52.6	175.6	-68.1	177.9	139.8	0	0	111.4	H671 L697 L762 D763 K768 R769 F770	H671-E766 IonicContact CD2-OE1 3.74Å; L697-E766 HydrophobicContact CD2-CB 4.3Å; L697-E766 HydrophobicContact CD2-CG 4.48Å; L762-E766 HydrophobicContact CB-CB 4.11Å; L762-E766 HydrophobicContact CD2-CB 4.36Å; D763-E766 PolarHBondContact N-OE2 3.46Å; D763-E766 PolarHBondContact O-N 3.29Å; D763-E766 PolarHBondContact OD1-N 2.95Å; E766-K768 PolarHBondContact O-N 3.14Å; E766-R769 PolarHBondContact O-N 3.02Å; E766-F770 VanDerWaalsContact O-CB 3.23Å; E766-F770 WeakPolarHBondContact O-CB 3.22Å; E766-F770 PolarHBondContact O-N 3.39Å
767	F	98.1	Very high	97.7	Very high	42 Å²	42	55.2 Å²	55.2	18%	0.184	27%	0.27	C	S	.	.	H	α-helix	trans	-58.4	-37.2	177.2	179.2	-95.2	0	0	0	112.3	W747 F750 M751 L759 L762 D763 R771	W747-F767 HydrophobicContact CH2-CE2 4.24Å; W747-F767 HydrophobicContact CH2-CZ 4.27Å; W747-F767 AromaticContact CZ3-CE2 3.96Å; W747-F767 HydrophobicContact CZ3-CE2 3.96Å; W747-F767 AromaticContact CZ3-CZ 3.72Å; W747-F767 HydrophobicContact CZ3-CZ 3.72Å; F750-F767 AromaticContact CE1-CE2 3.69Å; F750-F767 HydrophobicContact CE1-CE2 3.69Å; F750-F767 AromaticContact CE1-CZ 3.93Å; F750-F767 HydrophobicContact CE1-CZ 3.93Å; F750-F767 HydrophobicContact CZ-CE2 4.08Å; M751-F767 HydrophobicContact CE-CE1 4.16Å; M751-F767 HydrophobicContact CE-CZ 4.05Å; L759-F767 HydrophobicContact CB-CD2 4.11Å; L759-F767 HydrophobicContact CB-CE2 4.33Å; L759-F767 HydrophobicContact CD1-CD2 4.13Å; L759-F767 HydrophobicContact CD1-CE2 4Å; L762-F767 HydrophobicContact CB-CB 4.29Å; D763-F767 WeakPolarHBondContact O-CB 3.22Å; D763-F767 PolarHBondContact O-N 3.44Å; F767-R771 WeakPolarHBondContact O-CB 3.42Å; F767-R771 PolarHBondContact O-N 3.5Å
768	K	98	Very high	97.8	Very high	159 Å²	159	52.6 Å²	52.6	69%	0.691	26%	0.256	S	S	*	.	H	α-helix	trans	-71.3	-41.9	177.5	-177.9	-171.8	172.6	-163.2	0	112	H764 V765 E766 F772	H764-K768 VanDerWaalsContact O-CB 3.23Å; H764-K768 WeakPolarHBondContact O-CB 3.32Å; V765-K768 PolarHBondContact O-N 3.17Å; E766-K768 PolarHBondContact O-N 3.14Å; K768-F772 WeakPolarHBondContact O-CB 3.3Å; K768-F772 PolarHBondContact O-N 3.3Å
769	R	98.1	Very high	97.8	Very high	46 Å²	46	53.9 Å²	53.9	17%	0.174	26%	0.263	C	S	.	.	H	α-helix	trans	-64	-47.4	174.7	172	59.7	177.9	179.4	2.5	110.3	L697 E698 V765 E766 R771 F772 L773 E810	L697-R769 HydrophobicContact CD2-CB 4.42Å; L697-R769 HydrophobicContact CD2-CG 4.09Å; E698-R769 IonicContact OE1-CZ 2.9Å; E698-R769 IonicContact OE1-NE 3.19Å; E698-R769 IonicContact OE1-NH2 3.96Å; E698-R769 PolarHBondContact OE1-NH2 3.27Å; V765-R769 WeakPolarHBondContact O-CB 3.17Å; V765-R769 PolarHBondContact O-N 3.42Å; E766-R769 PolarHBondContact O-N 3.02Å; R769-R771 PolarHBondContact O-N 3.4Å; R769-F772 WeakPolarHBondContact O-CB 3.38Å; R769-F772 PolarHBondContact O-N 3.07Å; R769-L773 HydrophobicContact CG-CD1 3.84Å; R769-L773 WeakPolarHBondContact O-CD1 3.23Å; R769-L773 VanDerWaalsContact O-CG 3.25Å; R769-L773 WeakPolarHBondContact O-CG 3.15Å; R769-L773 PolarHBondContact O-N 3.03Å; R769-E810 IonicContact CZ-OE2 3.88Å; R769-E810 IonicContact NE-OE2 2.7Å; R769-E810 IonicContact NH1-OE2 3.99Å; R769-E810 PolarHBondContact NH1-OE2 3.02Å; R769-E810 IonicContact NH2-OE2 2.92Å; R769-E810 PolarHBondContact NH2-OE2 2.99Å
770	F	98.8	Very high	97.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-54.7	-51.5	173.6	177.2	-92.8	0	0	0	112	L697 M700 A701 V704 W747 L759 L762 E766 F772 L773 V774	L697-F770 HydrophobicContact CD1-CB 4.08Å; L697-F770 HydrophobicContact CD1-CD2 4.13Å; M700-F770 HydrophobicContact CB-CE2 4.24Å; M700-F770 HydrophobicContact CE-CD2 3.81Å; M700-F770 HydrophobicContact CE-CE2 3.75Å; M700-F770 HydrophobicContact CG-CE2 3.91Å; M700-F770 HydrophobicContact SD-CE2 4.49Å; A701-F770 VanDerWaalsContact CA-CE2 3.5Å; A701-F770 HydrophobicContact CB-CD2 3.82Å; A701-F770 HydrophobicContact CB-CE2 3.92Å; V704-F770 HydrophobicContact CB-CE2 4.45Å; V704-F770 HydrophobicContact CB-CZ 3.83Å; V704-F770 HydrophobicContact CG1-CE1 4.41Å; V704-F770 HydrophobicContact CG1-CZ 3.84Å; V704-F770 HydrophobicContact CG2-CE2 4.39Å; V704-F770 HydrophobicContact CG2-CZ 3.9Å; W747-F770 AromaticContact CH2-CD1 3.87Å; W747-F770 HydrophobicContact CH2-CD1 3.87Å; W747-F770 AromaticContact CH2-CE1 3.74Å; W747-F770 HydrophobicContact CH2-CE1 3.74Å; W747-F770 HydrophobicContact CZ2-CD1 4.16Å; W747-F770 AromaticContact CZ2-CE1 3.96Å; W747-F770 HydrophobicContact CZ2-CE1 3.96Å; L759-F770 HydrophobicContact CD1-CD1 3.7Å; L759-F770 HydrophobicContact CD1-CE1 3.36Å; L759-F770 HydrophobicContact CD1-CZ 4.01Å; L762-F770 HydrophobicContact CD1-CB 4.41Å; E766-F770 VanDerWaalsContact O-CB 3.23Å; E766-F770 WeakPolarHBondContact O-CB 3.22Å; E766-F770 PolarHBondContact O-N 3.39Å; F770-F772 VanDerWaalsContact C-N 3.32Å; F770-F772 PolarHBondContact O-N 2.95Å; F770-L773 PolarHBondContact O-N 3.33Å; F770-V774 HydrophobicContact CD1-CG2 4.21Å; F770-V774 HydrophobicContact CE1-CG2 3.74Å; F770-V774 HydrophobicContact CE2-CG2 4.19Å; F770-V774 HydrophobicContact CZ-CG2 3.74Å; F770-V774 WeakPolarHBondContact O-CG2 3.48Å; F770-V774 PolarHBondContact O-N 3.18Å
771	R	98.8	Very high	97.9	Very high	74 Å²	74	50.1 Å²	50.1	28%	0.279	24%	0.24	S	C	.	.	H	α-helix	trans	-61.6	-38.2	178.3	175.9	163.1	-179.4	146	1.4	113.1	W747 M751 F767 R769 I775	W747-R771 HydrophobicContact CD2-CG 4.11Å; W747-R771 HydrophobicContact CH2-CB 3.87Å; W747-R771 HydrophobicContact CH2-CG 4.14Å; W747-R771 HydrophobicContact CZ2-CB 3.69Å; W747-R771 HydrophobicContact CZ2-CG 3.71Å; M751-R771 VanDerWaalsContact CE-NH1 3.34Å; M751-R771 PolarHBondContact SD-NH1 3.44Å; F767-R771 WeakPolarHBondContact O-CB 3.42Å; F767-R771 PolarHBondContact O-N 3.5Å; R769-R771 PolarHBondContact O-N 3.4Å; R771-I775 HydrophobicContact CG-CD1 3.86Å; R771-I775 WeakPolarHBondContact O-CD1 3.27Å; R771-I775 VanDerWaalsContact O-CG1 3.27Å; R771-I775 WeakPolarHBondContact O-CG1 3.25Å; R771-I775 PolarHBondContact O-N 3.27Å
772	F	98.8	Very high	98	Very high	91 Å²	91	45.8 Å²	45.8	40%	0.399	22%	0.217	S	C	.	.	H	α-helix	trans	-61.4	-51.3	173.2	166.8	-101.5	0	0	0	111.2	K768 R769 F770 V774 I775 E776 L814	K768-F772 WeakPolarHBondContact O-CB 3.3Å; K768-F772 PolarHBondContact O-N 3.3Å; R769-F772 WeakPolarHBondContact O-CB 3.38Å; R769-F772 PolarHBondContact O-N 3.07Å; F770-F772 VanDerWaalsContact C-N 3.32Å; F770-F772 PolarHBondContact O-N 2.95Å; F772-V774 PolarHBondContact O-N 3.31Å; F772-I775 PolarHBondContact O-N 2.71Å; F772-I775 VanDerWaalsContact O-N 3.12Å; F772-E776 HydrophobicContact CD1-CG 4.49Å; F772-E776 HydrophobicContact CD2-CG 3.93Å; F772-E776 HydrophobicContact CE1-CG 4.09Å; F772-E776 HydrophobicContact CE2-CG 3.45Å; F772-E776 VanDerWaalsContact CE2-CG 3.45Å; F772-E776 HydrophobicContact CG-CG 4.43Å; F772-E776 HydrophobicContact CZ-CG 3.55Å; F772-E776 WeakPolarHBondContact O-CG 3.33Å; F772-E776 PolarHBondContact O-N 2.74Å; F772-L814 HydrophobicContact CE1-CD2 4.12Å; F772-L814 HydrophobicContact CZ-CD2 4.28Å
773	L	98.8	Very high	97.9	Very high	7 Å²	7	46 Å²	46	4%	0.037	22%	0.218	C	C	.	.	H	α-helix	trans	-57.8	-44.1	179.3	-70.2	161	0	0	0	112.9	E698 A701 R769 F770 I775 E776 A777 L814	E698-L773 HydrophobicContact CB-CD1 4.39Å; E698-L773 HydrophobicContact CG-CD1 3.62Å; E698-L773 HydrophobicContact CG-CD2 4.06Å; E698-L773 HydrophobicContact CG-CG 4.5Å; A701-L773 HydrophobicContact CB-CB 3.45Å; A701-L773 VanDerWaalsContact CB-CB 3.45Å; A701-L773 HydrophobicContact CB-CD1 4.12Å; A701-L773 HydrophobicContact CB-CG 4.43Å; R769-L773 HydrophobicContact CG-CD1 3.84Å; R769-L773 WeakPolarHBondContact O-CD1 3.23Å; R769-L773 VanDerWaalsContact O-CG 3.25Å; R769-L773 WeakPolarHBondContact O-CG 3.15Å; R769-L773 PolarHBondContact O-N 3.03Å; F770-L773 PolarHBondContact O-N 3.33Å; L773-I775 VanDerWaalsContact C-N 3.33Å; L773-I775 PolarHBondContact O-N 3.25Å; L773-E776 PolarHBondContact O-N 2.84Å; L773-A777 WeakPolarHBondContact O-CB 3.34Å; L773-A777 PolarHBondContact O-N 3.14Å; L773-L814 HydrophobicContact CD2-CD1 4.07Å
774	V	98.9	Very high	97.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.3	-44.6	175.9	170.2	0	0	0	0	111	A701 V704 A705 M708 W747 F770 F772 A777 I778	A701-V774 HydrophobicContact CB-CG2 3.91Å; V704-V774 HydrophobicContact CB-CG2 4.44Å; V704-V774 HydrophobicContact CG1-CG2 4.32Å; A705-V774 HydrophobicContact CB-CG1 4.29Å; M708-V774 HydrophobicContact CE-CG1 4.42Å; M708-V774 HydrophobicContact SD-CG1 3.67Å; W747-V774 HydrophobicContact CZ2-CB 4.12Å; W747-V774 HydrophobicContact CZ2-CG1 4.15Å; W747-V774 HydrophobicContact CZ2-CG2 4.25Å; F770-V774 HydrophobicContact CD1-CG2 4.21Å; F770-V774 HydrophobicContact CE1-CG2 3.74Å; F770-V774 HydrophobicContact CE2-CG2 4.19Å; F770-V774 HydrophobicContact CZ-CG2 3.74Å; F770-V774 WeakPolarHBondContact O-CG2 3.48Å; F770-V774 PolarHBondContact O-N 3.18Å; F772-V774 PolarHBondContact O-N 3.31Å; V774-A777 PolarHBondContact O-N 3.3Å; V774-I778 HydrophobicContact CG1-CD1 3.78Å; V774-I778 WeakPolarHBondContact O-CD1 3.44Å; V774-I778 VanDerWaalsContact O-CG1 3.24Å; V774-I778 WeakPolarHBondContact O-CG1 3.43Å; V774-I778 PolarHBondContact O-N 2.83Å; V774-I778 VanDerWaalsContact O-N 3.12Å
775	I	98.9	Very high	97.7	Very high	44 Å²	44	43.6 Å²	43.6	23%	0.226	20%	0.202	C	C	.	.	H	α-helix	trans	-67.6	-44.4	-179.7	-69.1	167.2	0	0	0	111.2	R771 F772 L773 A777 I778 L779	R771-I775 HydrophobicContact CG-CD1 3.86Å; R771-I775 WeakPolarHBondContact O-CD1 3.27Å; R771-I775 VanDerWaalsContact O-CG1 3.27Å; R771-I775 WeakPolarHBondContact O-CG1 3.25Å; R771-I775 PolarHBondContact O-N 3.27Å; F772-I775 PolarHBondContact O-N 2.71Å; F772-I775 VanDerWaalsContact O-N 3.12Å; L773-I775 VanDerWaalsContact C-N 3.33Å; L773-I775 PolarHBondContact O-N 3.25Å; I775-A777 VanDerWaalsContact C-N 3.31Å; I775-A777 PolarHBondContact O-N 3.32Å; I775-I778 PolarHBondContact O-N 2.85Å; I775-L779 HydrophobicContact CG2-CD1 3.68Å; I775-L779 HydrophobicContact CG2-CG 4.18Å; I775-L779 WeakPolarHBondContact O-CB 3.38Å; I775-L779 WeakPolarHBondContact O-CG 3.3Å; I775-L779 PolarHBondContact O-N 3.27Å
776	E	98.8	Very high	97.6	Very high	60 Å²	60	38.6 Å²	38.6	28%	0.28	17%	0.172	S	C	.	.	H	α-helix	trans	-66.7	-30.2	178.6	-67.3	-58.3	137.7	0	0	112.9	F772 L773 A780 L814 Q818	F772-E776 HydrophobicContact CD1-CG 4.49Å; F772-E776 HydrophobicContact CD2-CG 3.93Å; F772-E776 HydrophobicContact CE1-CG 4.09Å; F772-E776 HydrophobicContact CE2-CG 3.45Å; F772-E776 VanDerWaalsContact CE2-CG 3.45Å; F772-E776 HydrophobicContact CG-CG 4.43Å; F772-E776 HydrophobicContact CZ-CG 3.55Å; F772-E776 WeakPolarHBondContact O-CG 3.33Å; F772-E776 PolarHBondContact O-N 2.74Å; L773-E776 PolarHBondContact O-N 2.84Å; E776-A780 WeakPolarHBondContact O-CB 3.23Å; E776-A780 PolarHBondContact O-N 3.33Å; E776-L814 HydrophobicContact CB-CD1 4.04Å; E776-L814 HydrophobicContact CB-CD2 4.26Å; E776-L814 HydrophobicContact CG-CD2 4.36Å; E776-Q818 PolarHBondContact O-NE2 2.83Å
777	A	98.8	Very high	97.6	Very high	3 Å²	3	41.3 Å²	41.3	3%	0.025	18%	0.183	C	C	.	.	H	α-helix	trans	-70.6	-43.3	173	0	0	0	0	0	112.1	A705 L773 V774 I775 A780 I821	A705-A777 HydrophobicContact CB-CB 3.6Å; L773-A777 WeakPolarHBondContact O-CB 3.34Å; L773-A777 PolarHBondContact O-N 3.14Å; V774-A777 PolarHBondContact O-N 3.3Å; I775-A777 VanDerWaalsContact C-N 3.31Å; I775-A777 PolarHBondContact O-N 3.32Å; A777-A780 WeakPolarHBondContact O-CB 3.23Å; A777-A780 PolarHBondContact O-N 2.9Å; A777-I821 HydrophobicContact CB-CD1 4.48Å; A777-I821 HydrophobicContact CB-CG2 4.43Å
778	I	98.9	Very high	97.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-68.8	-45.5	177.8	-60.3	162.3	0	0	0	110.8	A705 M708 H709 E739 H742 A743 V774 I775 A780 T781	A705-I778 HydrophobicContact CB-CG1 3.98Å; M708-I778 HydrophobicContact CG-CD1 3.54Å; M708-I778 HydrophobicContact CG-CG1 4.43Å; M708-I778 HydrophobicContact SD-CD1 3.75Å; H709-I778 HydrophobicContact CB-CG1 4.21Å; H709-I778 HydrophobicContact CB-CG2 4.33Å; E739-I778 HydrophobicContact CB-CG2 4.44Å; E739-I778 WeakPolarHBondContact O-CG2 3.32Å; H742-I778 HydrophobicContact CB-CG2 4.44Å; A743-I778 HydrophobicContact CB-CB 4.32Å; A743-I778 HydrophobicContact CB-CD1 3.82Å; A743-I778 HydrophobicContact CB-CG2 4.09Å; V774-I778 HydrophobicContact CG1-CD1 3.78Å; V774-I778 WeakPolarHBondContact O-CD1 3.44Å; V774-I778 VanDerWaalsContact O-CG1 3.24Å; V774-I778 WeakPolarHBondContact O-CG1 3.43Å; V774-I778 PolarHBondContact O-N 2.83Å; V774-I778 VanDerWaalsContact O-N 3.12Å; I775-I778 PolarHBondContact O-N 2.85Å; I778-A780 PolarHBondContact O-N 2.79Å; I778-T781 PolarHBondContact O-N 3.18Å; I778-T781 PolarHBondContact O-OG1 2.94Å
779	L	98.7	Very high	97.5	Very high	30 Å²	30	37.4 Å²	37.4	16%	0.157	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	1.7	176.6	-64.4	-179.3	0	0	0	114	E739 N740 I775 K785	E739-L779 HydrophobicContact CB-CD2 3.93Å; N740-L779 HydrophobicContact CB-CD2 4.48Å; I775-L779 HydrophobicContact CG2-CD1 3.68Å; I775-L779 HydrophobicContact CG2-CG 4.18Å; I775-L779 WeakPolarHBondContact O-CB 3.38Å; I775-L779 WeakPolarHBondContact O-CG 3.3Å; I775-L779 PolarHBondContact O-N 3.27Å; L779-K785 PolarHBondContact O-NZ 2.86Å
780	A	98.6	Very high	97.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-21.7	168.8	0	0	0	0	0	113.5	E776 A777 I778 D782 F789 Q818 K822	E776-A780 WeakPolarHBondContact O-CB 3.23Å; E776-A780 PolarHBondContact O-N 3.33Å; A777-A780 WeakPolarHBondContact O-CB 3.23Å; A777-A780 PolarHBondContact O-N 2.9Å; I778-A780 PolarHBondContact O-N 2.79Å; A780-D782 PolarHBondContact O-N 3.25Å; A780-F789 HydrophobicContact CB-CE1 4.19Å; A780-F789 HydrophobicContact CB-CE2 3.86Å; A780-F789 HydrophobicContact CB-CZ 3.59Å; A780-Q818 HydrophobicContact CB-CB 3.81Å; A780-Q818 HydrophobicContact CB-CG 3.7Å; A780-K822 HydrophobicContact CB-CD 4.49Å; A780-K822 HydrophobicContact CB-CG 4.48Å; A780-K822 WeakPolarHBondContact O-CD 3.25Å; A780-K822 WeakPolarHBondContact O-CE 3.43Å; A780-K822 WeakPolarHBondContact O-CG 3.44Å; A780-K822 PolarHBondContact O-NZ 3.26Å
781	T	98.6	Very high	97.2	Very high	8 Å²	8	38.8 Å²	38.8	5%	0.049	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-42.1	-178.6	59.1	0	0	0	0	111.6	H709 I778 L783 I821 K822 D825	H709-T781 HydrophobicContact CB-CG2 4.32Å; I778-T781 PolarHBondContact O-N 3.18Å; I778-T781 PolarHBondContact O-OG1 2.94Å; T781-L783 PolarHBondContact O-N 3.5Å; T781-I821 HydrophobicContact CG2-CD1 4.37Å; T781-I821 HydrophobicContact CG2-CG1 4.34Å; T781-K822 PolarHBondContact O-NZ 2.92Å; T781-D825 WeakPolarHBondContact CB-OD2 3.46Å
782	D	98.4	Very high	97	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.202	C	C	.	.			trans	-33.2	106.3	178.7	-174.9	-1.2	0	0	0	113.2	S736 E739 A780 K784 K785	S736-D782 VanDerWaalsContact CB-OD2 3.31Å; S736-D782 WeakPolarHBondContact CB-OD2 3.47Å; S736-D782 PolarHBondContact OG-OD2 3.36Å; E739-D782 HydrophobicContact CG-CB 3.92Å; E739-D782 VanDerWaalsContact OE1-CA 3.28Å; E739-D782 WeakPolarHBondContact OE1-CA 3.36Å; E739-D782 WeakPolarHBondContact OE1-CB 3.19Å; A780-D782 PolarHBondContact O-N 3.25Å; D782-K784 PolarHBondContact O-N 2.81Å; D782-K784 VanDerWaalsContact O-N 3.17Å; D782-K784 WeakPolarHBondContact OD1-CB 3.49Å; D782-K784 PolarHBondContact OD1-N 3.17Å; D782-K785 HydrophobicContact CB-CD 4.45Å; D782-K785 PolarHBondContact O-N 3.06Å
783	L	93.9	Very high	96.9	Very high	23 Å²	23	36.3 Å²	36.3	12%	0.12	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-66.1	-17	-177.3	-65.5	-178.2	0	0	0	112.8	T781 K785 H786 I826 F879 I883	T781-L783 PolarHBondContact O-N 3.5Å; L783-K785 PolarHBondContact O-N 3.16Å; L783-H786 WeakPolarHBondContact O-CB 3.4Å; L783-H786 PolarHBondContact O-N 3.19Å; L783-I826 HydrophobicContact CD2-CG2 4.24Å; L783-F879 HydrophobicContact CD1-CE2 4.45Å; L783-I883 HydrophobicContact CD2-CG2 4.4Å
784	K	93.2	Very high	96.6	Very high	120 Å²	120	39 Å²	39	52%	0.522	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-61.8	-29.2	171.1	-169.6	177.9	178.9	175	0	112.4	D782	D782-K784 PolarHBondContact O-N 2.81Å; D782-K784 VanDerWaalsContact O-N 3.17Å; D782-K784 WeakPolarHBondContact OD1-CB 3.49Å; D782-K784 PolarHBondContact OD1-N 3.17Å
785	K	93	Very high	96.2	Very high	65 Å²	65	42.9 Å²	42.9	28%	0.283	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-98.3	3.9	179.2	-61.8	172.8	62.4	-162.7	0	113.1	L779 D782 L783 F787 D788 F789	L779-K785 PolarHBondContact O-NZ 2.86Å; D782-K785 HydrophobicContact CB-CD 4.45Å; D782-K785 PolarHBondContact O-N 3.06Å; L783-K785 PolarHBondContact O-N 3.16Å; K785-F787 VanDerWaalsContact C-N 3.34Å; K785-F787 PolarHBondContact O-N 3.37Å; K785-D788 WeakPolarHBondContact O-CB 3.38Å; K785-D788 PolarHBondContact O-N 3.17Å; K785-D788 VanDerWaalsContact O-N 3.12Å; K785-F789 HydrophobicContact CB-CD2 4.08Å; K785-F789 HydrophobicContact CB-CE2 3.94Å; K785-F789 WeakPolarHBondContact O-CD2 3.43Å; K785-F789 PolarHBondContact O-N 3.1Å
786	H	95.1	Very high	95.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-55.4	-45.5	-172.1	177	95.6	0	0	0	113.1	L783 L790 I883	L783-H786 WeakPolarHBondContact O-CB 3.4Å; L783-H786 PolarHBondContact O-N 3.19Å; H786-L790 VanDerWaalsContact NE2-CD1 3.32Å; H786-L790 WeakPolarHBondContact NE2-CD1 3.39Å; H786-L790 PolarHBondContact O-N 3.13Å; H786-L790 VanDerWaalsContact O-N 3.11Å; H786-I883 WeakPolarHBondContact CE1-CG2 3.41Å; H786-I883 PolarHBondContact CE1-O 2.8Å; H786-I883 PolarHBondContact NE2-O 2.91Å
787	F	96.2	Very high	94.9	Very high	94 Å²	94	42.7 Å²	42.7	41%	0.412	23%	0.229	S	C	.	.	H	α-helix	trans	-73.6	-24.8	-179.6	-63.3	-64.3	0	0	0	113.9	K785 L790 A791 I883	K785-F787 VanDerWaalsContact C-N 3.34Å; K785-F787 PolarHBondContact O-N 3.37Å; F787-L790 HydrophobicContact CD1-CD1 4.28Å; F787-A791 WeakPolarHBondContact O-CB 3.48Å; F787-A791 PolarHBondContact O-N 2.98Å; F787-I883 HydrophobicContact CE2-CD1 4.22Å; F787-I883 HydrophobicContact CZ-CD1 3.79Å
788	D	96.5	Very high	93.3	Very high	105 Å²	105	43.9 Å²	43.9	56%	0.561	24%	0.242	S	C	*	.	H	α-helix	trans	-67.2	-51.2	175.2	-57.7	-39.9	0	0	0	110	K785 L790 A791 E792	K785-D788 WeakPolarHBondContact O-CB 3.38Å; K785-D788 PolarHBondContact O-N 3.17Å; K785-D788 VanDerWaalsContact O-N 3.12Å; D788-L790 VanDerWaalsContact C-N 3.34Å; D788-L790 PolarHBondContact O-N 2.93Å; D788-A791 PolarHBondContact O-N 3.2Å; D788-E792 PolarHBondContact O-N 3.45Å
789	F	97.3	Very high	91.3	Very high	13 Å²	13	52.4 Å²	52.4	6%	0.057	29%	0.287	C	S	.	.	H	α-helix	trans	-61.2	-40.6	175.8	-74.6	-69.5	0	0	0	112.4	A780 K785 E792 F793 L815 Q818 M819 K822	A780-F789 HydrophobicContact CB-CE1 4.19Å; A780-F789 HydrophobicContact CB-CE2 3.86Å; A780-F789 HydrophobicContact CB-CZ 3.59Å; K785-F789 HydrophobicContact CB-CD2 4.08Å; K785-F789 HydrophobicContact CB-CE2 3.94Å; K785-F789 WeakPolarHBondContact O-CD2 3.43Å; K785-F789 PolarHBondContact O-N 3.1Å; F789-E792 PolarHBondContact O-N 3.42Å; F789-F793 VanDerWaalsContact O-CB 3.29Å; F789-F793 WeakPolarHBondContact O-CB 3.31Å; F789-F793 PolarHBondContact O-N 2.89Å; F789-L815 HydrophobicContact CD1-CD1 4.05Å; F789-Q818 HydrophobicContact CE1-CB 4.37Å; F789-M819 HydrophobicContact CB-SD 4.06Å; F789-K822 HydrophobicContact CB-CD 4.35Å; F789-K822 HydrophobicContact CD2-CD 4.06Å; F789-K822 HydrophobicContact CG-CD 4.32Å
790	L	96	Very high	89.3	Confident	11 Å²	11	55.2 Å²	55.2	6%	0.058	30%	0.302	C	S	.	.	H	α-helix	trans	-60.9	-43.7	174.1	-102.4	173.3	0	0	0	112.1	H786 F787 D788 N794 M819 P886 S890	H786-L790 VanDerWaalsContact NE2-CD1 3.32Å; H786-L790 WeakPolarHBondContact NE2-CD1 3.39Å; H786-L790 PolarHBondContact O-N 3.13Å; H786-L790 VanDerWaalsContact O-N 3.11Å; F787-L790 HydrophobicContact CD1-CD1 4.28Å; D788-L790 VanDerWaalsContact C-N 3.34Å; D788-L790 PolarHBondContact O-N 2.93Å; L790-N794 WeakPolarHBondContact O-CB 3.34Å; L790-N794 PolarHBondContact O-N 3.12Å; L790-N794 PolarHBondContact O-ND2 3.39Å; L790-M819 HydrophobicContact CD2-CE 4.02Å; L790-M819 HydrophobicContact CG-CE 4.32Å; L790-P886 HydrophobicContact CD1-CB 4.01Å; L790-S890 WeakPolarHBondContact CD2-OG 3.48Å
791	A	95.3	Very high	87	Confident	64 Å²	64	61.7 Å²	61.7	53%	0.529	34%	0.344	S	S	.	.	H	α-helix	trans	-66.8	-42.7	178.6	0	0	0	0	0	111.7	F787 D788 A795	F787-A791 WeakPolarHBondContact O-CB 3.48Å; F787-A791 PolarHBondContact O-N 2.98Å; D788-A791 PolarHBondContact O-N 3.2Å; A791-A795 WeakPolarHBondContact O-CB 3.43Å; A791-A795 PolarHBondContact O-N 3.33Å
792	E	94.8	Very high	84.8	Confident	112 Å²	112	65.9 Å²	65.9	52%	0.523	37%	0.374	S	S	.	.	H	α-helix	trans	-63.9	-44	177.6	-169.7	171.8	-179.3	0	0	112	D788 F789 A795 K796 L815	D788-E792 PolarHBondContact O-N 3.45Å; F789-E792 PolarHBondContact O-N 3.42Å; E792-A795 PolarHBondContact O-N 2.93Å; E792-K796 PolarHBondContact O-N 3.06Å; E792-L815 HydrophobicContact CG-CD1 4.4Å; E792-L815 HydrophobicContact CG-CD2 3.96Å
793	F	95.4	Very high	82.9	Confident	2 Å²	2	68.9 Å²	68.9	1%	0.009	39%	0.393	C	S	.	.	H	α-helix	trans	-67.8	-44.8	177.9	-175.5	-104.6	0	0	0	112.8	F789 A795 K796 V797 I805 L815 V816 M819 Y891 A894 L896	F789-F793 VanDerWaalsContact O-CB 3.29Å; F789-F793 WeakPolarHBondContact O-CB 3.31Å; F789-F793 PolarHBondContact O-N 2.89Å; F793-A795 VanDerWaalsContact C-N 3.25Å; F793-A795 PolarHBondContact O-N 3.42Å; F793-K796 WeakPolarHBondContact O-CB 3.4Å; F793-K796 PolarHBondContact O-N 2.58Å; F793-V797 HydrophobicContact CD1-CG2 4.24Å; F793-V797 HydrophobicContact CD2-CG2 4.4Å; F793-V797 HydrophobicContact CE1-CG2 3.93Å; F793-V797 HydrophobicContact CE2-CG2 4.1Å; F793-V797 HydrophobicContact CG-CG2 4.49Å; F793-V797 HydrophobicContact CZ-CG2 3.87Å; F793-V797 WeakPolarHBondContact O-CG2 3.23Å; F793-V797 PolarHBondContact O-N 2.86Å; F793-V797 VanDerWaalsContact O-N 3.16Å; F793-I805 HydrophobicContact CE2-CD1 4.3Å; F793-L815 HydrophobicContact CB-CD2 4.26Å; F793-L815 HydrophobicContact CB-CG 4.41Å; F793-L815 HydrophobicContact CD2-CD2 4.28Å; F793-L815 HydrophobicContact CD2-CG 4.16Å; F793-V816 HydrophobicContact CE2-CG2 4.19Å; F793-M819 HydrophobicContact CB-CE 3.78Å; F793-M819 HydrophobicContact CB-CG 3.99Å; F793-M819 HydrophobicContact CB-SD 4.12Å; F793-M819 HydrophobicContact CD1-CE 3.64Å; F793-M819 HydrophobicContact CD1-CG 4.39Å; F793-M819 HydrophobicContact CD2-CB 4.48Å; F793-M819 HydrophobicContact CD2-CG 3.74Å; F793-M819 HydrophobicContact CE1-CE 4.35Å; F793-M819 HydrophobicContact CE2-CG 4.26Å; F793-M819 HydrophobicContact CG-CE 3.78Å; F793-M819 HydrophobicContact CG-CG 3.79Å; F793-M819 HydrophobicContact CG-SD 4.37Å; F793-Y891 HydrophobicContact CE1-CD2 4.47Å; F793-Y891 HydrophobicContact CZ-CD2 4.1Å; F793-A894 HydrophobicContact CE1-CB 3.75Å; F793-A894 HydrophobicContact CZ-CB 3.5Å; F793-A894 VanDerWaalsContact CZ-CB 3.5Å; F793-L896 HydrophobicContact CE2-CD1 4.28Å; F793-L896 HydrophobicContact CZ-CD1 3.88Å
794	N	93.2	Very high	82.1	Confident	64 Å²	64	70.2 Å²	70.2	34%	0.342	41%	0.412	S	S	.	.	H	α-helix	trans	-64.2	-31.3	176	-73.5	-57.7	0	0	0	112.1	L790 K796 V797 G798 S890	L790-N794 WeakPolarHBondContact O-CB 3.34Å; L790-N794 PolarHBondContact O-N 3.12Å; L790-N794 PolarHBondContact O-ND2 3.39Å; N794-K796 PolarHBondContact O-N 2.87Å; N794-V797 PolarHBondContact O-N 3.08Å; N794-G798 PolarHBondContact O-N 3.35Å; N794-S890 PolarHBondContact ND2-OG 3.38Å; N794-S890 WeakPolarHBondContact OD1-CB 3.31Å; N794-S890 PolarHBondContact OD1-OG 3.03Å
795	A	91.1	Very high	81.9	Confident	81 Å²	81	65.8 Å²	65.8	67%	0.669	39%	0.394	S	S	*	.	H	α-helix	trans	-68.6	-14.5	172.7	0	0	0	0	0	114.1	A791 E792 F793	A791-A795 WeakPolarHBondContact O-CB 3.43Å; A791-A795 PolarHBondContact O-N 3.33Å; E792-A795 PolarHBondContact O-N 2.93Å; F793-A795 VanDerWaalsContact C-N 3.25Å; F793-A795 PolarHBondContact O-N 3.42Å
796	K	87.4	Confident	81.8	Confident	71 Å²	71	66.1 Å²	66.1	31%	0.309	40%	0.399	S	S	.	.	H	α-helix	trans	-95.8	-21	173.7	-70.8	-66.6	-158.8	150.3	0	114.4	E792 F793 N794 D812 L815	E792-K796 PolarHBondContact O-N 3.06Å; F793-K796 WeakPolarHBondContact O-CB 3.4Å; F793-K796 PolarHBondContact O-N 2.58Å; N794-K796 PolarHBondContact O-N 2.87Å; K796-D812 WeakPolarHBondContact CE-OD1 3.27Å; K796-D812 WeakPolarHBondContact CE-OD2 3.14Å; K796-D812 IonicContact NZ-OD1 2.7Å; K796-D812 PolarHBondContact NZ-OD1 3.47Å; K796-D812 IonicContact NZ-OD2 2.8Å; K796-D812 PolarHBondContact NZ-OD2 2.94Å; K796-L815 HydrophobicContact CG-CD2 4.11Å
797	V	81.8	Confident	81.6	Confident	28 Å²	28	68 Å²	68	17%	0.17	41%	0.406	C	S	.	.	H	α-helix	trans	-108.2	-3.7	-169.9	167.1	0	0	0	0	112.8	F793 N794 I805 A894	F793-V797 HydrophobicContact CD1-CG2 4.24Å; F793-V797 HydrophobicContact CD2-CG2 4.4Å; F793-V797 HydrophobicContact CE1-CG2 3.93Å; F793-V797 HydrophobicContact CE2-CG2 4.1Å; F793-V797 HydrophobicContact CG-CG2 4.49Å; F793-V797 HydrophobicContact CZ-CG2 3.87Å; F793-V797 WeakPolarHBondContact O-CG2 3.23Å; F793-V797 PolarHBondContact O-N 2.86Å; F793-V797 VanDerWaalsContact O-N 3.16Å; N794-V797 PolarHBondContact O-N 3.08Å; V797-I805 HydrophobicContact CG2-CD1 4.23Å; V797-I805 HydrophobicContact CG2-CG1 4.23Å; V797-A894 HydrophobicContact CB-CB 4.46Å; V797-A894 HydrophobicContact CG1-CB 3.72Å; V797-A894 HydrophobicContact CG2-CB 3.8Å
798	G	65.2	Low	81.3	Confident	29 Å²	29	68 Å²	68	30%	0.299	42%	0.418	S	S	.	.			trans	-57.6	164.8	-168.9	0	0	0	0	0	116.7	N794 D800 T803	N794-G798 PolarHBondContact O-N 3.35Å; G798-D800 PolarHBondContact O-N 2.87Å; G798-T803 PolarHBondContact O-OG1 3.02Å
799	D	56.8	Low	81.1	Confident	179 Å²	179	65.2 Å²	65.2	96%	0.957	40%	0.402	S	S	*	.	S	Bend	trans	-56.1	-6.8	-161.6	-56.9	-52.2	0	0	0	118.4
800	D	58.1	Low	81	Confident	88 Å²	88	69.3 Å²	69.3	47%	0.471	42%	0.422	S	S	.	.	S	Bend	trans	-84.5	125.4	178	-168.9	-50.6	0	0	0	110.2	G798 S802 T803	G798-D800 PolarHBondContact O-N 2.87Å; D800-S802 VanDerWaalsContact CG-OG 3.3Å; D800-S802 PolarHBondContact O-N 3.16Å; D800-S802 VanDerWaalsContact OD1-CB 3.31Å; D800-S802 WeakPolarHBondContact OD1-CB 3.34Å; D800-S802 PolarHBondContact OD1-N 3.3Å; D800-S802 PolarHBondContact OD1-OG 3.42Å; D800-T803 PolarHBondContact O-N 2.79Å; D800-T803 PolarHBondContact O-OG1 2.97Å
801	P	50.1	Low	81	Confident	136 Å²	136	74.2 Å²	74.2	88%	0.883	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-0.8	179	28.4	-35.9	0	0	0	114.6
802	S	51.9	Low	81	Confident	97 Å²	97	71.7 Å²	71.7	68%	0.678	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-12.5	167	68.7	0	0	0	0	114.5	D800	D800-S802 VanDerWaalsContact CG-OG 3.3Å; D800-S802 PolarHBondContact O-N 3.16Å; D800-S802 VanDerWaalsContact OD1-CB 3.31Å; D800-S802 WeakPolarHBondContact OD1-CB 3.34Å; D800-S802 PolarHBondContact OD1-N 3.3Å; D800-S802 PolarHBondContact OD1-OG 3.42Å
803	T	59.3	Low	81.1	Confident	64 Å²	64	67.3 Å²	67.3	39%	0.393	40%	0.404	S	S	.	.			trans	-101.8	81.3	173.9	52.2	0	0	0	0	111.3	G798 D800	G798-T803 PolarHBondContact O-OG1 3.02Å; D800-T803 PolarHBondContact O-N 2.79Å; D800-T803 PolarHBondContact O-OG1 2.97Å
804	G	77.6	Confident	81.3	Confident	51 Å²	51	68 Å²	68	53%	0.526	41%	0.408	S	S	.	.			trans	-116.5	169.8	171.5	0	0	0	0	0	112.7	D806	G804-D806 PolarHBondContact O-N 2.9Å
805	I	89	Confident	81.5	Confident	26 Å²	26	65.2 Å²	65.2	13%	0.133	39%	0.393	C	S	.	.			trans	-62.5	118.4	175.3	-64.5	161.3	0	0	0	109.8	F793 V797 W807 D812 V816 A894 L896	F793-I805 HydrophobicContact CE2-CD1 4.3Å; V797-I805 HydrophobicContact CG2-CD1 4.23Å; V797-I805 HydrophobicContact CG2-CG1 4.23Å; I805-W807 HydrophobicContact CB-CZ2 4.08Å; I805-W807 HydrophobicContact CD1-CH2 4.38Å; I805-W807 HydrophobicContact CD1-CZ2 4.14Å; I805-W807 HydrophobicContact CG2-CD2 3.87Å; I805-W807 HydrophobicContact CG2-CE3 4.12Å; I805-W807 HydrophobicContact CG2-CG 4.46Å; I805-W807 HydrophobicContact CG2-CH2 3.98Å; I805-W807 HydrophobicContact CG2-CZ2 3.72Å; I805-W807 HydrophobicContact CG2-CZ3 4.17Å; I805-W807 PolarHBondContact O-N 3.17Å; I805-W807 PolarHBondContact O-NE1 2.69Å; I805-D812 HydrophobicContact CG2-CB 4.37Å; I805-V816 HydrophobicContact CD1-CG2 3.85Å; I805-V816 HydrophobicContact CG1-CG2 4.43Å; I805-V816 HydrophobicContact CG2-CG2 4.05Å; I805-A894 HydrophobicContact CD1-CB 4.49Å; I805-L896 HydrophobicContact CD1-CD1 3.88Å; I805-L896 HydrophobicContact CD1-CD2 4.11Å; I805-L896 HydrophobicContact CD1-CG 4.41Å
806	D	89.9	Confident	81.8	Confident	73 Å²	73	61.4 Å²	61.4	39%	0.39	36%	0.362	S	S	.	.			trans	-82.8	96.4	172.6	177.1	7.2	0	0	0	110.2	G804 S808 N809	G804-D806 PolarHBondContact O-N 2.9Å; D806-S808 VanDerWaalsContact CG-OG 3.29Å; D806-S808 PolarHBondContact O-N 3.02Å; D806-S808 VanDerWaalsContact O-N 3.1Å; D806-S808 WeakPolarHBondContact OD1-CA 3.28Å; D806-S808 VanDerWaalsContact OD1-CB 3.28Å; D806-S808 WeakPolarHBondContact OD1-CB 3.47Å; D806-S808 PolarHBondContact OD1-N 3.05Å; D806-S808 PolarHBondContact OD1-OG 3.33Å; D806-S808 PolarHBondContact OD2-OG 2.96Å; D806-N809 HydrophobicContact CB-CB 4.04Å; D806-N809 WeakPolarHBondContact O-CB 3.28Å; D806-N809 PolarHBondContact O-N 3Å; D806-N809 WeakPolarHBondContact OD2-CB 3.39Å
807	W	90.1	Very high	82.4	Confident	41 Å²	41	58.4 Å²	58.4	16%	0.155	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-14.7	178	-56.3	98.4	0	0	0	114	L648 L690 L693 I694 I805 R813 V816 L896	L648-W807 HydrophobicContact CD1-CZ2 4.22Å; L690-W807 HydrophobicContact CD2-CH2 3.61Å; L690-W807 HydrophobicContact CD2-CZ2 4.48Å; L690-W807 HydrophobicContact CD2-CZ3 4.08Å; L693-W807 HydrophobicContact CB-CD2 3.96Å; L693-W807 HydrophobicContact CB-CE3 3.7Å; L693-W807 HydrophobicContact CB-CG 4.43Å; L693-W807 HydrophobicContact CB-CZ3 4.16Å; L693-W807 HydrophobicContact CD1-CD2 3.88Å; L693-W807 HydrophobicContact CD1-CE3 4.2Å; L693-W807 HydrophobicContact CD1-CG 4.43Å; L693-W807 HydrophobicContact CD1-CH2 4.2Å; L693-W807 HydrophobicContact CD1-CZ2 3.86Å; L693-W807 HydrophobicContact CD1-CZ3 4.35Å; L693-W807 HydrophobicContact CG-CD2 4.43Å; I694-W807 HydrophobicContact CD1-CZ3 4.27Å; I694-W807 HydrophobicContact CG1-CE3 4.34Å; I694-W807 HydrophobicContact CG1-CZ3 4.05Å; I805-W807 HydrophobicContact CB-CZ2 4.08Å; I805-W807 HydrophobicContact CD1-CH2 4.38Å; I805-W807 HydrophobicContact CD1-CZ2 4.14Å; I805-W807 HydrophobicContact CG2-CD2 3.87Å; I805-W807 HydrophobicContact CG2-CE3 4.12Å; I805-W807 HydrophobicContact CG2-CG 4.46Å; I805-W807 HydrophobicContact CG2-CH2 3.98Å; I805-W807 HydrophobicContact CG2-CZ2 3.72Å; I805-W807 HydrophobicContact CG2-CZ3 4.17Å; I805-W807 PolarHBondContact O-N 3.17Å; I805-W807 PolarHBondContact O-NE1 2.69Å; W807-R813 HydrophobicContact CE3-CG 4.28Å; W807-R813 VanDerWaalsContact O-CD 3.26Å; W807-R813 WeakPolarHBondContact O-CD 3.03Å; W807-R813 PolarHBondContact O-NH1 3.42Å; W807-V816 HydrophobicContact CH2-CG1 4.21Å; W807-V816 HydrophobicContact CH2-CG2 4.1Å; W807-V816 HydrophobicContact CZ3-CG1 4.18Å; W807-V816 HydrophobicContact CZ3-CG2 4.22Å; W807-L896 HydrophobicContact CH2-CD2 3.94Å; W807-L896 HydrophobicContact CZ2-CD2 3.94Å
808	S	90	Very high	83.2	Confident	94 Å²	94	57.7 Å²	57.7	66%	0.657	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-29	171.8	79.7	0	0	0	0	112.6	D806 R813	D806-S808 VanDerWaalsContact CG-OG 3.29Å; D806-S808 PolarHBondContact O-N 3.02Å; D806-S808 VanDerWaalsContact O-N 3.1Å; D806-S808 WeakPolarHBondContact OD1-CA 3.28Å; D806-S808 VanDerWaalsContact OD1-CB 3.28Å; D806-S808 WeakPolarHBondContact OD1-CB 3.47Å; D806-S808 PolarHBondContact OD1-N 3.05Å; D806-S808 PolarHBondContact OD1-OG 3.33Å; D806-S808 PolarHBondContact OD2-OG 2.96Å; S808-R813 VanDerWaalsContact C-NH1 3.34Å; S808-R813 PolarHBondContact O-NH1 2.88Å
809	N	93.5	Very high	84.8	Confident	45 Å²	45	56.3 Å²	56.3	24%	0.241	33%	0.33	C	S	.	.	S	Bend	trans	-81.5	122	-176.4	175.2	-1.7	0	0	0	111.9	D806 N811 D812 R813	D806-N809 HydrophobicContact CB-CB 4.04Å; D806-N809 WeakPolarHBondContact O-CB 3.28Å; D806-N809 PolarHBondContact O-N 3Å; D806-N809 WeakPolarHBondContact OD2-CB 3.39Å; N809-N811 VanDerWaalsContact C-N 3.25Å; N809-N811 PolarHBondContact O-N 3.47Å; N809-N811 PolarHBondContact OD1-N 2.8Å; N809-N811 PolarHBondContact OD1-ND2 3.48Å; N809-D812 HydrophobicContact CB-CB 4.3Å; N809-D812 VanDerWaalsContact ND2-CG 3.34Å; N809-D812 PolarHBondContact ND2-OD1 3.2Å; N809-D812 PolarHBondContact O-N 3.21Å; N809-R813 PolarHBondContact O-N 3.08Å
810	E	95.2	Very high	86.8	Confident	100 Å²	100	47.9 Å²	47.9	47%	0.467	29%	0.285	S	S	.	.	H	α-helix	trans	-60.5	-30.2	-178.2	-59.5	-163.4	173.9	0	0	114.4	R769 L814	R769-E810 IonicContact CZ-OE2 3.88Å; R769-E810 IonicContact NE-OE2 2.7Å; R769-E810 IonicContact NH1-OE2 3.99Å; R769-E810 PolarHBondContact NH1-OE2 3.02Å; R769-E810 IonicContact NH2-OE2 2.92Å; R769-E810 PolarHBondContact NH2-OE2 2.99Å; E810-L814 VanDerWaalsContact O-CB 3.28Å; E810-L814 WeakPolarHBondContact O-CB 3.45Å; E810-L814 PolarHBondContact O-N 3.37Å
811	N	96.2	Very high	88.7	Confident	113 Å²	113	43.7 Å²	43.7	60%	0.604	26%	0.262	S	S	*	.	H	α-helix	trans	-75.8	-37.8	-177.7	-52.2	-79.7	0	0	0	110.8	N809 L814 L815	N809-N811 VanDerWaalsContact C-N 3.25Å; N809-N811 PolarHBondContact O-N 3.47Å; N809-N811 PolarHBondContact OD1-N 2.8Å; N809-N811 PolarHBondContact OD1-ND2 3.48Å; N811-L814 PolarHBondContact O-N 3.2Å; N811-L815 WeakPolarHBondContact O-CB 3.31Å; N811-L815 PolarHBondContact O-N 3.21Å
812	D	95.6	Very high	91	Very high	11 Å²	11	37.2 Å²	37.2	6%	0.059	22%	0.221	C	C	.	.	H	α-helix	trans	-71.7	-39.7	-179.6	-68.4	37.1	0	0	0	110.1	K796 I805 N809 L815 V816	K796-D812 WeakPolarHBondContact CE-OD1 3.27Å; K796-D812 WeakPolarHBondContact CE-OD2 3.14Å; K796-D812 IonicContact NZ-OD1 2.7Å; K796-D812 PolarHBondContact NZ-OD1 3.47Å; K796-D812 IonicContact NZ-OD2 2.8Å; K796-D812 PolarHBondContact NZ-OD2 2.94Å; I805-D812 HydrophobicContact CG2-CB 4.37Å; N809-D812 HydrophobicContact CB-CB 4.3Å; N809-D812 VanDerWaalsContact ND2-CG 3.34Å; N809-D812 PolarHBondContact ND2-OD1 3.2Å; N809-D812 PolarHBondContact O-N 3.21Å; D812-L815 PolarHBondContact O-N 2.98Å; D812-V816 WeakPolarHBondContact O-CG2 3.14Å; D812-V816 PolarHBondContact O-N 3.33Å
813	R	96.4	Very high	93.3	Very high	21 Å²	21	32.6 Å²	32.6	8%	0.079	19%	0.188	C	C	.	.	H	α-helix	trans	-64.2	-40.4	169.3	-65.6	-161.1	-52.5	-79.8	-6.4	113	E698 W807 S808 N809 V816 C817	E698-R813 IonicContact OE1-CZ 2.73Å; E698-R813 IonicContact OE1-NE 2.82Å; E698-R813 IonicContact OE1-NH2 3.46Å; E698-R813 PolarHBondContact OE1-NH2 3.25Å; E698-R813 IonicContact OE2-CZ 3.75Å; E698-R813 IonicContact OE2-NE 3.31Å; E698-R813 PolarHBondContact OE2-NE 3.03Å; E698-R813 IonicContact OE2-NH2 2.67Å; E698-R813 PolarHBondContact OE2-NH2 3.4Å; W807-R813 HydrophobicContact CE3-CG 4.28Å; W807-R813 VanDerWaalsContact O-CD 3.26Å; W807-R813 WeakPolarHBondContact O-CD 3.03Å; W807-R813 PolarHBondContact O-NH1 3.42Å; S808-R813 VanDerWaalsContact C-NH1 3.34Å; S808-R813 PolarHBondContact O-NH1 2.88Å; N809-R813 PolarHBondContact O-N 3.08Å; R813-V816 PolarHBondContact O-N 3.4Å; R813-C817 PolarHBondContact O-N 2.74Å; R813-C817 PolarHBondContact O-SG 2.9Å
814	L	98.1	Very high	95.1	Very high	16 Å²	16	29.6 Å²	29.6	8%	0.084	17%	0.17	C	C	.	.	H	α-helix	trans	-62.1	-44.4	175.1	174	57	0	0	0	111.2	F772 L773 E776 E810 N811 V816 C817 Q818	F772-L814 HydrophobicContact CE1-CD2 4.12Å; F772-L814 HydrophobicContact CZ-CD2 4.28Å; L773-L814 HydrophobicContact CD2-CD1 4.07Å; E776-L814 HydrophobicContact CB-CD1 4.04Å; E776-L814 HydrophobicContact CB-CD2 4.26Å; E776-L814 HydrophobicContact CG-CD2 4.36Å; E810-L814 VanDerWaalsContact O-CB 3.28Å; E810-L814 WeakPolarHBondContact O-CB 3.45Å; E810-L814 PolarHBondContact O-N 3.37Å; N811-L814 PolarHBondContact O-N 3.2Å; L814-V816 VanDerWaalsContact C-N 3.34Å; L814-V816 PolarHBondContact O-N 3.45Å; L814-C817 CarbonylContact O-C 3.41Å; L814-C817 WeakPolarHBondContact O-CA 3.2Å; L814-C817 WeakPolarHBondContact O-CB 3.35Å; L814-C817 PolarHBondContact O-N 2.69Å; L814-C817 VanDerWaalsContact O-N 3.09Å; L814-Q818 HydrophobicContact CD1-CG 4.06Å; L814-Q818 HydrophobicContact CG-CG 4.45Å; L814-Q818 WeakPolarHBondContact O-CG 3.47Å; L814-Q818 PolarHBondContact O-N 3.18Å
815	L	98.3	Very high	96.2	Very high	6 Å²	6	28.1 Å²	28.1	3%	0.031	15%	0.15	C	C	.	.	H	α-helix	trans	-62.9	-39.2	177.3	-174.4	63.8	0	0	0	111.7	F789 E792 F793 K796 N811 D812 Q818 M819	F789-L815 HydrophobicContact CD1-CD1 4.05Å; E792-L815 HydrophobicContact CG-CD1 4.4Å; E792-L815 HydrophobicContact CG-CD2 3.96Å; F793-L815 HydrophobicContact CB-CD2 4.26Å; F793-L815 HydrophobicContact CB-CG 4.41Å; F793-L815 HydrophobicContact CD2-CD2 4.28Å; F793-L815 HydrophobicContact CD2-CG 4.16Å; K796-L815 HydrophobicContact CG-CD2 4.11Å; N811-L815 WeakPolarHBondContact O-CB 3.31Å; N811-L815 PolarHBondContact O-N 3.21Å; D812-L815 PolarHBondContact O-N 2.98Å; L815-Q818 PolarHBondContact O-N 2.82Å; L815-M819 WeakPolarHBondContact O-CB 3.45Å; L815-M819 VanDerWaalsContact O-CG 3.29Å; L815-M819 WeakPolarHBondContact O-CG 3.44Å; L815-M819 PolarHBondContact O-N 3.44Å
816	V	98.2	Very high	96.6	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-60.5	-43.9	170.2	169.7	0	0	0	0	111.5	L690 I694 F793 I805 W807 D812 R813 L814 Q818 M819 C820 L896	L690-V816 HydrophobicContact CD1-CG1 4.46Å; I694-V816 HydrophobicContact CD1-CG1 4.03Å; F793-V816 HydrophobicContact CE2-CG2 4.19Å; I805-V816 HydrophobicContact CD1-CG2 3.85Å; I805-V816 HydrophobicContact CG1-CG2 4.43Å; I805-V816 HydrophobicContact CG2-CG2 4.05Å; W807-V816 HydrophobicContact CH2-CG1 4.21Å; W807-V816 HydrophobicContact CH2-CG2 4.1Å; W807-V816 HydrophobicContact CZ3-CG1 4.18Å; W807-V816 HydrophobicContact CZ3-CG2 4.22Å; D812-V816 WeakPolarHBondContact O-CG2 3.14Å; D812-V816 PolarHBondContact O-N 3.33Å; R813-V816 PolarHBondContact O-N 3.4Å; L814-V816 VanDerWaalsContact C-N 3.34Å; L814-V816 PolarHBondContact O-N 3.45Å; V816-Q818 PolarHBondContact O-N 3.15Å; V816-M819 PolarHBondContact O-N 2.98Å; V816-C820 VanDerWaalsContact O-CB 3.28Å; V816-C820 WeakPolarHBondContact O-CB 3.32Å; V816-C820 PolarHBondContact O-N 2.97Å; V816-L896 HydrophobicContact CG1-CD1 4.08Å; V816-L896 HydrophobicContact CG2-CD1 4.12Å
817	C	98.8	Very high	97	Very high	8 Å²	8	23.9 Å²	23.9	5%	0.054	13%	0.127	C	C	.	.	H	α-helix	trans	-63.4	-40.7	176.3	-65.3	0	0	0	0	112.2	L702 R813 L814 C820 I821	L702-C817 HydrophobicContact CD1-CB 4.29Å; L702-C817 WeakPolarHBondContact CD1-O 3.43Å; L702-C817 HydrophobicContact CD2-CB 4.39Å; R813-C817 PolarHBondContact O-N 2.74Å; R813-C817 PolarHBondContact O-SG 2.9Å; L814-C817 CarbonylContact O-C 3.41Å; L814-C817 WeakPolarHBondContact O-CA 3.2Å; L814-C817 WeakPolarHBondContact O-CB 3.35Å; L814-C817 PolarHBondContact O-N 2.69Å; L814-C817 VanDerWaalsContact O-N 3.09Å; C817-C820 WeakPolarHBondContact O-CB 3.4Å; C817-C820 PolarHBondContact O-N 3.15Å; C817-I821 PolarHBondContact O-N 3.36Å
818	Q	98.8	Very high	97.4	Very high	13 Å²	13	22.1 Å²	22.1	6%	0.061	12%	0.122	C	C	.	.	H	α-helix	trans	-65.4	-44.1	176.7	-73.3	174.2	-45.1	0	0	111.4	E776 A780 F789 L814 L815 V816 C820 I821 K822	E776-Q818 PolarHBondContact O-NE2 2.83Å; A780-Q818 HydrophobicContact CB-CB 3.81Å; A780-Q818 HydrophobicContact CB-CG 3.7Å; F789-Q818 HydrophobicContact CE1-CB 4.37Å; L814-Q818 HydrophobicContact CD1-CG 4.06Å; L814-Q818 HydrophobicContact CG-CG 4.45Å; L814-Q818 WeakPolarHBondContact O-CG 3.47Å; L814-Q818 PolarHBondContact O-N 3.18Å; L815-Q818 PolarHBondContact O-N 2.82Å; V816-Q818 PolarHBondContact O-N 3.15Å; Q818-C820 VanDerWaalsContact C-N 3.32Å; Q818-C820 PolarHBondContact O-N 3.42Å; Q818-I821 VanDerWaalsContact O-CG2 3.31Å; Q818-I821 WeakPolarHBondContact O-CG2 3.2Å; Q818-I821 PolarHBondContact O-N 3.4Å; Q818-K822 WeakPolarHBondContact O-CB 3.47Å; Q818-K822 VanDerWaalsContact O-CG 3.27Å; Q818-K822 WeakPolarHBondContact O-CG 3.43Å; Q818-K822 PolarHBondContact O-N 3.22Å
819	M	98.6	Very high	97.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.8	-35.3	174.2	-66.8	-64.6	-80.9	0	0	112	F789 L790 F793 L815 V816 K822 L823 L887 Y891	F789-M819 HydrophobicContact CB-SD 4.06Å; L790-M819 HydrophobicContact CD2-CE 4.02Å; L790-M819 HydrophobicContact CG-CE 4.32Å; F793-M819 HydrophobicContact CB-CE 3.78Å; F793-M819 HydrophobicContact CB-CG 3.99Å; F793-M819 HydrophobicContact CB-SD 4.12Å; F793-M819 HydrophobicContact CD1-CE 3.64Å; F793-M819 HydrophobicContact CD1-CG 4.39Å; F793-M819 HydrophobicContact CD2-CB 4.48Å; F793-M819 HydrophobicContact CD2-CG 3.74Å; F793-M819 HydrophobicContact CE1-CE 4.35Å; F793-M819 HydrophobicContact CE2-CG 4.26Å; F793-M819 HydrophobicContact CG-CE 3.78Å; F793-M819 HydrophobicContact CG-CG 3.79Å; F793-M819 HydrophobicContact CG-SD 4.37Å; L815-M819 WeakPolarHBondContact O-CB 3.45Å; L815-M819 VanDerWaalsContact O-CG 3.29Å; L815-M819 WeakPolarHBondContact O-CG 3.44Å; L815-M819 PolarHBondContact O-N 3.44Å; V816-M819 PolarHBondContact O-N 2.98Å; M819-K822 PolarHBondContact O-N 3.48Å; M819-L823 WeakPolarHBondContact O-CB 3.38Å; M819-L823 PolarHBondContact O-N 3.39Å; M819-L887 HydrophobicContact CE-CD1 3.32Å; M819-L887 HydrophobicContact SD-CD1 3.95Å; M819-Y891 HydrophobicContact CB-CD2 4.07Å; M819-Y891 HydrophobicContact CB-CE2 4.16Å
820	C	98.8	Very high	98	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.007	8%	0.081	C	C	.	.	H	α-helix	trans	-63.8	-48.9	174.7	-173.6	0	0	0	0	112.5	L702 V816 C817 Q818 L823 A824	L702-C820 HydrophobicContact CD2-CB 4.37Å; V816-C820 VanDerWaalsContact O-CB 3.28Å; V816-C820 WeakPolarHBondContact O-CB 3.32Å; V816-C820 PolarHBondContact O-N 2.97Å; C817-C820 WeakPolarHBondContact O-CB 3.4Å; C817-C820 PolarHBondContact O-N 3.15Å; Q818-C820 VanDerWaalsContact C-N 3.32Å; Q818-C820 PolarHBondContact O-N 3.42Å; C820-L823 PolarHBondContact O-N 3.36Å; C820-A824 VanDerWaalsContact O-CB 3.31Å; C820-A824 WeakPolarHBondContact O-CB 3.27Å; C820-A824 PolarHBondContact O-N 3.22Å
821	I	98.8	Very high	98.2	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-66	-38.2	176.5	-169.1	168.5	0	0	0	111.3	V633 V637 L702 A705 A706 H709 A777 T781 C817 Q818 L823 A824 D825	V633-I821 HydrophobicContact CG1-CG1 4.26Å; V637-I821 HydrophobicContact CG1-CB 4.17Å; V637-I821 HydrophobicContact CG1-CG1 4.35Å; L702-I821 HydrophobicContact CD1-CB 3.79Å; L702-I821 HydrophobicContact CD1-CG2 4.37Å; A705-I821 HydrophobicContact CB-CD1 4.2Å; A706-I821 HydrophobicContact CB-CD1 4.25Å; H709-I821 HydrophobicContact CB-CD1 4.49Å; A777-I821 HydrophobicContact CB-CD1 4.48Å; A777-I821 HydrophobicContact CB-CG2 4.43Å; T781-I821 HydrophobicContact CG2-CD1 4.37Å; T781-I821 HydrophobicContact CG2-CG1 4.34Å; C817-I821 PolarHBondContact O-N 3.36Å; Q818-I821 VanDerWaalsContact O-CG2 3.31Å; Q818-I821 WeakPolarHBondContact O-CG2 3.2Å; Q818-I821 PolarHBondContact O-N 3.4Å; I821-L823 VanDerWaalsContact C-N 3.31Å; I821-L823 PolarHBondContact O-N 2.86Å; I821-A824 PolarHBondContact O-N 3.24Å; I821-D825 WeakPolarHBondContact O-CB 3.23Å; I821-D825 PolarHBondContact O-N 2.94Å
822	K	98.8	Very high	98.3	Very high	1 Å²	1	7.2 Å²	7.2	0%	0.004	4%	0.041	C	C	.	.	H	α-helix	trans	-63	-34.4	175.4	-71.2	-174	78.3	59.5	0	113.3	A780 T781 F789 Q818 M819 I826 L887	A780-K822 HydrophobicContact CB-CD 4.49Å; A780-K822 HydrophobicContact CB-CG 4.48Å; A780-K822 WeakPolarHBondContact O-CD 3.25Å; A780-K822 WeakPolarHBondContact O-CE 3.43Å; A780-K822 WeakPolarHBondContact O-CG 3.44Å; A780-K822 PolarHBondContact O-NZ 3.26Å; T781-K822 PolarHBondContact O-NZ 2.92Å; F789-K822 HydrophobicContact CB-CD 4.35Å; F789-K822 HydrophobicContact CD2-CD 4.06Å; F789-K822 HydrophobicContact CG-CD 4.32Å; Q818-K822 WeakPolarHBondContact O-CB 3.47Å; Q818-K822 VanDerWaalsContact O-CG 3.27Å; Q818-K822 WeakPolarHBondContact O-CG 3.43Å; Q818-K822 PolarHBondContact O-N 3.22Å; M819-K822 PolarHBondContact O-N 3.48Å; K822-I826 WeakPolarHBondContact O-CG1 3.21Å; K822-L887 HydrophobicContact CB-CD2 4.01Å; K822-L887 WeakPolarHBondContact O-CD2 3.17Å
823	L	98.8	Very high	98.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-75.9	-33.8	175.9	-171	71.6	0	0	0	111.7	L640 M819 C820 I821 N827 L830 L887 C888 Y891	L640-L823 HydrophobicContact CD1-CB 4.43Å; L640-L823 HydrophobicContact CD1-CD2 4.06Å; L640-L823 HydrophobicContact CD1-CG 4.44Å; L640-L823 HydrophobicContact CD2-CD2 4.3Å; M819-L823 WeakPolarHBondContact O-CB 3.38Å; M819-L823 PolarHBondContact O-N 3.39Å; C820-L823 PolarHBondContact O-N 3.36Å; I821-L823 VanDerWaalsContact C-N 3.31Å; I821-L823 PolarHBondContact O-N 2.86Å; L823-N827 WeakPolarHBondContact O-CB 3.34Å; L823-N827 PolarHBondContact O-N 2.9Å; L823-L830 HydrophobicContact CD1-CD1 3.59Å; L823-L830 HydrophobicContact CG-CD1 3.92Å; L823-L887 HydrophobicContact CB-CD2 4.21Å; L823-L887 HydrophobicContact CB-CG 4.46Å; L823-L887 HydrophobicContact CD1-CD2 4.16Å; L823-L887 HydrophobicContact CD1-CG 3.97Å; L823-C888 HydrophobicContact CD1-CB 4.05Å; L823-Y891 HydrophobicContact CD2-CD1 3.53Å; L823-Y891 HydrophobicContact CD2-CE1 4.06Å; L823-Y891 HydrophobicContact CD2-CG 4.05Å
824	A	98.9	Very high	98.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-73.3	-34.6	176.5	0	0	0	0	0	113.5	V633 A636 V637 L640 C820 I821 N827	V633-A824 HydrophobicContact CG1-CB 4Å; A636-A824 HydrophobicContact CB-CB 3.61Å; V637-A824 HydrophobicContact CB-CB 4.45Å; V637-A824 HydrophobicContact CG1-CB 3.41Å; V637-A824 VanDerWaalsContact CG1-CB 3.41Å; L640-A824 HydrophobicContact CD1-CB 4.41Å; C820-A824 VanDerWaalsContact O-CB 3.31Å; C820-A824 WeakPolarHBondContact O-CB 3.27Å; C820-A824 PolarHBondContact O-N 3.22Å; I821-A824 PolarHBondContact O-N 3.24Å; A824-N827 WeakPolarHBondContact O-CB 3.33Å; A824-N827 PolarHBondContact O-ND2 3.05Å
825	D	98.9	Very high	98.5	Very high	21 Å²	21	16.1 Å²	16.1	11%	0.112	9%	0.085	C	C	.	.	H	α-helix	trans	-58.3	-65.2	173.8	169.7	3.3	0	0	0	110	H629 T781 I821 N827	H629-D825 VanDerWaalsContact NE2-C 3.28Å; H629-D825 PolarHBondContact NE2-O 3.39Å; H629-D825 IonicContact NE2-OD1 3.78Å; H629-D825 PolarHBondContact NE2-OD1 2.93Å; T781-D825 WeakPolarHBondContact CB-OD2 3.46Å; I821-D825 WeakPolarHBondContact O-CB 3.23Å; I821-D825 PolarHBondContact O-N 2.94Å; D825-N827 PolarHBondContact O-N 2.67Å
826	I	98.4	Very high	98.5	Very high	9 Å²	9	15.9 Å²	15.9	5%	0.046	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	26.5	-177.4	72.1	-173.7	0	0	0	114	L783 K822 G828 P829 F879 I883 V884 L887	L783-I826 HydrophobicContact CD2-CG2 4.24Å; K822-I826 WeakPolarHBondContact O-CG1 3.21Å; I826-G828 PolarHBondContact O-N 3.39Å; I826-G828 VanDerWaalsContact O-N 3.08Å; I826-P829 WeakPolarHBondContact O-CD 3.29Å; I826-F879 HydrophobicContact CB-CE1 4.35Å; I826-F879 HydrophobicContact CB-CZ 3.98Å; I826-F879 HydrophobicContact CG2-CZ 3.95Å; I826-I883 HydrophobicContact CD1-CG2 3.62Å; I826-V884 HydrophobicContact CB-CG2 4.37Å; I826-V884 HydrophobicContact CD1-CB 4.42Å; I826-V884 HydrophobicContact CD1-CG2 3.86Å; I826-V884 HydrophobicContact CG1-CG2 4.04Å; I826-L887 HydrophobicContact CD1-CD2 3.71Å; I826-L887 HydrophobicContact CG1-CD2 4.24Å
827	N	98.4	Very high	98.5	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.098	C	C	.	.			trans	-67.6	-12.7	-167.8	83.4	72.2	0	0	0	115.2	W565 D632 L823 A824 D825 L830 K831	W565-N827 HydrophobicContact CH2-CB 4.28Å; W565-N827 HydrophobicContact CZ2-CB 4.24Å; D632-N827 PolarHBondContact OD2-ND2 2.39Å; D632-N827 PolarHBondContact OD2-OD1 2.95Å; D632-N827 VanDerWaalsContact OD2-OD1 3.12Å; L823-N827 WeakPolarHBondContact O-CB 3.34Å; L823-N827 PolarHBondContact O-N 2.9Å; A824-N827 WeakPolarHBondContact O-CB 3.33Å; A824-N827 PolarHBondContact O-ND2 3.05Å; D825-N827 PolarHBondContact O-N 2.67Å; N827-L830 VanDerWaalsContact O-CA 3.32Å; N827-L830 WeakPolarHBondContact O-CA 3.42Å; N827-L830 WeakPolarHBondContact O-CB 3.34Å; N827-L830 PolarHBondContact O-N 3.06Å; N827-K831 PolarHBondContact O-N 2.07Å; N827-K831 WeakPolarHBondContact OD1-CE 3.39Å; N827-K831 WeakPolarHBondContact OD1-CG 3.25Å; N827-K831 PolarHBondContact OD1-NZ 2.98Å
828	G	98.2	Very high	98.5	Very high	4 Å²	4	22.2 Å²	22.2	4%	0.041	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-46	-54.8	-171.8	0	0	0	0	0	114.5	I826 L830 K831 H836	I826-G828 PolarHBondContact O-N 3.39Å; I826-G828 VanDerWaalsContact O-N 3.08Å; G828-L830 PolarHBondContact O-N 2.65Å; G828-L830 VanDerWaalsContact O-N 3.17Å; G828-K831 PolarHBondContact O-N 3.05Å; G828-K831 VanDerWaalsContact O-N 3.1Å; G828-H836 WeakPolarHBondContact O-CB 3.36Å; G828-H836 PolarHBondContact O-ND1 2.81Å
829	P	98.4	Very high	98.5	Very high	5 Å²	5	21.8 Å²	21.8	3%	0.032	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-68.1	-9.2	177.3	-22.3	35.5	0	0	0	115.7	I826 H836 I880 V884 L949 N952	I826-P829 WeakPolarHBondContact O-CD 3.29Å; P829-H836 VanDerWaalsContact CA-ND1 3.32Å; P829-H836 WeakPolarHBondContact CA-ND1 3.49Å; P829-I880 HydrophobicContact CB-CD1 3.85Å; P829-I880 HydrophobicContact CB-CG1 3.72Å; P829-I880 HydrophobicContact CG-CD1 4.28Å; P829-I880 HydrophobicContact CG-CG1 3.93Å; P829-V884 HydrophobicContact CB-CG1 4.44Å; P829-V884 HydrophobicContact CG-CG2 4.21Å; P829-L949 WeakPolarHBondContact O-CA 3.42Å; P829-N952 PolarHBondContact O-ND2 3.47Å
830	L	98.5	Very high	98.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-92.1	-11.1	174.7	-49	178.5	0	0	0	112.7	W565 L823 N827 G828 V884 C888 I945 H948 L949	W565-L830 HydrophobicContact CZ2-CB 4.01Å; W565-L830 PolarHBondContact NE1-O 3.43Å; L823-L830 HydrophobicContact CD1-CD1 3.59Å; L823-L830 HydrophobicContact CG-CD1 3.92Å; N827-L830 VanDerWaalsContact O-CA 3.32Å; N827-L830 WeakPolarHBondContact O-CA 3.42Å; N827-L830 WeakPolarHBondContact O-CB 3.34Å; N827-L830 PolarHBondContact O-N 3.06Å; G828-L830 PolarHBondContact O-N 2.65Å; G828-L830 VanDerWaalsContact O-N 3.17Å; L830-V884 HydrophobicContact CD1-CG1 4.42Å; L830-V884 HydrophobicContact CD2-CG1 3.63Å; L830-V884 HydrophobicContact CG-CG1 3.92Å; L830-C888 HydrophobicContact CD2-CB 4.22Å; L830-I945 HydrophobicContact CB-CG2 3.74Å; L830-I945 HydrophobicContact CD1-CG2 3.92Å; L830-I945 HydrophobicContact CD2-CG2 4.27Å; L830-I945 HydrophobicContact CG-CG2 4.2Å; L830-H948 VanDerWaalsContact O-CB 3.23Å; L830-H948 WeakPolarHBondContact O-CB 3.44Å; L830-H948 PolarHBondContact O-CD2 2.95Å; L830-L949 HydrophobicContact CD2-CB 3.82Å; L830-L949 HydrophobicContact CD2-CD1 3.94Å; L830-L949 HydrophobicContact CD2-CD2 4Å; L830-L949 HydrophobicContact CD2-CG 4.13Å
831	K	98.5	Very high	98.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-87.9	163.6	173.9	-61.5	-81	172.6	67.6	0	110	W565 D632 N827 G828 L835 N952	W565-K831 HydrophobicContact CD2-CD 4.38Å; W565-K831 HydrophobicContact CG-CD 4.49Å; W565-K831 HydrophobicContact CZ2-CD 4.47Å; W565-K831 WeakPolarHBondContact O-CD 3.42Å; W565-K831 WeakPolarHBondContact O-CE 3.44Å; D632-K831 IonicContact OD1-NZ 3.2Å; D632-K831 PolarHBondContact OD1-NZ 3.31Å; D632-K831 IonicContact OD2-NZ 3.34Å; D632-K831 PolarHBondContact OD2-NZ 3.42Å; N827-K831 PolarHBondContact O-N 2.07Å; N827-K831 WeakPolarHBondContact OD1-CE 3.39Å; N827-K831 WeakPolarHBondContact OD1-CG 3.25Å; N827-K831 PolarHBondContact OD1-NZ 2.98Å; G828-K831 PolarHBondContact O-N 3.05Å; G828-K831 VanDerWaalsContact O-N 3.1Å; K831-L835 HydrophobicContact CB-CB 3.87Å; K831-L835 HydrophobicContact CB-CD1 4.23Å; K831-L835 HydrophobicContact CD-CD1 4.27Å; K831-N952 PolarHBondContact O-ND2 2.87Å
832	C	98.1	Very high	98.4	Very high	34 Å²	34	28.3 Å²	28.3	23%	0.23	15%	0.145	C	C	.	.			trans	-55.8	151.1	174.7	69.2	0	0	0	0	111.8	N566 D834 L835 H836 H948	N566-C832 WeakPolarHBondContact OD1-CB 3.35Å; N566-C832 PolarHBondContact OD1-N 3.16Å; C832-D834 PolarHBondContact O-N 3Å; C832-L835 PolarHBondContact O-N 3.33Å; C832-H836 PolarHBondContact O-N 3.01Å; C832-H948 PolarHBondContact N-CD2 3.16Å
833	K	98	Very high	98.3	Very high	108 Å²	108	29.6 Å²	29.6	47%	0.47	15%	0.151	S	C	.	.	H	α-helix	trans	-42.9	-43.9	-174.7	173.2	174.2	172	165	0	114.7	H836 L837 N952 M955	K833-H836 PolarHBondContact O-N 3.01Å; K833-L837 HydrophobicContact CD-CD1 4.46Å; K833-L837 HydrophobicContact CG-CD1 3.85Å; K833-L837 HydrophobicContact CG-CG 4.31Å; K833-L837 WeakPolarHBondContact O-CB 3.49Å; K833-L837 VanDerWaalsContact O-CG 3.32Å; K833-L837 WeakPolarHBondContact O-CG 3.39Å; K833-L837 PolarHBondContact O-N 3.34Å; K833-N952 WeakPolarHBondContact CA-OD1 3.42Å; K833-M955 HydrophobicContact CD-SD 3.69Å; K833-M955 WeakPolarHBondContact CE-SD 3.3Å; K833-M955 HydrophobicContact CG-SD 4.07Å; K833-M955 PolarHBondContact NZ-SD 3.46Å; K833-M955 VanDerWaalsContact NZ-SD 3.44Å
834	D	97.9	Very high	98.2	Very high	113 Å²	113	30.1 Å²	30.1	60%	0.604	15%	0.154	S	C	*	.	H	α-helix	trans	-70.9	-33	-174.8	-59.4	-26.6	0	0	0	112.3	C832 Q838	C832-D834 PolarHBondContact O-N 3Å; D834-Q838 WeakPolarHBondContact O-CG 3.28Å; D834-Q838 PolarHBondContact O-N 2.92Å; D834-Q838 PolarHBondContact O-NE2 3.19Å
835	L	98.2	Very high	98.2	Very high	14 Å²	14	33 Å²	33	7%	0.073	17%	0.17	C	C	.	.	H	α-helix	trans	-75.3	-43.3	171	-68.1	176.7	0	0	0	111.1	N566 F570 K831 C832 L837 Q838 W839	N566-L835 HydrophobicContact CB-CD1 4Å; F570-L835 HydrophobicContact CD2-CD2 3.8Å; F570-L835 HydrophobicContact CE2-CD2 4.19Å; K831-L835 HydrophobicContact CB-CB 3.87Å; K831-L835 HydrophobicContact CB-CD1 4.23Å; K831-L835 HydrophobicContact CD-CD1 4.27Å; C832-L835 PolarHBondContact O-N 3.33Å; L835-L837 VanDerWaalsContact C-N 3.32Å; L835-L837 PolarHBondContact O-N 2.81Å; L835-Q838 PolarHBondContact O-N 3.43Å; L835-W839 PolarHBondContact O-N 2.73Å
836	H	98.6	Very high	98.1	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-55.3	-46	176.6	172.7	51.3	0	0	0	112	G828 P829 C832 K833 W839 T840 Q876 W956	G828-H836 WeakPolarHBondContact O-CB 3.36Å; G828-H836 PolarHBondContact O-ND1 2.81Å; P829-H836 VanDerWaalsContact CA-ND1 3.32Å; P829-H836 WeakPolarHBondContact CA-ND1 3.49Å; C832-H836 PolarHBondContact O-N 3.01Å; K833-H836 PolarHBondContact O-N 3.01Å; H836-W839 PolarHBondContact O-N 3.31Å; H836-T840 PolarHBondContact CE1-OG1 2.96Å; H836-T840 PolarHBondContact NE2-OG1 3.36Å; H836-T840 WeakPolarHBondContact O-CB 3.35Å; H836-T840 PolarHBondContact O-N 2.83Å; H836-T840 PolarHBondContact O-OG1 3.45Å; H836-Q876 PolarHBondContact CE1-OE1 3.31Å; H836-W956 AromaticContact CD2-NE1 3.79Å; H836-W956 AromaticContact CE1-NE1 3.96Å; H836-W956 AromaticContact NE2-CE2 3.58Å; H836-W956 AromaticContact NE2-CZ2 3.61Å; H836-W956 AromaticContact NE2-NE1 2.99Å; H836-W956 PolarHBondContact NE2-NE1 2.72Å
837	L	98.3	Very high	98.1	Very high	61 Å²	61	32.4 Å²	32.4	32%	0.319	17%	0.166	S	C	.	.	H	α-helix	trans	-67.7	-36.3	179.7	-73.7	175.5	0	0	0	113.1	K833 L835 T840 E841 M955 W956	K833-L837 HydrophobicContact CD-CD1 4.46Å; K833-L837 HydrophobicContact CG-CD1 3.85Å; K833-L837 HydrophobicContact CG-CG 4.31Å; K833-L837 WeakPolarHBondContact O-CB 3.49Å; K833-L837 VanDerWaalsContact O-CG 3.32Å; K833-L837 WeakPolarHBondContact O-CG 3.39Å; K833-L837 PolarHBondContact O-N 3.34Å; L835-L837 VanDerWaalsContact C-N 3.32Å; L835-L837 PolarHBondContact O-N 2.81Å; L837-T840 WeakPolarHBondContact O-CB 3.48Å; L837-T840 PolarHBondContact O-N 3.09Å; L837-E841 PolarHBondContact O-N 3.12Å; L837-M955 HydrophobicContact CD2-CE 3.95Å; L837-M955 HydrophobicContact CG-CE 4.37Å; L837-W956 HydrophobicContact CD2-CH2 3.84Å; L837-W956 HydrophobicContact CD2-CZ2 3.71Å
838	Q	98.2	Very high	98.1	Very high	80 Å²	80	33.6 Å²	33.6	37%	0.374	17%	0.17	S	C	.	.	H	α-helix	trans	-66.4	-42.4	174.5	-76.4	170.4	95.8	0	0	111.6	F570 D834 L835 E841 G842	F570-Q838 HydrophobicContact CD2-CB 4Å; F570-Q838 HydrophobicContact CD2-CG 4.43Å; F570-Q838 HydrophobicContact CE1-CB 4.44Å; F570-Q838 HydrophobicContact CE2-CB 3.55Å; F570-Q838 HydrophobicContact CE2-CG 4.46Å; F570-Q838 HydrophobicContact CZ-CB 3.8Å; D834-Q838 WeakPolarHBondContact O-CG 3.28Å; D834-Q838 PolarHBondContact O-N 2.92Å; D834-Q838 PolarHBondContact O-NE2 3.19Å; L835-Q838 PolarHBondContact O-N 3.43Å; Q838-E841 PolarHBondContact O-N 2.82Å; Q838-G842 PolarHBondContact O-N 3.34Å; Q838-G842 VanDerWaalsContact O-N 3.13Å
839	W	98.6	Very high	98.1	Very high	5 Å²	5	37 Å²	37	2%	0.019	19%	0.186	C	C	.	.	H	α-helix	trans	-64.1	-41.6	172.7	-75.6	134.5	0	0	0	112.3	I569 F570 Y624 I628 H629 D632 L835 H836 E841 G842 I843	I569-W839 HydrophobicContact CG2-CZ2 4.1Å; F570-W839 HydrophobicContact CE1-CH2 4.23Å; F570-W839 HydrophobicContact CE1-CZ2 4.48Å; F570-W839 HydrophobicContact CE1-CZ3 4.3Å; F570-W839 HydrophobicContact CE2-CD2 4.21Å; F570-W839 AromaticContact CE2-CE2 3.92Å; F570-W839 HydrophobicContact CE2-CZ2 4.14Å; F570-W839 AromaticContact CZ-CD2 3.7Å; F570-W839 HydrophobicContact CZ-CD2 3.7Å; F570-W839 AromaticContact CZ-CE2 3.67Å; F570-W839 AromaticContact CZ-CE3 3.81Å; F570-W839 HydrophobicContact CZ-CE3 3.81Å; F570-W839 HydrophobicContact CZ-CG 4.36Å; F570-W839 AromaticContact CZ-CH2 3.82Å; F570-W839 HydrophobicContact CZ-CH2 3.82Å; F570-W839 AromaticContact CZ-CZ2 3.72Å; F570-W839 HydrophobicContact CZ-CZ2 3.72Å; F570-W839 AromaticContact CZ-CZ3 3.88Å; F570-W839 HydrophobicContact CZ-CZ3 3.88Å; Y624-W839 AromaticContact CD2-CE3 3.67Å; Y624-W839 HydrophobicContact CD2-CE3 3.67Å; Y624-W839 HydrophobicContact CD2-CZ3 4.22Å; Y624-W839 HydrophobicContact CE2-CB 4.23Å; Y624-W839 HydrophobicContact CE2-CD2 4.06Å; Y624-W839 AromaticContact CE2-CE3 3.48Å; Y624-W839 HydrophobicContact CE2-CE3 3.48Å; Y624-W839 VanDerWaalsContact CE2-CE3 3.48Å; Y624-W839 HydrophobicContact CE2-CG 4.4Å; Y624-W839 HydrophobicContact CE2-CZ3 4.21Å; I628-W839 HydrophobicContact CB-CH2 4.1Å; I628-W839 HydrophobicContact CG2-CH2 3.81Å; I628-W839 HydrophobicContact CG2-CZ2 4.41Å; H629-W839 HydrophobicContact CB-CH2 4.06Å; H629-W839 HydrophobicContact CB-CZ3 4.01Å; D632-W839 HydrophobicContact CB-CH2 4.47Å; D632-W839 HydrophobicContact CB-CZ2 3.66Å; D632-W839 PolarHBondContact OD2-NE1 3.46Å; D632-W839 VanDerWaalsContact OD2-NE1 3.16Å; L835-W839 PolarHBondContact O-N 2.73Å; H836-W839 PolarHBondContact O-N 3.31Å; W839-E841 VanDerWaalsContact C-N 3.33Å; W839-E841 PolarHBondContact O-N 3.3Å; W839-G842 PolarHBondContact O-N 3.27Å; W839-I843 WeakPolarHBondContact O-CG1 3.34Å; W839-I843 PolarHBondContact O-N 3.09Å
840	T	98.4	Very high	98.1	Very high	4 Å²	4	36.9 Å²	36.9	3%	0.025	18%	0.184	C	C	.	.	H	α-helix	trans	-58.1	-42.8	174.6	-63.4	0	0	0	0	112.1	H836 L837 I843 V844 L872 Q876 W956	H836-T840 PolarHBondContact CE1-OG1 2.96Å; H836-T840 PolarHBondContact NE2-OG1 3.36Å; H836-T840 WeakPolarHBondContact O-CB 3.35Å; H836-T840 PolarHBondContact O-N 2.83Å; H836-T840 PolarHBondContact O-OG1 3.45Å; L837-T840 WeakPolarHBondContact O-CB 3.48Å; L837-T840 PolarHBondContact O-N 3.09Å; T840-I843 PolarHBondContact O-N 2.85Å; T840-V844 WeakPolarHBondContact O-CG2 3.46Å; T840-V844 PolarHBondContact O-N 3.5Å; T840-V844 VanDerWaalsContact O-N 3.09Å; T840-L872 HydrophobicContact CG2-CD1 3.42Å; T840-L872 VanDerWaalsContact CG2-CD1 3.42Å; T840-Q876 HydrophobicContact CG2-CG 3.95Å; T840-W956 HydrophobicContact CG2-CH2 4.27Å; T840-W956 HydrophobicContact CG2-CZ2 4.09Å
841	E	97.9	Very high	98.1	Very high	125 Å²	125	37 Å²	37	58%	0.584	19%	0.186	S	C	*	.	H	α-helix	trans	-62.7	-41.2	176	-179.1	168.7	-150.6	0	0	111.8	L837 Q838 W839 N845	L837-E841 PolarHBondContact O-N 3.12Å; Q838-E841 PolarHBondContact O-N 2.82Å; W839-E841 VanDerWaalsContact C-N 3.33Å; W839-E841 PolarHBondContact O-N 3.3Å; E841-N845 WeakPolarHBondContact CG-ND2 3.29Å; E841-N845 WeakPolarHBondContact O-CB 3.33Å; E841-N845 PolarHBondContact O-N 2.87Å; E841-N845 PolarHBondContact O-ND2 2.88Å
842	G	97.7	Very high	98	Very high	9 Å²	9	40.7 Å²	40.7	9%	0.093	21%	0.205	C	C	.	.	H	α-helix	trans	-57.7	-54.3	172.2	0	0	0	0	0	112.3	P623 Q838 W839 V844 N845 E846	P623-G842 WeakPolarHBondContact CB-O 3.09Å; P623-G842 WeakPolarHBondContact O-CA 3.27Å; Q838-G842 PolarHBondContact O-N 3.34Å; Q838-G842 VanDerWaalsContact O-N 3.13Å; W839-G842 PolarHBondContact O-N 3.27Å; G842-V844 PolarHBondContact O-N 3.31Å; G842-N845 PolarHBondContact O-N 3.13Å; G842-E846 PolarHBondContact O-N 3.33Å; G842-E846 VanDerWaalsContact O-N 3.13Å
843	I	97.2	Very high	98	Very high	28 Å²	28	42.4 Å²	42.4	14%	0.144	21%	0.21	C	C	.	.	H	α-helix	trans	-56.4	-51	-177.4	-64.6	166.7	0	0	0	111.2	Y624 W839 T840 N845 E846 F847	Y624-I843 HydrophobicContact CD1-CG1 4.05Å; Y624-I843 HydrophobicContact CD2-CD1 4.21Å; Y624-I843 HydrophobicContact CD2-CG1 3.38Å; Y624-I843 HydrophobicContact CE1-CG1 4.17Å; Y624-I843 HydrophobicContact CE2-CD1 3.82Å; Y624-I843 HydrophobicContact CE2-CG1 3.51Å; Y624-I843 HydrophobicContact CG-CG1 3.66Å; W839-I843 WeakPolarHBondContact O-CG1 3.34Å; W839-I843 PolarHBondContact O-N 3.09Å; T840-I843 PolarHBondContact O-N 2.85Å; I843-N845 PolarHBondContact O-N 3.41Å; I843-E846 PolarHBondContact O-N 3.11Å; I843-F847 HydrophobicContact CG2-CD1 4.24Å; I843-F847 HydrophobicContact CG2-CD2 4.14Å; I843-F847 HydrophobicContact CG2-CE1 3.8Å; I843-F847 HydrophobicContact CG2-CE2 3.69Å; I843-F847 HydrophobicContact CG2-CG 4.4Å; I843-F847 HydrophobicContact CG2-CZ 3.48Å; I843-F847 VanDerWaalsContact CG2-CZ 3.48Å; I843-F847 WeakPolarHBondContact O-CD1 3.36Å; I843-F847 WeakPolarHBondContact O-CG 3.49Å; I843-F847 PolarHBondContact O-N 3.29Å
844	V	96.9	Very high	98.1	Very high	11 Å²	11	37.6 Å²	37.6	7%	0.067	19%	0.189	C	C	.	.	H	α-helix	trans	-69.9	-33.3	-176	-60.4	0	0	0	0	112.8	T840 G842 E846 F847 Y848 L872 L875	T840-V844 WeakPolarHBondContact O-CG2 3.46Å; T840-V844 PolarHBondContact O-N 3.5Å; T840-V844 VanDerWaalsContact O-N 3.09Å; G842-V844 PolarHBondContact O-N 3.31Å; V844-E846 VanDerWaalsContact C-N 3.34Å; V844-F847 PolarHBondContact O-N 3.49Å; V844-Y848 HydrophobicContact CB-CD2 4.42Å; V844-Y848 HydrophobicContact CB-CE2 3.86Å; V844-Y848 HydrophobicContact CG2-CE2 3.97Å; V844-Y848 WeakPolarHBondContact O-CB 3.07Å; V844-Y848 WeakPolarHBondContact O-CD2 3.47Å; V844-Y848 PolarHBondContact O-N 3.34Å; V844-L872 HydrophobicContact CG1-CD1 3.76Å; V844-L875 HydrophobicContact CG1-CD2 3.97Å
845	N	98.1	Very high	98	Very high	60 Å²	60	35.9 Å²	35.9	32%	0.321	19%	0.186	S	C	.	.	H	α-helix	trans	-64.1	-40.9	174.9	-79.7	-54.2	0	0	0	111.6	P623 E841 G842 I843 Y848 E849	P623-N845 HydrophobicContact CB-CB 3.92Å; P623-N845 HydrophobicContact CG-CB 4.15Å; E841-N845 WeakPolarHBondContact CG-ND2 3.29Å; E841-N845 WeakPolarHBondContact O-CB 3.33Å; E841-N845 PolarHBondContact O-N 2.87Å; E841-N845 PolarHBondContact O-ND2 2.88Å; G842-N845 PolarHBondContact O-N 3.13Å; I843-N845 PolarHBondContact O-N 3.41Å; N845-Y848 PolarHBondContact O-N 3.01Å; N845-E849 WeakPolarHBondContact O-CG 3.37Å; N845-E849 PolarHBondContact O-N 3.38Å
846	E	98	Very high	98	Very high	5 Å²	5	39.7 Å²	39.7	2%	0.023	21%	0.214	C	C	.	.	H	α-helix	trans	-69.1	-39.8	176.6	-159.4	174.9	124.7	0	0	112.3	P623 Y624 H625 H713 G715 G842 I843 V844 Y848 E849 Q850	P623-E846 HydrophobicContact CB-CB 4.12Å; P623-E846 HydrophobicContact CG-CB 4.19Å; Y624-E846 WeakPolarHBondContact CA-OE2 3.32Å; Y624-E846 PolarHBondContact N-OE2 3.16Å; H625-E846 IonicContact CE1-OE1 3.4Å; H625-E846 PolarHBondContact CE1-OE1 3.26Å; H625-E846 IonicContact CG-OE1 2.67Å; H625-E846 PolarHBondContact N-OE2 3.19Å; H625-E846 VanDerWaalsContact N-OE2 3.16Å; H625-E846 IonicContact ND1-OE1 3.95Å; H625-E846 PolarHBondContact ND1-OE1 2.93Å; H625-E846 IonicContact ND1-OE2 2.76Å; H713-E846 IonicContact CE1-OE1 3.17Å; H713-E846 PolarHBondContact CE1-OE1 3Å; H713-E846 IonicContact ND1-OE1 3.65Å; G715-E846 VanDerWaalsContact CA-OE1 3.23Å; G715-E846 WeakPolarHBondContact CA-OE1 3.42Å; G842-E846 PolarHBondContact O-N 3.33Å; G842-E846 VanDerWaalsContact O-N 3.13Å; I843-E846 PolarHBondContact O-N 3.11Å; V844-E846 VanDerWaalsContact C-N 3.34Å; E846-Y848 VanDerWaalsContact C-N 3.34Å; E846-Y848 PolarHBondContact O-N 3.49Å; E846-E849 PolarHBondContact O-N 3.47Å; E846-Q850 PolarHBondContact O-N 3.23Å
847	F	98.1	Very high	97.9	Very high	12 Å²	12	44.1 Å²	44.1	5%	0.053	24%	0.237	C	C	.	.	H	α-helix	trans	-59.4	-43.9	171.2	-75.8	7.2	0	0	0	111.7	A437 T438 I843 V844 E849 Q850 G851 M865 L875	A437-F847 HydrophobicContact CB-CE1 4.26Å; A437-F847 HydrophobicContact CB-CZ 4.29Å; A437-F847 VanDerWaalsContact O-CZ 3.31Å; A437-F847 WeakPolarHBondContact O-CZ 3.49Å; T438-F847 HydrophobicContact CG2-CE2 3.96Å; T438-F847 HydrophobicContact CG2-CZ 4.47Å; I843-F847 HydrophobicContact CG2-CD1 4.24Å; I843-F847 HydrophobicContact CG2-CD2 4.14Å; I843-F847 HydrophobicContact CG2-CE1 3.8Å; I843-F847 HydrophobicContact CG2-CE2 3.69Å; I843-F847 HydrophobicContact CG2-CG 4.4Å; I843-F847 HydrophobicContact CG2-CZ 3.48Å; I843-F847 VanDerWaalsContact CG2-CZ 3.48Å; I843-F847 WeakPolarHBondContact O-CD1 3.36Å; I843-F847 WeakPolarHBondContact O-CG 3.49Å; I843-F847 PolarHBondContact O-N 3.29Å; V844-F847 PolarHBondContact O-N 3.49Å; F847-E849 VanDerWaalsContact C-N 3.29Å; F847-E849 PolarHBondContact O-N 3.24Å; F847-Q850 WeakPolarHBondContact O-CB 3.3Å; F847-Q850 PolarHBondContact O-N 3.39Å; F847-Q850 VanDerWaalsContact O-N 3.11Å; F847-G851 PolarHBondContact O-N 3.01Å; F847-M865 HydrophobicContact CB-CB 4.44Å; F847-M865 HydrophobicContact CB-CE 4.4Å; F847-M865 HydrophobicContact CB-CG 3.94Å; F847-M865 HydrophobicContact CB-SD 4.18Å; F847-M865 HydrophobicContact CD1-CE 3.91Å; F847-M865 HydrophobicContact CD2-CE 4.22Å; F847-M865 HydrophobicContact CD2-CG 4.48Å; F847-M865 HydrophobicContact CE1-CE 4.23Å; F847-M865 HydrophobicContact CG-CE 3.91Å; F847-M865 HydrophobicContact CG-CG 4.28Å; F847-M865 HydrophobicContact CG-SD 4.33Å; F847-M865 WeakPolarHBondContact O-CB 3.32Å; F847-L875 HydrophobicContact CD2-CD2 4.15Å; F847-L875 HydrophobicContact CE2-CD1 4.32Å; F847-L875 HydrophobicContact CE2-CD2 3.99Å
848	Y	98.3	Very high	97.9	Very high	26 Å²	26	44.4 Å²	44.4	10%	0.102	26%	0.255	C	S	.	.	H	α-helix	trans	-66.8	-29.6	177.2	-62	-30.5	0	0	0	112.9	V844 N845 E846 D852 M865 R867 P870	V844-Y848 HydrophobicContact CB-CD2 4.42Å; V844-Y848 HydrophobicContact CB-CE2 3.86Å; V844-Y848 HydrophobicContact CG2-CE2 3.97Å; V844-Y848 WeakPolarHBondContact O-CB 3.07Å; V844-Y848 WeakPolarHBondContact O-CD2 3.47Å; V844-Y848 PolarHBondContact O-N 3.34Å; N845-Y848 PolarHBondContact O-N 3.01Å; E846-Y848 VanDerWaalsContact C-N 3.34Å; E846-Y848 PolarHBondContact O-N 3.49Å; Y848-D852 PolarHBondContact O-N 2.86Å; Y848-M865 WeakPolarHBondContact CD1-O 3.29Å; Y848-R867 VanDerWaalsContact CB-CZ 3.43Å; Y848-R867 HydrophobicContact CD1-CB 3.81Å; Y848-R867 HydrophobicContact CD2-CB 4Å; Y848-R867 HydrophobicContact CE1-CB 4.32Å; Y848-R867 HydrophobicContact CE2-CB 4.5Å; Y848-R867 HydrophobicContact CG-CB 3.65Å; Y848-R867 PolarHBondContact O-NH2 3.12Å; Y848-P870 WeakPolarHBondContact OH-CB 3.45Å
849	E	98.4	Very high	97.7	Very high	77 Å²	77	43.5 Å²	43.5	36%	0.36	25%	0.252	S	S	.	.	H	α-helix	trans	-68.9	-35.2	169.3	-73.5	178.7	-168	0	0	112.4	R716 N845 E846 F847 E853	R716-E849 PolarHBondContact NH2-O 2.76Å; N845-E849 WeakPolarHBondContact O-CG 3.37Å; N845-E849 PolarHBondContact O-N 3.38Å; E846-E849 PolarHBondContact O-N 3.47Å; F847-E849 VanDerWaalsContact C-N 3.29Å; F847-E849 PolarHBondContact O-N 3.24Å; E849-E853 PolarHBondContact O-N 2.87Å
850	Q	98.2	Very high	97.6	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.009	29%	0.287	C	S	.	.	H	α-helix	trans	-66.6	-45.3	170.8	-177.1	178	-61.2	0	0	111	T717 F720 E846 F847 D852 E853 E854 M865	T717-Q850 PolarHBondContact OG1-NE2 2.85Å; T717-Q850 PolarHBondContact OG1-OE1 3.37Å; F720-Q850 HydrophobicContact CB-CG 4.35Å; F720-Q850 HydrophobicContact CD2-CG 3.71Å; F720-Q850 HydrophobicContact CE2-CG 4.24Å; F720-Q850 HydrophobicContact CG-CG 4.11Å; E846-Q850 PolarHBondContact O-N 3.23Å; F847-Q850 WeakPolarHBondContact O-CB 3.3Å; F847-Q850 PolarHBondContact O-N 3.39Å; F847-Q850 VanDerWaalsContact O-N 3.11Å; Q850-D852 PolarHBondContact O-N 3.45Å; Q850-E853 PolarHBondContact O-N 3.34Å; Q850-E853 VanDerWaalsContact O-N 3.07Å; Q850-E854 HydrophobicContact CG-CG 4.2Å; Q850-E854 PolarHBondContact NE2-OE1 3.39Å; Q850-E854 WeakPolarHBondContact O-CG 3.4Å; Q850-E854 PolarHBondContact O-N 3.16Å; Q850-M865 HydrophobicContact CB-SD 3.91Å; Q850-M865 HydrophobicContact CG-SD 3.97Å; Q850-M865 PolarHBondContact NE2-SD 2.82Å
851	G	97.8	Very high	97.5	Very high	3 Å²	3	51 Å²	51	3%	0.031	30%	0.3	C	S	.	.	H	α-helix	trans	-64.5	-37.1	-178.9	0	0	0	0	0	113.9	F847 E853 S855	F847-G851 PolarHBondContact O-N 3.01Å; G851-E853 VanDerWaalsContact C-N 3.3Å; G851-E853 PolarHBondContact O-N 3.01Å; G851-S855 VanDerWaalsContact O-CB 3.27Å; G851-S855 WeakPolarHBondContact O-CB 3.38Å; G851-S855 PolarHBondContact O-N 3.44Å
852	D	98.2	Very high	97.3	Very high	76 Å²	76	46.5 Å²	46.5	41%	0.406	28%	0.283	S	S	.	.	H	α-helix	trans	-60	-41.3	170.1	-72.1	-16.2	0	0	0	111.4	Y848 Q850 S856 R867	Y848-D852 PolarHBondContact O-N 2.86Å; Q850-D852 PolarHBondContact O-N 3.45Å; D852-S856 WeakPolarHBondContact O-CB 3.26Å; D852-S856 PolarHBondContact O-N 3.08Å; D852-R867 VanDerWaalsContact CG-NE 3.27Å; D852-R867 IonicContact OD1-CZ 2.79Å; D852-R867 IonicContact OD1-NE 2.91Å; D852-R867 PolarHBondContact OD1-NE 3.23Å; D852-R867 IonicContact OD1-NH2 2.67Å; D852-R867 IonicContact OD2-CZ 3.16Å; D852-R867 IonicContact OD2-NE 2.78Å; D852-R867 PolarHBondContact OD2-NE 3.44Å; D852-R867 IonicContact OD2-NH2 3.6Å; D852-R867 PolarHBondContact OD2-NH2 3.49Å
853	E	98.3	Very high	97.2	Very high	71 Å²	71	48.8 Å²	48.8	33%	0.332	30%	0.296	S	S	.	.	H	α-helix	trans	-71	-45.4	179.7	-168.9	173.9	164.2	0	0	111.9	R716 F720 E849 Q850 G851 S855 S856 L857	R716-E853 IonicContact CZ-OE2 3.63Å; R716-E853 IonicContact NE-OE2 3.23Å; R716-E853 PolarHBondContact NE-OE2 3.39Å; R716-E853 IonicContact NH2-OE2 2.73Å; R716-E853 PolarHBondContact NH2-OE2 3.03Å; F720-E853 HydrophobicContact CE2-CG 4.43Å; F720-E853 HydrophobicContact CZ-CB 4.48Å; F720-E853 HydrophobicContact CZ-CG 3.97Å; E849-E853 PolarHBondContact O-N 2.87Å; Q850-E853 PolarHBondContact O-N 3.34Å; Q850-E853 VanDerWaalsContact O-N 3.07Å; G851-E853 VanDerWaalsContact C-N 3.3Å; G851-E853 PolarHBondContact O-N 3.01Å; E853-S855 VanDerWaalsContact C-N 3.3Å; E853-S855 PolarHBondContact O-N 3.39Å; E853-S856 PolarHBondContact O-N 2.85Å; E853-S856 VanDerWaalsContact O-N 3.08Å; E853-S856 PolarHBondContact O-OG 2.86Å; E853-L857 HydrophobicContact CG-CD1 4.13Å; E853-L857 HydrophobicContact CG-CG 4.48Å; E853-L857 WeakPolarHBondContact O-CG 3.39Å; E853-L857 PolarHBondContact O-N 3.36Å
854	E	98.2	Very high	97	Very high	7 Å²	7	49.1 Å²	49.1	3%	0.033	30%	0.297	C	S	.	.	H	α-helix	trans	-52.8	-48.9	172.4	-71.7	170	160.3	0	0	111	F720 Q850 S856 L857 G858 L859 V861 S862	F720-E854 HydrophobicContact CD2-CG 3.63Å; F720-E854 HydrophobicContact CE2-CG 3.67Å; Q850-E854 HydrophobicContact CG-CG 4.2Å; Q850-E854 PolarHBondContact NE2-OE1 3.39Å; Q850-E854 WeakPolarHBondContact O-CG 3.4Å; Q850-E854 PolarHBondContact O-N 3.16Å; E854-S856 PolarHBondContact O-N 2.92Å; E854-L857 PolarHBondContact O-N 2.81Å; E854-G858 PolarHBondContact O-N 3.19Å; E854-L859 HydrophobicContact CB-CB 4.23Å; E854-L859 WeakPolarHBondContact O-CB 3.33Å; E854-L859 PolarHBondContact O-N 3.2Å; E854-V861 WeakPolarHBondContact OE2-CA 3.38Å; E854-S862 WeakPolarHBondContact OE1-CB 3.45Å; E854-S862 PolarHBondContact OE1-OG 3.33Å; E854-S862 WeakPolarHBondContact OE2-CB 3.37Å; E854-S862 PolarHBondContact OE2-N 3Å; E854-S862 PolarHBondContact OE2-OG 3Å
855	S	97	Very high	97.1	Very high	77 Å²	77	48.7 Å²	48.7	54%	0.538	29%	0.294	S	S	.	.	H	α-helix	trans	-59.6	-43.8	175.3	-171.6	0	0	0	0	112	G851 E853 L857 G858	G851-S855 VanDerWaalsContact O-CB 3.27Å; G851-S855 WeakPolarHBondContact O-CB 3.38Å; G851-S855 PolarHBondContact O-N 3.44Å; E853-S855 VanDerWaalsContact C-N 3.3Å; E853-S855 PolarHBondContact O-N 3.39Å; S855-L857 VanDerWaalsContact C-N 3.29Å; S855-L857 PolarHBondContact O-N 2.98Å; S855-G858 PolarHBondContact O-N 3.02Å; S855-G858 VanDerWaalsContact O-N 3.08Å
856	S	98	Very high	97	Very high	93 Å²	93	49 Å²	49	65%	0.65	30%	0.296	S	S	*	.	H	α-helix	trans	-65.3	-30.1	177.9	82.6	0	0	0	0	113.8	D852 E853 E854 G858	D852-S856 WeakPolarHBondContact O-CB 3.26Å; D852-S856 PolarHBondContact O-N 3.08Å; E853-S856 PolarHBondContact O-N 2.85Å; E853-S856 VanDerWaalsContact O-N 3.08Å; E853-S856 PolarHBondContact O-OG 2.86Å; E854-S856 PolarHBondContact O-N 2.92Å; S856-G858 VanDerWaalsContact C-N 3.3Å
857	L	97.3	Very high	96.8	Very high	94 Å²	94	53.7 Å²	53.7	49%	0.492	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-5.7	175.5	-67.1	172.6	0	0	0	112.8	F720 T724 E853 E854 S855 L859	F720-L857 HydrophobicContact CE2-CD1 4.3Å; F720-L857 HydrophobicContact CZ-CD1 4.08Å; T724-L857 HydrophobicContact CG2-CD1 3.93Å; E853-L857 HydrophobicContact CG-CD1 4.13Å; E853-L857 HydrophobicContact CG-CG 4.48Å; E853-L857 WeakPolarHBondContact O-CG 3.39Å; E853-L857 PolarHBondContact O-N 3.36Å; E854-L857 PolarHBondContact O-N 2.81Å; S855-L857 VanDerWaalsContact C-N 3.29Å; S855-L857 PolarHBondContact O-N 2.98Å; L857-L859 VanDerWaalsContact C-N 3.3Å; L857-L859 HydrophobicContact CB-CD1 4.25Å; L857-L859 HydrophobicContact CB-CG 4.07Å; L857-L859 HydrophobicContact CD1-CD1 4.29Å
858	G	96.6	Very high	96.6	Very high	67 Å²	67	57.3 Å²	57.3	69%	0.691	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	20.8	-175.3	0	0	0	0	0	113.8	E854 S855 S856	E854-G858 PolarHBondContact O-N 3.19Å; S855-G858 PolarHBondContact O-N 3.02Å; S855-G858 VanDerWaalsContact O-N 3.08Å; S856-G858 VanDerWaalsContact C-N 3.3Å
859	L	95.4	Very high	96.3	Very high	62 Å²	62	58.5 Å²	58.5	33%	0.325	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-82.8	155.9	171.9	-59.5	176.9	0	0	0	110.1	T724 E854 L857 V861	T724-L859 HydrophobicContact CG2-CD1 4.02Å; E854-L859 HydrophobicContact CB-CB 4.23Å; E854-L859 WeakPolarHBondContact O-CB 3.33Å; E854-L859 PolarHBondContact O-N 3.2Å; L857-L859 VanDerWaalsContact C-N 3.3Å; L857-L859 HydrophobicContact CB-CD1 4.25Å; L857-L859 HydrophobicContact CB-CG 4.07Å; L857-L859 HydrophobicContact CD1-CD1 4.29Å; L859-V861 PolarHBondContact O-N 3.29Å
860	P	95.9	Very high	95.9	Very high	116 Å²	116	58.5 Å²	58.5	75%	0.753	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-61.4	128.5	165	-16.5	30.8	0	0	0	109.4	S862	P860-S862 PolarHBondContact O-N 3.24Å
861	V	96	Very high	95.6	Very high	49 Å²	49	62.6 Å²	62.6	30%	0.297	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-64.4	132	175.1	179.9	0	0	0	0	109.5	E854 L859 M865 D866	E854-V861 WeakPolarHBondContact OE2-CA 3.38Å; L859-V861 PolarHBondContact O-N 3.29Å; V861-M865 HydrophobicContact CG1-CB 4.1Å; V861-D866 HydrophobicContact CG1-CB 3.91Å
862	S	94.7	Very high	95.4	Very high	32 Å²	32	65.2 Å²	65.2	22%	0.224	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-61.7	149.3	-178.5	-78.7	0	0	0	0	111.8	E854 P860 F864 M865	E854-S862 WeakPolarHBondContact OE1-CB 3.45Å; E854-S862 PolarHBondContact OE1-OG 3.33Å; E854-S862 WeakPolarHBondContact OE2-CB 3.37Å; E854-S862 PolarHBondContact OE2-N 3Å; E854-S862 PolarHBondContact OE2-OG 3Å; P860-S862 PolarHBondContact O-N 3.24Å; S862-F864 PolarHBondContact O-N 2.87Å; S862-M865 WeakPolarHBondContact O-CB 3.4Å; S862-M865 PolarHBondContact O-N 3.42Å
863	P	93.9	Very high	95.2	Very high	57 Å²	57	61.7 Å²	61.7	37%	0.37	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	136	176.3	-27.7	35.7	0	0	0	112	M865	P863-M865 PolarHBondContact O-N 2.94Å; P863-M865 VanDerWaalsContact O-N 3.15Å
864	F	94.6	Very high	95	Very high	35 Å²	35	63.4 Å²	63.4	15%	0.154	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	2.3	-178.4	-46.6	-88.1	0	0	0	115.9	T438 L440 S862 Q871 K874 L875	T438-F864 HydrophobicContact CG2-CD2 4.17Å; L440-F864 HydrophobicContact CD1-CD2 3.94Å; L440-F864 HydrophobicContact CD1-CE2 3.23Å; L440-F864 HydrophobicContact CD1-CZ 3.68Å; S862-F864 PolarHBondContact O-N 2.87Å; F864-Q871 HydrophobicContact CD1-CB 3.7Å; F864-Q871 HydrophobicContact CE1-CB 3.8Å; F864-K874 HydrophobicContact CE1-CB 4.31Å; F864-K874 HydrophobicContact CE1-CD 4.3Å; F864-K874 HydrophobicContact CE1-CG 4.08Å; F864-K874 HydrophobicContact CZ-CG 4.47Å; F864-L875 HydrophobicContact CB-CB 4.32Å; F864-L875 HydrophobicContact CB-CD1 4.11Å; F864-L875 HydrophobicContact CB-CD2 4.22Å; F864-L875 HydrophobicContact CB-CG 4.45Å; F864-L875 HydrophobicContact CD1-CB 3.65Å; F864-L875 HydrophobicContact CD1-CD1 4.42Å; F864-L875 HydrophobicContact CD2-CD1 4.22Å; F864-L875 HydrophobicContact CE1-CB 4.2Å; F864-L875 HydrophobicContact CG-CB 4.03Å; F864-L875 HydrophobicContact CG-CD1 3.98Å; F864-L875 HydrophobicContact CG-CG 4.46Å
865	M	97.4	Very high	94.8	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.01	39%	0.386	C	S	.	.			trans	-97.8	-2.5	-179.5	-53.4	-151.8	178.5	0	0	114.2	A437 T438 T717 F847 Y848 Q850 V861 S862 P863 R867	A437-M865 HydrophobicContact CB-CE 3.42Å; A437-M865 VanDerWaalsContact CB-CE 3.42Å; T438-M865 HydrophobicContact CG2-CE 4.38Å; T717-M865 HydrophobicContact CG2-CE 4.47Å; F847-M865 HydrophobicContact CB-CB 4.44Å; F847-M865 HydrophobicContact CB-CE 4.4Å; F847-M865 HydrophobicContact CB-CG 3.94Å; F847-M865 HydrophobicContact CB-SD 4.18Å; F847-M865 HydrophobicContact CD1-CE 3.91Å; F847-M865 HydrophobicContact CD2-CE 4.22Å; F847-M865 HydrophobicContact CD2-CG 4.48Å; F847-M865 HydrophobicContact CE1-CE 4.23Å; F847-M865 HydrophobicContact CG-CE 3.91Å; F847-M865 HydrophobicContact CG-CG 4.28Å; F847-M865 HydrophobicContact CG-SD 4.33Å; F847-M865 WeakPolarHBondContact O-CB 3.32Å; Y848-M865 WeakPolarHBondContact CD1-O 3.29Å; Q850-M865 HydrophobicContact CB-SD 3.91Å; Q850-M865 HydrophobicContact CG-SD 3.97Å; Q850-M865 PolarHBondContact NE2-SD 2.82Å; V861-M865 HydrophobicContact CG1-CB 4.1Å; S862-M865 WeakPolarHBondContact O-CB 3.4Å; S862-M865 PolarHBondContact O-N 3.42Å; P863-M865 PolarHBondContact O-N 2.94Å; P863-M865 VanDerWaalsContact O-N 3.15Å; M865-R867 PolarHBondContact O-N 3.19Å
866	D	96.3	Very high	94.8	Very high	66 Å²	66	59.8 Å²	59.8	35%	0.353	36%	0.362	S	S	.	.			trans	-84.1	108.9	174.4	-174.2	-0.6	0	0	0	111.5	V861 A868 A869	V861-D866 HydrophobicContact CG1-CB 3.91Å; D866-A868 PolarHBondContact O-N 3.34Å; D866-A868 WeakPolarHBondContact OD1-CA 3.37Å; D866-A868 VanDerWaalsContact OD1-CB 3.29Å; D866-A868 WeakPolarHBondContact OD1-CB 3.34Å; D866-A868 PolarHBondContact OD1-N 3.17Å; D866-A869 HydrophobicContact CB-CB 4.32Å; D866-A869 CarbonylContact O-C 3.56Å; D866-A869 VanDerWaalsContact O-C 3.3Å; D866-A869 PolarHBondContact O-N 3.44Å; D866-A869 VanDerWaalsContact O-N 3.15Å
867	R	95.4	Very high	94.8	Very high	103 Å²	103	56.8 Å²	56.8	39%	0.389	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-14.4	175	64.7	169.7	82	-113	9.1	114.4	Y848 D852 M865	Y848-R867 VanDerWaalsContact CB-CZ 3.43Å; Y848-R867 HydrophobicContact CD1-CB 3.81Å; Y848-R867 HydrophobicContact CD2-CB 4Å; Y848-R867 HydrophobicContact CE1-CB 4.32Å; Y848-R867 HydrophobicContact CE2-CB 4.5Å; Y848-R867 HydrophobicContact CG-CB 3.65Å; Y848-R867 PolarHBondContact O-NH2 3.12Å; D852-R867 VanDerWaalsContact CG-NE 3.27Å; D852-R867 IonicContact OD1-CZ 2.79Å; D852-R867 IonicContact OD1-NE 2.91Å; D852-R867 PolarHBondContact OD1-NE 3.23Å; D852-R867 IonicContact OD1-NH2 2.67Å; D852-R867 IonicContact OD2-CZ 3.16Å; D852-R867 IonicContact OD2-NE 2.78Å; D852-R867 PolarHBondContact OD2-NE 3.44Å; D852-R867 IonicContact OD2-NH2 3.6Å; D852-R867 PolarHBondContact OD2-NH2 3.49Å; M865-R867 PolarHBondContact O-N 3.19Å
868	A	94	Very high	94.6	Very high	88 Å²	88	53.3 Å²	53.3	73%	0.727	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-18	173.3	0	0	0	0	0	113	D866 P870	D866-A868 PolarHBondContact O-N 3.34Å; D866-A868 WeakPolarHBondContact OD1-CA 3.37Å; D866-A868 VanDerWaalsContact OD1-CB 3.29Å; D866-A868 WeakPolarHBondContact OD1-CB 3.34Å; D866-A868 PolarHBondContact OD1-N 3.17Å; A868-P870 VanDerWaalsContact C-CD 3.46Å
869	A	90.4	Very high	94.6	Very high	52 Å²	52	51.2 Å²	51.2	43%	0.43	29%	0.293	S	S	.	.	S	Bend	trans	-131.2	56.3	177.5	0	0	0	0	0	112.4	D866	D866-A869 HydrophobicContact CB-CB 4.32Å; D866-A869 CarbonylContact O-C 3.56Å; D866-A869 VanDerWaalsContact O-C 3.3Å; D866-A869 PolarHBondContact O-N 3.44Å; D866-A869 VanDerWaalsContact O-N 3.15Å
870	P	91.3	Very high	94.8	Very high	76 Å²	76	48.3 Å²	48.3	49%	0.494	28%	0.277	S	S	.	.			trans	-66.1	134.4	-172.6	29.2	-36.9	0	0	0	112.3	Y848 A868	Y848-P870 WeakPolarHBondContact OH-CB 3.45Å; A868-P870 VanDerWaalsContact C-CD 3.46Å
871	Q	91.8	Very high	94.8	Very high	88 Å²	88	44.8 Å²	44.8	41%	0.411	25%	0.254	S	S	.	.			trans	-123.9	47	175.7	-68.9	-178.7	34.6	0	0	110.8	F864 A873 K874 L875	F864-Q871 HydrophobicContact CD1-CB 3.7Å; F864-Q871 HydrophobicContact CE1-CB 3.8Å; Q871-A873 PolarHBondContact O-N 2.91Å; Q871-K874 HydrophobicContact CB-CB 4.47Å; Q871-K874 PolarHBondContact O-N 3.44Å; Q871-L875 PolarHBondContact O-N 2.96Å
872	L	93.5	Very high	94.8	Very high	59 Å²	59	46.5 Å²	46.5	31%	0.309	26%	0.259	S	S	.	.	H	α-helix	trans	-56.3	-48.4	-170.5	166.3	59.7	0	0	0	113.6	T840 V844 K874 L875 Q876 W956	T840-L872 HydrophobicContact CG2-CD1 3.42Å; T840-L872 VanDerWaalsContact CG2-CD1 3.42Å; V844-L872 HydrophobicContact CG1-CD1 3.76Å; L872-K874 VanDerWaalsContact C-N 3.29Å; L872-K874 PolarHBondContact O-N 2.99Å; L872-L875 WeakPolarHBondContact O-CB 3.47Å; L872-L875 PolarHBondContact O-N 2.76Å; L872-Q876 HydrophobicContact CD1-CG 3.8Å; L872-Q876 PolarHBondContact O-N 3.25Å; L872-W956 HydrophobicContact CD1-CH2 4.17Å; L872-W956 HydrophobicContact CD2-CH2 4.1Å; L872-W956 HydrophobicContact CD2-CZ3 4.29Å; L872-W956 HydrophobicContact CG-CH2 4Å; L872-W956 HydrophobicContact CG-CZ3 4.01Å
873	A	94.5	Very high	94.9	Very high	1 Å²	1	45 Å²	45	1%	0.008	25%	0.248	C	C	.	.	H	α-helix	trans	-63.3	-38.9	-176.7	0	0	0	0	0	112.1	Q871 Q876 E877 W956 V959 I960	Q871-A873 PolarHBondContact O-N 2.91Å; A873-Q876 PolarHBondContact O-N 3.21Å; A873-E877 WeakPolarHBondContact O-CB 3.44Å; A873-E877 PolarHBondContact O-N 3.33Å; A873-W956 HydrophobicContact CB-CE3 3.85Å; A873-W956 HydrophobicContact CB-CZ3 4.35Å; A873-V959 HydrophobicContact CB-CB 3.99Å; A873-V959 HydrophobicContact CB-CG1 3.56Å; A873-I960 HydrophobicContact CB-CG1 3.78Å
874	K	94.1	Very high	95.1	Very high	107 Å²	107	42.3 Å²	42.3	47%	0.465	23%	0.23	S	C	.	.	H	α-helix	trans	-71.1	-36.1	176	-177.8	178.5	168	-165.4	0	113.3	F864 Q871 L872 S878	F864-K874 HydrophobicContact CE1-CB 4.31Å; F864-K874 HydrophobicContact CE1-CD 4.3Å; F864-K874 HydrophobicContact CE1-CG 4.08Å; F864-K874 HydrophobicContact CZ-CG 4.47Å; Q871-K874 HydrophobicContact CB-CB 4.47Å; Q871-K874 PolarHBondContact O-N 3.44Å; L872-K874 VanDerWaalsContact C-N 3.29Å; L872-K874 PolarHBondContact O-N 2.99Å; K874-S878 WeakPolarHBondContact O-CB 3.36Å; K874-S878 PolarHBondContact O-N 2.7Å; K874-S878 VanDerWaalsContact O-N 3.09Å
875	L	94.1	Very high	95.2	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-57	-52.1	170.1	172.4	63.2	0	0	0	110.1	T438 V844 F847 F864 Q871 L872 S878 F879	T438-L875 HydrophobicContact CG2-CD1 4.14Å; V844-L875 HydrophobicContact CG1-CD2 3.97Å; F847-L875 HydrophobicContact CD2-CD2 4.15Å; F847-L875 HydrophobicContact CE2-CD1 4.32Å; F847-L875 HydrophobicContact CE2-CD2 3.99Å; F864-L875 HydrophobicContact CB-CB 4.32Å; F864-L875 HydrophobicContact CB-CD1 4.11Å; F864-L875 HydrophobicContact CB-CD2 4.22Å; F864-L875 HydrophobicContact CB-CG 4.45Å; F864-L875 HydrophobicContact CD1-CB 3.65Å; F864-L875 HydrophobicContact CD1-CD1 4.42Å; F864-L875 HydrophobicContact CD2-CD1 4.22Å; F864-L875 HydrophobicContact CE1-CB 4.2Å; F864-L875 HydrophobicContact CG-CB 4.03Å; F864-L875 HydrophobicContact CG-CD1 3.98Å; F864-L875 HydrophobicContact CG-CG 4.46Å; Q871-L875 PolarHBondContact O-N 2.96Å; L872-L875 WeakPolarHBondContact O-CB 3.47Å; L872-L875 PolarHBondContact O-N 2.76Å; L875-S878 PolarHBondContact O-N 2.91Å; L875-F879 WeakPolarHBondContact O-CB 3.28Å; L875-F879 PolarHBondContact O-N 3.36Å
876	Q	96.9	Very high	95.2	Very high	5 Å²	5	43 Å²	43	2%	0.023	24%	0.24	C	C	.	.	H	α-helix	trans	-71.9	-42.3	-174.4	-66.9	-63.8	-38.5	0	0	112.7	H836 T840 L872 A873 S878 I880 W956	H836-Q876 PolarHBondContact CE1-OE1 3.31Å; T840-Q876 HydrophobicContact CG2-CG 3.95Å; L872-Q876 HydrophobicContact CD1-CG 3.8Å; L872-Q876 PolarHBondContact O-N 3.25Å; A873-Q876 PolarHBondContact O-N 3.21Å; Q876-S878 VanDerWaalsContact C-N 3.33Å; Q876-S878 PolarHBondContact O-N 3.24Å; Q876-I880 VanDerWaalsContact O-CB 3.3Å; Q876-I880 WeakPolarHBondContact O-CB 3.43Å; Q876-I880 WeakPolarHBondContact O-CD1 3.49Å; Q876-I880 WeakPolarHBondContact O-CG1 3.46Å; Q876-I880 PolarHBondContact O-N 2.88Å; Q876-W956 HydrophobicContact CB-CD2 3.7Å; Q876-W956 HydrophobicContact CB-CE3 4.42Å; Q876-W956 HydrophobicContact CB-CG 3.77Å; Q876-W956 HydrophobicContact CB-CZ2 4.09Å; Q876-W956 HydrophobicContact CG-CD2 4.31Å; Q876-W956 HydrophobicContact CG-CH2 4.35Å; Q876-W956 HydrophobicContact CG-CZ2 3.82Å
877	E	96.3	Very high	95.3	Very high	30 Å²	30	39.9 Å²	39.9	14%	0.14	22%	0.224	C	C	.	.	H	α-helix	trans	-58.1	-45.9	173.9	-170	-72.7	144	0	0	111.4	A873 I880 T881 H953 W956 K957 I960	A873-E877 WeakPolarHBondContact O-CB 3.44Å; A873-E877 PolarHBondContact O-N 3.33Å; E877-I880 PolarHBondContact O-N 2.91Å; E877-T881 WeakPolarHBondContact O-CB 3.45Å; E877-T881 PolarHBondContact O-N 3.2Å; E877-T881 PolarHBondContact O-OG1 2.88Å; E877-T881 VanDerWaalsContact O-OG1 3.05Å; E877-T881 PolarHBondContact OE1-OG1 3.35Å; E877-H953 WeakPolarHBondContact CG-NE2 3.38Å; E877-H953 PolarHBondContact O-NE2 3.05Å; E877-H953 IonicContact OE1-NE2 2.68Å; E877-H953 PolarHBondContact OE1-NE2 2.96Å; E877-W956 HydrophobicContact CB-CB 4.21Å; E877-K957 HydrophobicContact CG-CG 3.7Å; E877-K957 WeakPolarHBondContact OE1-CE 3.3Å; E877-K957 IonicContact OE1-NZ 3.18Å; E877-K957 PolarHBondContact OE1-NZ 3.2Å; E877-I960 HydrophobicContact CB-CD1 3.65Å; E877-I960 HydrophobicContact CG-CD1 3.91Å
878	S	94.4	Very high	95.4	Very high	21 Å²	21	35 Å²	35	15%	0.147	21%	0.205	C	C	.	.	H	α-helix	trans	-76.3	-36	-173.9	-157.5	0	0	0	0	112	L440 K874 L875 Q876 T881 H882	L440-S878 WeakPolarHBondContact CD2-OG 3.31Å; K874-S878 WeakPolarHBondContact O-CB 3.36Å; K874-S878 PolarHBondContact O-N 2.7Å; K874-S878 VanDerWaalsContact O-N 3.09Å; L875-S878 PolarHBondContact O-N 2.91Å; Q876-S878 VanDerWaalsContact C-N 3.33Å; Q876-S878 PolarHBondContact O-N 3.24Å; S878-T881 PolarHBondContact O-N 3.02Å; S878-H882 WeakPolarHBondContact O-CB 3.48Å; S878-H882 PolarHBondContact O-CD2 2.7Å; S878-H882 VanDerWaalsContact O-CD2 3.24Å; S878-H882 PolarHBondContact O-N 3.01Å; S878-H882 PolarHBondContact OG-CD2 3.38Å; S878-H882 VanDerWaalsContact OG-CD2 3.22Å
879	F	96.9	Very high	95.4	Very high	22 Å²	22	35.2 Å²	35.2	10%	0.096	19%	0.194	C	C	.	.	H	α-helix	trans	-63	-41.7	170.6	-176.6	-110.5	0	0	0	112.1	L783 I826 L875 I883 V884	L783-F879 HydrophobicContact CD1-CE2 4.45Å; I826-F879 HydrophobicContact CB-CE1 4.35Å; I826-F879 HydrophobicContact CB-CZ 3.98Å; I826-F879 HydrophobicContact CG2-CZ 3.95Å; L875-F879 WeakPolarHBondContact O-CB 3.28Å; L875-F879 PolarHBondContact O-N 3.36Å; F879-I883 HydrophobicContact CD2-CB 4.03Å; F879-I883 HydrophobicContact CD2-CG1 3.9Å; F879-I883 HydrophobicContact CD2-CG2 4.49Å; F879-I883 HydrophobicContact CE2-CB 4.01Å; F879-I883 HydrophobicContact CE2-CG1 4.13Å; F879-I883 HydrophobicContact CE2-CG2 3.97Å; F879-I883 HydrophobicContact CZ-CG2 4.41Å; F879-I883 WeakPolarHBondContact O-CB 3.39Å; F879-I883 PolarHBondContact O-N 3.21Å; F879-V884 HydrophobicContact CD1-CG2 3.64Å; F879-V884 HydrophobicContact CE1-CG2 3.34Å; F879-V884 HydrophobicContact CG-CG2 4.48Å; F879-V884 HydrophobicContact CZ-CG2 3.99Å; F879-V884 PolarHBondContact O-N 3.23Å; F879-V884 VanDerWaalsContact O-N 3.15Å
880	I	97.7	Very high	95.6	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	18%	0.178	C	C	.	.	I	π-helix	trans	-64.3	-48.3	173.6	-71.2	166.7	0	0	0	110.9	P829 Q876 E877 H882 G885 L949 H953	P829-I880 HydrophobicContact CB-CD1 3.85Å; P829-I880 HydrophobicContact CB-CG1 3.72Å; P829-I880 HydrophobicContact CG-CD1 4.28Å; P829-I880 HydrophobicContact CG-CG1 3.93Å; Q876-I880 VanDerWaalsContact O-CB 3.3Å; Q876-I880 WeakPolarHBondContact O-CB 3.43Å; Q876-I880 WeakPolarHBondContact O-CD1 3.49Å; Q876-I880 WeakPolarHBondContact O-CG1 3.46Å; Q876-I880 PolarHBondContact O-N 2.88Å; E877-I880 PolarHBondContact O-N 2.91Å; I880-H882 PolarHBondContact O-N 3.1Å; I880-G885 WeakPolarHBondContact O-CA 3.47Å; I880-G885 PolarHBondContact O-N 2.88Å; I880-L949 HydrophobicContact CG2-CD1 3.75Å; I880-H953 HydrophobicContact CG2-CB 3.85Å
881	T	96.9	Very high	95.9	Very high	42 Å²	42	29.7 Å²	29.7	26%	0.258	15%	0.154	S	C	.	.	I	π-helix	trans	-66.9	-31.3	-177.2	-68.5	0	0	0	0	113.4	E877 S878 H953	E877-T881 WeakPolarHBondContact O-CB 3.45Å; E877-T881 PolarHBondContact O-N 3.2Å; E877-T881 PolarHBondContact O-OG1 2.88Å; E877-T881 VanDerWaalsContact O-OG1 3.05Å; E877-T881 PolarHBondContact OE1-OG1 3.35Å; S878-T881 PolarHBondContact O-N 3.02Å; T881-H953 WeakPolarHBondContact CB-NE2 3.44Å; T881-H953 PolarHBondContact OG1-CE1 3.41Å; T881-H953 PolarHBondContact OG1-NE2 3.23Å
882	H	95	Very high	95.9	Very high	86 Å²	86	28.6 Å²	28.6	40%	0.398	15%	0.151	S	C	.	.	I	π-helix	trans	-110.2	-20.5	-172	-60.3	-45.1	0	0	0	116.1	S878 I880	S878-H882 WeakPolarHBondContact O-CB 3.48Å; S878-H882 PolarHBondContact O-CD2 2.7Å; S878-H882 VanDerWaalsContact O-CD2 3.24Å; S878-H882 PolarHBondContact O-N 3.01Å; S878-H882 PolarHBondContact OG-CD2 3.38Å; S878-H882 VanDerWaalsContact OG-CD2 3.22Å; I880-H882 PolarHBondContact O-N 3.1Å
883	I	97	Very high	95.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.169	C	C	.	.	I	π-helix	trans	-121.4	-63.9	-175.5	-50.5	-64.1	0	0	0	110.7	L783 H786 F787 I826 F879 L887	L783-I883 HydrophobicContact CD2-CG2 4.4Å; H786-I883 WeakPolarHBondContact CE1-CG2 3.41Å; H786-I883 PolarHBondContact CE1-O 2.8Å; H786-I883 PolarHBondContact NE2-O 2.91Å; F787-I883 HydrophobicContact CE2-CD1 4.22Å; F787-I883 HydrophobicContact CZ-CD1 3.79Å; I826-I883 HydrophobicContact CD1-CG2 3.62Å; F879-I883 HydrophobicContact CD2-CB 4.03Å; F879-I883 HydrophobicContact CD2-CG1 3.9Å; F879-I883 HydrophobicContact CD2-CG2 4.49Å; F879-I883 HydrophobicContact CE2-CB 4.01Å; F879-I883 HydrophobicContact CE2-CG1 4.13Å; F879-I883 HydrophobicContact CE2-CG2 3.97Å; F879-I883 HydrophobicContact CZ-CG2 4.41Å; F879-I883 WeakPolarHBondContact O-CB 3.39Å; F879-I883 PolarHBondContact O-N 3.21Å; I883-L887 WeakPolarHBondContact O-CB 3.37Å; I883-L887 PolarHBondContact O-N 2.67Å
884	V	98.1	Very high	95.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.177	C	C	.	.	I	π-helix	trans	-69.5	-43.6	-172.8	-173	0	0	0	0	111.7	I826 P829 L830 F879 L887 C888 L949	I826-V884 HydrophobicContact CB-CG2 4.37Å; I826-V884 HydrophobicContact CD1-CB 4.42Å; I826-V884 HydrophobicContact CD1-CG2 3.86Å; I826-V884 HydrophobicContact CG1-CG2 4.04Å; P829-V884 HydrophobicContact CB-CG1 4.44Å; P829-V884 HydrophobicContact CG-CG2 4.21Å; L830-V884 HydrophobicContact CD1-CG1 4.42Å; L830-V884 HydrophobicContact CD2-CG1 3.63Å; L830-V884 HydrophobicContact CG-CG1 3.92Å; F879-V884 HydrophobicContact CD1-CG2 3.64Å; F879-V884 HydrophobicContact CE1-CG2 3.34Å; F879-V884 HydrophobicContact CG-CG2 4.48Å; F879-V884 HydrophobicContact CZ-CG2 3.99Å; F879-V884 PolarHBondContact O-N 3.23Å; F879-V884 VanDerWaalsContact O-N 3.15Å; V884-L887 PolarHBondContact O-N 2.7Å; V884-C888 VanDerWaalsContact O-CB 3.27Å; V884-C888 WeakPolarHBondContact O-CB 3.33Å; V884-C888 PolarHBondContact O-N 2.63Å; V884-L949 HydrophobicContact CG1-CD1 4.08Å
885	G	97.4	Very high	95.4	Very high	10 Å²	10	27.9 Å²	27.9	10%	0.103	17%	0.172	C	C	.	.	H	α-helix	trans	-60.8	-56.3	179.9	0	0	0	0	0	113.1	I880 L887 C888 N889	I880-G885 WeakPolarHBondContact O-CA 3.47Å; I880-G885 PolarHBondContact O-N 2.88Å; G885-L887 VanDerWaalsContact C-N 3.32Å; G885-L887 PolarHBondContact O-N 3.26Å; G885-C888 PolarHBondContact O-N 2.98Å; G885-N889 VanDerWaalsContact O-CB 3.3Å; G885-N889 WeakPolarHBondContact O-CB 3.44Å; G885-N889 PolarHBondContact O-N 3.16Å; G885-N889 PolarHBondContact O-ND2 3.1Å; G885-N889 PolarHBondContact O-OD1 2.98Å
886	P	97.6	Very high	95.4	Very high	42 Å²	42	27.8 Å²	27.8	27%	0.273	17%	0.171	S	C	.	.	H	α-helix	trans	-56.1	-43	175.7	-28.8	37.9	0	0	0	113.4	L790 N889 S890	L790-P886 HydrophobicContact CD1-CB 4.01Å; P886-N889 PolarHBondContact O-N 3.33Å; P886-S890 WeakPolarHBondContact O-CB 3.3Å; P886-S890 PolarHBondContact O-N 2.73Å; P886-S890 PolarHBondContact O-OG 3.01Å
887	L	97.9	Very high	95.3	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-63.3	-48.3	178.1	-175.9	61.5	0	0	0	112.5	M819 K822 L823 I826 I883 V884 G885 S890 Y891	M819-L887 HydrophobicContact CE-CD1 3.32Å; M819-L887 HydrophobicContact SD-CD1 3.95Å; K822-L887 HydrophobicContact CB-CD2 4.01Å; K822-L887 WeakPolarHBondContact O-CD2 3.17Å; L823-L887 HydrophobicContact CB-CD2 4.21Å; L823-L887 HydrophobicContact CB-CG 4.46Å; L823-L887 HydrophobicContact CD1-CD2 4.16Å; L823-L887 HydrophobicContact CD1-CG 3.97Å; I826-L887 HydrophobicContact CD1-CD2 3.71Å; I826-L887 HydrophobicContact CG1-CD2 4.24Å; I883-L887 WeakPolarHBondContact O-CB 3.37Å; I883-L887 PolarHBondContact O-N 2.67Å; V884-L887 PolarHBondContact O-N 2.7Å; G885-L887 VanDerWaalsContact C-N 3.32Å; G885-L887 PolarHBondContact O-N 3.26Å; L887-S890 PolarHBondContact O-N 3.25Å; L887-Y891 WeakPolarHBondContact O-CB 3.25Å; L887-Y891 PolarHBondContact O-N 3.45Å; L887-Y891 VanDerWaalsContact O-N 3.12Å
888	C	97.4	Very high	95.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.3	-45.2	178	-166.6	0	0	0	0	111.3	L823 L830 V884 G885 S890 Y891 D892 L949	L823-C888 HydrophobicContact CD1-CB 4.05Å; L830-C888 HydrophobicContact CD2-CB 4.22Å; V884-C888 VanDerWaalsContact O-CB 3.27Å; V884-C888 WeakPolarHBondContact O-CB 3.33Å; V884-C888 PolarHBondContact O-N 2.63Å; G885-C888 PolarHBondContact O-N 2.98Å; C888-S890 PolarHBondContact O-N 3.37Å; C888-Y891 PolarHBondContact O-N 3.3Å; C888-D892 WeakPolarHBondContact O-CB 3.38Å; C888-D892 PolarHBondContact O-N 3.32Å; C888-L949 HydrophobicContact CB-CD2 3.74Å
889	N	95	Very high	95	Very high	92 Å²	92	26.7 Å²	26.7	49%	0.492	17%	0.169	S	C	.	.	H	α-helix	trans	-63.1	-40.1	-179.7	-68.7	-9.6	0	0	0	112.2	G885 P886 S893	G885-N889 VanDerWaalsContact O-CB 3.3Å; G885-N889 WeakPolarHBondContact O-CB 3.44Å; G885-N889 PolarHBondContact O-N 3.16Å; G885-N889 PolarHBondContact O-ND2 3.1Å; G885-N889 PolarHBondContact O-OD1 2.98Å; P886-N889 PolarHBondContact O-N 3.33Å; N889-S893 VanDerWaalsContact O-CB 3.3Å; N889-S893 WeakPolarHBondContact O-CB 3.49Å; N889-S893 PolarHBondContact O-N 3.39Å; N889-S893 PolarHBondContact O-OG 3.21Å
890	S	94.9	Very high	94.7	Very high	12 Å²	12	32.2 Å²	32.2	8%	0.084	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-42.5	174.5	-76.7	0	0	0	0	112	L790 N794 P886 L887 C888 S893 A894	L790-S890 WeakPolarHBondContact CD2-OG 3.48Å; N794-S890 PolarHBondContact ND2-OG 3.38Å; N794-S890 WeakPolarHBondContact OD1-CB 3.31Å; N794-S890 PolarHBondContact OD1-OG 3.03Å; P886-S890 WeakPolarHBondContact O-CB 3.3Å; P886-S890 PolarHBondContact O-N 2.73Å; P886-S890 PolarHBondContact O-OG 3.01Å; L887-S890 PolarHBondContact O-N 3.25Å; C888-S890 PolarHBondContact O-N 3.37Å; S890-S893 PolarHBondContact O-N 3.31Å; S890-A894 WeakPolarHBondContact O-CB 3.45Å; S890-A894 PolarHBondContact O-N 2.99Å
891	Y	95.6	Very high	94.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-72.1	-30.3	-179.3	-157.8	-104.9	0	0	0	112.5	L640 L690 F793 M819 L823 L887 C888 L896 I897	L640-Y891 HydrophobicContact CD2-CE1 4.49Å; L690-Y891 WeakPolarHBondContact CD1-OH 3.26Å; F793-Y891 HydrophobicContact CE1-CD2 4.47Å; F793-Y891 HydrophobicContact CZ-CD2 4.1Å; M819-Y891 HydrophobicContact CB-CD2 4.07Å; M819-Y891 HydrophobicContact CB-CE2 4.16Å; L823-Y891 HydrophobicContact CD2-CD1 3.53Å; L823-Y891 HydrophobicContact CD2-CE1 4.06Å; L823-Y891 HydrophobicContact CD2-CG 4.05Å; L887-Y891 WeakPolarHBondContact O-CB 3.25Å; L887-Y891 PolarHBondContact O-N 3.45Å; L887-Y891 VanDerWaalsContact O-N 3.12Å; C888-Y891 PolarHBondContact O-N 3.3Å; Y891-L896 HydrophobicContact CD1-CB 4.06Å; Y891-L896 HydrophobicContact CD2-CB 4.38Å; Y891-L896 HydrophobicContact CD2-CD1 4.03Å; Y891-L896 HydrophobicContact CE1-CB 3.73Å; Y891-L896 HydrophobicContact CE2-CB 4.1Å; Y891-L896 HydrophobicContact CE2-CD1 3.66Å; Y891-L896 HydrophobicContact CG-CB 4.37Å; Y891-L896 PolarHBondContact O-N 2.95Å; Y891-I897 HydrophobicContact CD1-CD1 4.37Å; Y891-I897 HydrophobicContact CD1-CG1 3.59Å; Y891-I897 HydrophobicContact CE1-CG1 4.32Å
892	D	92.8	Very high	93.6	Very high	66 Å²	66	36.5 Å²	36.5	35%	0.353	21%	0.207	S	C	.	.	H	α-helix	trans	-69.4	-45	169.7	-158.3	49	0	0	0	111.5	C888 A894 G895 I897	C888-D892 WeakPolarHBondContact O-CB 3.38Å; C888-D892 PolarHBondContact O-N 3.32Å; D892-A894 VanDerWaalsContact C-N 3.25Å; D892-A894 PolarHBondContact O-N 3.18Å; D892-G895 WeakPolarHBondContact O-CA 3.38Å; D892-G895 PolarHBondContact O-N 2.9Å; D892-I897 HydrophobicContact CB-CD1 3.62Å; D892-I897 HydrophobicContact CB-CG1 4.35Å
893	S	90.1	Very high	92.6	Very high	96 Å²	96	39.3 Å²	39.3	67%	0.671	22%	0.221	S	C	*	.	H	α-helix	trans	-63.1	-31.3	177.5	-58.4	0	0	0	0	112.6	N889 S890 G895	N889-S893 VanDerWaalsContact O-CB 3.3Å; N889-S893 WeakPolarHBondContact O-CB 3.49Å; N889-S893 PolarHBondContact O-N 3.39Å; N889-S893 PolarHBondContact O-OG 3.21Å; S890-S893 PolarHBondContact O-N 3.31Å; S893-G895 PolarHBondContact O-N 2.86Å
894	A	91.1	Very high	90.7	Very high	22 Å²	22	42.2 Å²	42.2	18%	0.182	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-6.2	171.3	0	0	0	0	0	114	F793 V797 I805 S890 D892 L896	F793-A894 HydrophobicContact CE1-CB 3.75Å; F793-A894 HydrophobicContact CZ-CB 3.5Å; F793-A894 VanDerWaalsContact CZ-CB 3.5Å; V797-A894 HydrophobicContact CB-CB 4.46Å; V797-A894 HydrophobicContact CG1-CB 3.72Å; V797-A894 HydrophobicContact CG2-CB 3.8Å; I805-A894 HydrophobicContact CD1-CB 4.49Å; S890-A894 WeakPolarHBondContact O-CB 3.45Å; S890-A894 PolarHBondContact O-N 2.99Å; D892-A894 VanDerWaalsContact C-N 3.25Å; D892-A894 PolarHBondContact O-N 3.18Å; A894-L896 HydrophobicContact CB-CD1 3.98Å; A894-L896 HydrophobicContact CB-CG 3.72Å; A894-L896 WeakPolarHBondContact O-CD2 3.44Å
895	G	91.1	Very high	88.3	Confident	34 Å²	34	49.5 Å²	49.5	35%	0.351	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	32.2	-178.1	0	0	0	0	0	113.4	V645 D892 S893	V645-G895 WeakPolarHBondContact CG1-O 3.46Å; D892-G895 WeakPolarHBondContact O-CA 3.38Å; D892-G895 PolarHBondContact O-N 2.9Å; S893-G895 PolarHBondContact O-N 2.86Å
896	L	93.8	Very high	85.8	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	31%	0.309	C	S	.	.			trans	-107.2	-6.1	-174.6	-51.2	-174.7	0	0	0	114.3	L648 L690 F793 I805 W807 V816 Y891 A894	L648-L896 HydrophobicContact CD1-CD2 3.96Å; L690-L896 HydrophobicContact CD2-CD2 4.12Å; F793-L896 HydrophobicContact CE2-CD1 4.28Å; F793-L896 HydrophobicContact CZ-CD1 3.88Å; I805-L896 HydrophobicContact CD1-CD1 3.88Å; I805-L896 HydrophobicContact CD1-CD2 4.11Å; I805-L896 HydrophobicContact CD1-CG 4.41Å; W807-L896 HydrophobicContact CH2-CD2 3.94Å; W807-L896 HydrophobicContact CZ2-CD2 3.94Å; V816-L896 HydrophobicContact CG1-CD1 4.08Å; V816-L896 HydrophobicContact CG2-CD1 4.12Å; Y891-L896 HydrophobicContact CD1-CB 4.06Å; Y891-L896 HydrophobicContact CD2-CB 4.38Å; Y891-L896 HydrophobicContact CD2-CD1 4.03Å; Y891-L896 HydrophobicContact CE1-CB 3.73Å; Y891-L896 HydrophobicContact CE2-CB 4.1Å; Y891-L896 HydrophobicContact CE2-CD1 3.66Å; Y891-L896 HydrophobicContact CG-CB 4.37Å; Y891-L896 PolarHBondContact O-N 2.95Å; A894-L896 HydrophobicContact CB-CD1 3.98Å; A894-L896 HydrophobicContact CB-CG 3.72Å; A894-L896 WeakPolarHBondContact O-CD2 3.44Å
897	I	94.2	Very high	83.3	Confident	6 Å²	6	60.1 Å²	60.1	3%	0.031	33%	0.328	C	S	.	.	S	Bend	trans	-83	129.4	-179	-64.9	-176.1	0	0	0	111.5	Y891 D892 C943 I945 T946	Y891-I897 HydrophobicContact CD1-CD1 4.37Å; Y891-I897 HydrophobicContact CD1-CG1 3.59Å; Y891-I897 HydrophobicContact CE1-CG1 4.32Å; D892-I897 HydrophobicContact CB-CD1 3.62Å; D892-I897 HydrophobicContact CB-CG1 4.35Å; I897-C943 HydrophobicContact CG2-CB 4.48Å; I897-C943 WeakPolarHBondContact CG2-SG 3.36Å; I897-I945 HydrophobicContact CG2-CB 4.31Å; I897-I945 HydrophobicContact CG2-CD1 4.06Å; I897-I945 HydrophobicContact CG2-CG1 4.38Å; I897-T946 HydrophobicContact CD1-CG2 4.25Å
898	P	94	Very high	80.6	Confident	7 Å²	7	69.1 Å²	69.1	5%	0.045	37%	0.37	C	S	.	.			trans	-59.7	136.5	172.1	-25	34.5	0	0	0	113.5	Y639 Q643 P644 V645	Y639-P898 HydrophobicContact CD1-CG 4.5Å; Y639-P898 HydrophobicContact CE1-CB 4.2Å; Y639-P898 HydrophobicContact CE1-CG 4.38Å; Q643-P898 HydrophobicContact CB-CB 3.78Å; Q643-P898 HydrophobicContact CB-CG 4Å; P644-P898 CarbonylContact O-C 3.59Å; P644-P898 VanDerWaalsContact O-CA 3.23Å; P644-P898 WeakPolarHBondContact O-CA 3.5Å; V645-P898 HydrophobicContact CG2-CG 4.2Å
899	G	91.4	Very high	77.8	Confident	20 Å²	20	78.4 Å²	78.4	21%	0.206	41%	0.414	C	S	.	.			trans	-171.3	-169.1	-172.3	0	0	0	0	0	112.4	P644 F942	P644-G899 PolarHBondContact O-N 2.99Å; G899-F942 WeakPolarHBondContact CA-O 3.35Å
900	R	89.1	Confident	75	Confident	139 Å²	139	82.7 Å²	82.7	53%	0.525	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	147	178.4	63.6	-175.3	174.3	-177.9	-3.1	112	V902 F942	R900-V902 HydrophobicContact CG-CG2 4.31Å; R900-F942 HydrophobicContact CG-CB 4Å; R900-F942 HydrophobicContact CG-CD1 3.97Å; R900-F942 HydrophobicContact CG-CG 4.42Å; R900-F942 PolarHBondContact N-O 3.01Å; R900-F942 PolarHBondContact O-N 2.81Å
901	W	87.3	Confident	72.3	Confident	76 Å²	76	87.6 Å²	87.6	29%	0.288	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	137.2	166.1	-64.1	114.9	0	0	0	110.2	P646 G686 Y687 R939 V941	P646-W901 HydrophobicContact CB-CD2 4.05Å; P646-W901 HydrophobicContact CB-CE3 4.44Å; P646-W901 HydrophobicContact CB-CH2 4.12Å; P646-W901 HydrophobicContact CB-CZ2 3.69Å; P646-W901 HydrophobicContact CB-CZ3 4.48Å; G686-W901 PolarHBondContact O-NE1 2.79Å; Y687-W901 AromaticContact CE2-CD1 3.7Å; Y687-W901 AromaticContact CZ-CD1 3.5Å; Y687-W901 PolarHBondContact OH-N 3.17Å; Y687-W901 VanDerWaalsContact OH-N 3.08Å; W901-R939 HydrophobicContact CD2-CB 4.27Å; W901-R939 HydrophobicContact CE3-CB 3.47Å; W901-R939 VanDerWaalsContact CE3-CB 3.47Å; W901-R939 HydrophobicContact CZ3-CB 3.86Å; W901-V941 HydrophobicContact CE3-CG2 3.72Å; W901-V941 HydrophobicContact CH2-CG2 4.13Å; W901-V941 HydrophobicContact CZ3-CG2 3.44Å; W901-V941 VanDerWaalsContact CZ3-CG2 3.44Å
902	V	84.9	Confident	69.6	Low	56 Å²	56	96.9 Å²	96.9	34%	0.339	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128.5	171.2	172	0	0	0	0	108.2	R900 K940 F942	R900-V902 HydrophobicContact CG-CG2 4.31Å; V902-K940 PolarHBondContact N-O 3.1Å; V902-K940 PolarHBondContact O-N 3.47Å; V902-F942 HydrophobicContact CB-CB 4.49Å; V902-F942 HydrophobicContact CG2-CB 3.47Å; V902-F942 VanDerWaalsContact CG2-CB 3.47Å; V902-F942 HydrophobicContact CG2-CG 4.44Å
903	E	74.6	Confident	66.8	Low	146 Å²	146	100.8 Å²	100.8	68%	0.682	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-66.7	136	171.5	-56.4	-158.3	135.7	0	0	108.5	E905	E903-E905 PolarHBondContact O-N 2.96Å
904	P	56.3	Low	64.3	Low	60 Å²	60	100.7 Å²	100.7	39%	0.39	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-61.4	125.9	174.4	27.3	-33	0	0	0	108.3
905	E	47.3	Very low	61.6	Low	154 Å²	154	108.4 Å²	108.4	72%	0.72	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-56.7	148	170.7	-65.5	-150.6	172.6	0	0	109.6	E903 E907	E903-E905 PolarHBondContact O-N 2.96Å; E905-E907 HydrophobicContact CB-CG 4.43Å; E905-E907 PolarHBondContact O-N 2.97Å
906	P	45.8	Very low	59	Low	131 Å²	131	112 Å²	112	85%	0.851	58%	0.582	S	S	*	*			trans	-74.3	66.1	173	33.4	-35.3	0	0	0	109.5
907	E	45	Very low	56.3	Low	144 Å²	144	121.4 Å²	121.4	67%	0.673	63%	0.626	S	S	*	*			trans	-55.6	135.7	167.8	-68.6	170.6	147.4	0	0	108.3	E905 K940	E905-E907 HydrophobicContact CB-CG 4.43Å; E905-E907 PolarHBondContact O-N 2.97Å; E907-K940 IonicContact OE2-NZ 3.76Å
908	E	41.8	Very low	53.4	Low	189 Å²	189	129.9 Å²	129.9	88%	0.883	67%	0.666	S	S	*	*			trans	-62.7	143.5	-165.7	-59.6	-178.9	146.5	0	0	111.6	E910	E908-E910 PolarHBondContact O-N 3.01Å
909	E	37.8	Very low	50.6	Low	196 Å²	196	133.9 Å²	133.9	92%	0.916	70%	0.699	S	S	*	*			trans	-67.6	94.4	178.1	-66	-179.4	154.6	0	0	109.8	P911	E909-P911 WeakPolarHBondContact O-CD 3.42Å
910	E	36.7	Very low	47.9	Very low	181 Å²	181	140.7 Å²	140.7	85%	0.846	73%	0.731	S	S	*	*			trans	-57.5	123.3	161	-76.4	-156.1	151.8	0	0	107.8	E908 E912	E908-E910 PolarHBondContact O-N 3.01Å; E910-E912 PolarHBondContact O-N 3.08Å
911	P	38.3	Very low	45.6	Very low	116 Å²	116	143.2 Å²	143.2	75%	0.753	75%	0.748	S	S	*	*			trans	-73.5	103.5	-175.1	28.3	-33.4	0	0	0	109.6	E909 I913	E909-P911 WeakPolarHBondContact O-CD 3.42Å; P911-I913 PolarHBondContact O-N 3.05Å; P911-I913 VanDerWaalsContact O-N 3.08Å
912	E	37.6	Very low	43.2	Very low	194 Å²	194	147.8 Å²	147.8	91%	0.907	78%	0.779	S	S	*	*			trans	-52	118.4	167.4	-74.3	-170.3	159.2	0	0	108.9	E910 A914	E910-E912 PolarHBondContact O-N 3.08Å; E912-A914 PolarHBondContact O-N 2.89Å
913	I	34.8	Very low	40.9	Very low	149 Å²	149	148.5 Å²	148.5	76%	0.764	80%	0.797	S	S	*	*			trans	-71.3	99.2	178.3	-61.1	176.1	0	0	0	107.1	P911 E915	P911-I913 PolarHBondContact O-N 3.05Å; P911-I913 VanDerWaalsContact O-N 3.08Å; I913-E915 VanDerWaalsContact C-N 3.31Å; I913-E915 HydrophobicContact CG2-CG 4.32Å; I913-E915 PolarHBondContact O-N 2.6Å
914	A	37.3	Very low	38.9	Very low	94 Å²	94	147.6 Å²	147.6	78%	0.777	81%	0.807	S	S	*	*			trans	-68.4	88.5	172.4	0	0	0	0	0	109.7	E912 S916	E912-A914 PolarHBondContact O-N 2.89Å; A914-S916 PolarHBondContact O-N 2.6Å
915	E	35.3	Very low	38	Very low	184 Å²	184	151.5 Å²	151.5	86%	0.86	83%	0.83	S	S	*	*			trans	-64.8	117.8	165.6	-67.9	-161.5	143.7	0	0	109	I913	I913-E915 VanDerWaalsContact C-N 3.31Å; I913-E915 HydrophobicContact CG2-CG 4.32Å; I913-E915 PolarHBondContact O-N 2.6Å
916	S	35.1	Very low	37.1	Very low	110 Å²	110	150.2 Å²	150.2	77%	0.769	84%	0.837	S	S	*	*			trans	-88.4	110.5	-177.1	56.4	0	0	0	0	110.8	A914	A914-S916 PolarHBondContact O-N 2.6Å
917	E	37.8	Very low	36.7	Very low	197 Å²	197	149.4 Å²	149.4	92%	0.921	83%	0.834	S	S	*	*			trans	-103.6	127.9	156	-64.5	-160.7	139.4	0	0	109
918	E	33.8	Very low	36.1	Very low	185 Å²	185	150.1 Å²	150.1	86%	0.864	84%	0.842	S	S	*	*			trans	-98.1	168.4	178.5	-70.2	-165.4	159.3	0	0	111.8
919	A	35	Very low	36	Very low	91 Å²	91	145.7 Å²	145.7	75%	0.752	84%	0.838	S	S	*	*			trans	74	149.6	172.5	0	0	0	0	0	115.9
920	D	34.9	Very low	35.8	Very low	162 Å²	162	141.4 Å²	141.4	87%	0.866	83%	0.83	S	S	*	*			cis	-117.8	157.3	6.6	-88	-59.2	0	0	0	113.5
921	E	39.9	Very low	35.8	Very low	192 Å²	192	141.8 Å²	141.8	90%	0.897	83%	0.831	S	S	*	*			trans	-81.4	131.1	164.4	-64.6	-173.5	121.9	0	0	110.7
922	D	36.7	Very low	35.5	Very low	173 Å²	173	145.6 Å²	145.6	93%	0.925	84%	0.836	S	S	*	*			trans	-151.9	141.5	140	-138.7	-21.4	0	0	0	111.3
923	G	36.3	Very low	35.4	Very low	70 Å²	70	140.8 Å²	140.8	72%	0.722	83%	0.83	S	S	*	*			trans	-109.2	140.8	-155.2	0	0	0	0	0	116.3
924	S	33	Very low	35.1	Very low	127 Å²	127	137.5 Å²	137.5	89%	0.888	83%	0.825	S	S	*	*			trans	-152.8	131.4	154.3	-164.1	0	0	0	0	112.6
925	T	37.1	Very low	35	Very low	142 Å²	142	138.9 Å²	138.9	87%	0.871	83%	0.826	S	S	*	*			trans	-84.6	123.9	-177.3	9.9	0	0	0	0	112.4
926	C	29.9	Very low	35.1	Very low	128 Å²	128	139.7 Å²	139.7	87%	0.865	83%	0.826	S	S	*	*			trans	-147.2	140.1	142.2	-145.1	0	0	0	0	111
927	S	37.4	Very low	35.5	Very low	113 Å²	113	143.2 Å²	143.2	79%	0.79	83%	0.828	S	S	*	*			trans	-94.2	124.3	179.1	55.1	0	0	0	0	110.5
928	D	32.3	Very low	36.3	Very low	160 Å²	160	145.1 Å²	145.1	86%	0.856	83%	0.827	S	S	*	*			trans	-143.5	138.1	153.4	-143.8	-20.6	0	0	0	111.5	S930	D928-S930 PolarHBondContact O-N 2.81Å
929	A	39.9	Very low	37.9	Very low	96 Å²	96	143.1 Å²	143.1	79%	0.793	81%	0.811	S	S	*	*			trans	-87.6	54.6	-166	0	0	0	0	0	112.1	Q931	A929-Q931 PolarHBondContact O-N 3.1Å
930	S	33.6	Very low	40	Very low	105 Å²	105	144 Å²	144	73%	0.734	80%	0.798	S	S	*	*			trans	-70.4	96.4	177	-170.3	0	0	0	0	110.7	D928 K932	D928-S930 PolarHBondContact O-N 2.81Å; S930-K932 VanDerWaalsContact C-N 3.29Å; S930-K932 PolarHBondContact O-N 2.95Å
931	Q	36.6	Very low	42.4	Very low	189 Å²	189	139.7 Å²	139.7	88%	0.883	78%	0.778	S	S	*	*			trans	-64.3	92.2	164.2	-71.9	-173.8	-11.7	0	0	108.6	A929 A933	A929-Q931 PolarHBondContact O-N 3.1Å; Q931-A933 VanDerWaalsContact C-N 3.34Å; Q931-A933 PolarHBondContact O-N 2.9Å
932	K	32.3	Very low	44.7	Very low	196 Å²	196	133.7 Å²	133.7	85%	0.852	75%	0.749	S	S	*	*			trans	-55.9	101.2	162.2	-91.2	-174	173.5	179.5	0	107.6	S930 A934	S930-K932 VanDerWaalsContact C-N 3.29Å; S930-K932 PolarHBondContact O-N 2.95Å; K932-A934 PolarHBondContact O-N 3.2Å; K932-A934 VanDerWaalsContact O-N 3.1Å
933	A	33.5	Very low	47.3	Very low	94 Å²	94	125.9 Å²	125.9	78%	0.777	71%	0.708	S	S	*	*			trans	-58.1	117.6	170.7	0	0	0	0	0	107.8	Q931	Q931-A933 VanDerWaalsContact C-N 3.34Å; Q931-A933 PolarHBondContact O-N 2.9Å
934	A	30.5	Very low	50	Low	80 Å²	80	125.7 Å²	125.7	66%	0.661	69%	0.688	S	S	*	*			trans	-55.1	140.8	175.5	0	0	0	0	0	109.2	K932 K936	K932-A934 PolarHBondContact O-N 3.2Å; K932-A934 VanDerWaalsContact O-N 3.1Å; A934-K936 PolarHBondContact O-N 2.93Å
935	P	35	Very low	53	Low	123 Å²	123	119.7 Å²	119.7	80%	0.799	65%	0.646	S	S	*	*			trans	-58.4	114.5	178.9	24.4	-33.1	0	0	0	108.5	K937	P935-K937 PolarHBondContact O-N 2.97Å
936	K	37.3	Very low	55.8	Low	200 Å²	200	114.3 Å²	114.3	87%	0.87	61%	0.613	S	S	*	*			trans	-57	111.3	176.4	-69.2	-178.8	178.6	179.4	0	107.4	A934 R938	A934-K936 PolarHBondContact O-N 2.93Å; K936-R938 PolarHBondContact O-N 3.09Å
937	K	43.6	Very low	59	Low	185 Å²	185	111.5 Å²	111.5	80%	0.804	59%	0.587	S	S	*	*			trans	-49.6	115.3	175.1	-71.3	-171.3	176.4	-173.5	0	107.4	P935 R939	P935-K937 PolarHBondContact O-N 2.97Å; K937-R939 PolarHBondContact O-N 3.01Å
938	R	53.9	Low	61.9	Low	237 Å²	237	107 Å²	107	89%	0.894	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-56.3	125.4	177.6	-83.4	-177.2	167.3	-175.6	-5.2	107.4	K936 K940	K936-R938 PolarHBondContact O-N 3.09Å; R938-K940 PolarHBondContact O-N 3.14Å
939	R	67	Low	65	Low	143 Å²	143	99.9 Å²	99.9	54%	0.54	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-57.8	133.4	171.8	-76.7	178.5	162.3	174.9	-8	108	W901 K937	W901-R939 HydrophobicContact CD2-CB 4.27Å; W901-R939 HydrophobicContact CE3-CB 3.47Å; W901-R939 VanDerWaalsContact CE3-CB 3.47Å; W901-R939 HydrophobicContact CZ3-CB 3.86Å; K937-R939 PolarHBondContact O-N 3.01Å
940	K	79.3	Confident	67.8	Low	108 Å²	108	100.9 Å²	100.9	47%	0.47	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	140.6	174.2	-67.7	179.6	179.8	174.5	0	107.4	V902 E907 R938	V902-K940 PolarHBondContact N-O 3.1Å; V902-K940 PolarHBondContact O-N 3.47Å; E907-K940 IonicContact OE2-NZ 3.76Å; R938-K940 PolarHBondContact O-N 3.14Å
941	V	84.9	Confident	70.9	Confident	73 Å²	73	100.7 Å²	100.7	44%	0.442	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.7	167.9	173.5	0	0	0	0	107.9	P646 W901	P646-V941 HydrophobicContact CB-CG2 4.03Å; P646-V941 HydrophobicContact CG-CG1 3.95Å; P646-V941 HydrophobicContact CG-CG2 4.34Å; W901-V941 HydrophobicContact CE3-CG2 3.72Å; W901-V941 HydrophobicContact CH2-CG2 4.13Å; W901-V941 HydrophobicContact CZ3-CG2 3.44Å; W901-V941 VanDerWaalsContact CZ3-CG2 3.44Å
942	F	89.5	Confident	73.8	Confident	66 Å²	66	91.9 Å²	91.9	29%	0.289	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.8	164	173.3	-85	0	0	0	109	G899 R900 V902 Q944	G899-F942 WeakPolarHBondContact CA-O 3.35Å; R900-F942 HydrophobicContact CG-CB 4Å; R900-F942 HydrophobicContact CG-CD1 3.97Å; R900-F942 HydrophobicContact CG-CG 4.42Å; R900-F942 PolarHBondContact N-O 3.01Å; R900-F942 PolarHBondContact O-N 2.81Å; V902-F942 HydrophobicContact CB-CB 4.49Å; V902-F942 HydrophobicContact CG2-CB 3.47Å; V902-F942 VanDerWaalsContact CG2-CB 3.47Å; V902-F942 HydrophobicContact CG2-CG 4.44Å; F942-Q944 HydrophobicContact CE1-CB 4.35Å
943	C	91.3	Very high	76.9	Confident	9 Å²	9	84.9 Å²	84.9	6%	0.061	42%	0.423	C	S	.	.			trans	-122.9	128	174.6	167.4	0	0	0	0	109	I897 I945 T946 Q947	I897-C943 HydrophobicContact CG2-CB 4.48Å; I897-C943 WeakPolarHBondContact CG2-SG 3.36Å; C943-I945 PolarHBondContact SG-N 2.67Å; C943-I945 VanDerWaalsContact SG-N 3.36Å; C943-T946 WeakPolarHBondContact CB-OG1 3.44Å; C943-T946 PolarHBondContact O-OG1 3.01Å; C943-T946 PolarHBondContact SG-N 2.81Å; C943-T946 VanDerWaalsContact SG-N 3.39Å; C943-T946 PolarHBondContact SG-OG1 3.32Å; C943-Q947 PolarHBondContact O-N 3.47Å
944	Q	93.3	Very high	80	Confident	66 Å²	66	88.2 Å²	88.2	31%	0.308	42%	0.42	S	S	.	.	H	α-helix	trans	-72.9	-32	178.7	-174.6	176.1	55	0	0	111.9	N566 F942 Q947 H948	N566-Q944 VanDerWaalsContact ND2-CD 3.34Å; N566-Q944 PolarHBondContact ND2-NE2 3.16Å; N566-Q944 PolarHBondContact ND2-OE1 3.29Å; F942-Q944 HydrophobicContact CE1-CB 4.35Å; Q944-Q947 PolarHBondContact O-N 2.88Å; Q944-H948 PolarHBondContact O-CD2 2.95Å; Q944-H948 PolarHBondContact O-N 2.9Å
945	I	96	Very high	83.2	Confident	1 Å²	1	86 Å²	86	1%	0.005	40%	0.397	C	S	.	.	H	α-helix	trans	-67	-44.6	-176.5	-52.1	-168.4	0	0	0	110.2	W565 Y639 L640 L830 I897 C943 L949	W565-I945 HydrophobicContact CD2-CD1 3.83Å; W565-I945 HydrophobicContact CD2-CG1 4.02Å; W565-I945 HydrophobicContact CE3-CD1 3.97Å; W565-I945 HydrophobicContact CG-CD1 4.43Å; W565-I945 HydrophobicContact CG-CG1 4.18Å; W565-I945 HydrophobicContact CH2-CD1 4.06Å; W565-I945 HydrophobicContact CZ2-CD1 3.93Å; W565-I945 HydrophobicContact CZ2-CG1 4.28Å; W565-I945 HydrophobicContact CZ2-CG2 3.99Å; W565-I945 HydrophobicContact CZ3-CD1 4.08Å; Y639-I945 HydrophobicContact CE1-CD1 4.48Å; L640-I945 HydrophobicContact CD2-CD1 3.8Å; L830-I945 HydrophobicContact CB-CG2 3.74Å; L830-I945 HydrophobicContact CD1-CG2 3.92Å; L830-I945 HydrophobicContact CD2-CG2 4.27Å; L830-I945 HydrophobicContact CG-CG2 4.2Å; I897-I945 HydrophobicContact CG2-CB 4.31Å; I897-I945 HydrophobicContact CG2-CD1 4.06Å; I897-I945 HydrophobicContact CG2-CG1 4.38Å; C943-I945 PolarHBondContact SG-N 2.67Å; C943-I945 VanDerWaalsContact SG-N 3.36Å; I945-L949 PolarHBondContact O-N 3.29Å
946	T	95.5	Very high	86.2	Confident	28 Å²	28	80.9 Å²	80.9	17%	0.172	36%	0.362	C	S	.	.	H	α-helix	trans	-75.2	-29.5	176.4	56.4	0	0	0	0	112.9	I897 C943 L950	I897-T946 HydrophobicContact CD1-CG2 4.25Å; C943-T946 WeakPolarHBondContact CB-OG1 3.44Å; C943-T946 PolarHBondContact O-OG1 3.01Å; C943-T946 PolarHBondContact SG-N 2.81Å; C943-T946 VanDerWaalsContact SG-N 3.39Å; C943-T946 PolarHBondContact SG-OG1 3.32Å; T946-L950 WeakPolarHBondContact O-CG 3.34Å; T946-L950 PolarHBondContact O-N 2.84Å; T946-L950 VanDerWaalsContact O-N 3.16Å
947	Q	96.5	Very high	89	Confident	70 Å²	70	75.1 Å²	75.1	33%	0.327	34%	0.336	S	S	.	.	H	α-helix	trans	-61	-51.3	170.5	-179.5	-179.3	-6.1	0	0	111.4	C943 Q944 L949 L950 E951	C943-Q947 PolarHBondContact O-N 3.47Å; Q944-Q947 PolarHBondContact O-N 2.88Å; Q947-L949 VanDerWaalsContact C-N 3.31Å; Q947-L949 PolarHBondContact O-N 3.3Å; Q947-L950 PolarHBondContact O-N 2.96Å; Q947-L950 VanDerWaalsContact O-N 3.16Å; Q947-E951 HydrophobicContact CG-CG 4.46Å; Q947-E951 WeakPolarHBondContact CG-OE1 3.49Å; Q947-E951 PolarHBondContact NE2-OE1 3.2Å; Q947-E951 PolarHBondContact O-N 3.34Å
948	H	98.3	Very high	91.5	Very high	19 Å²	19	71.5 Å²	71.5	9%	0.088	32%	0.321	C	S	.	.	H	α-helix	trans	-60.1	-41	179.8	-74.3	-36.2	0	0	0	112.3	N566 L830 C832 Q944 L950 E951 N952	N566-H948 PolarHBondContact OD1-CD2 3.39Å; N566-H948 PolarHBondContact OD1-NE2 3.13Å; L830-H948 VanDerWaalsContact O-CB 3.23Å; L830-H948 WeakPolarHBondContact O-CB 3.44Å; L830-H948 PolarHBondContact O-CD2 2.95Å; C832-H948 PolarHBondContact N-CD2 3.16Å; Q944-H948 PolarHBondContact O-CD2 2.95Å; Q944-H948 PolarHBondContact O-N 2.9Å; H948-L950 PolarHBondContact O-N 2.99Å; H948-E951 PolarHBondContact O-N 3.43Å; H948-N952 WeakPolarHBondContact O-CB 3.06Å; H948-N952 PolarHBondContact O-N 3.3Å; H948-N952 PolarHBondContact O-ND2 3.28Å; H948-N952 VanDerWaalsContact O-ND2 3.15Å
949	L	98.3	Very high	93.5	Very high	9 Å²	9	62.2 Å²	62.2	5%	0.047	29%	0.29	C	S	.	.	H	α-helix	trans	-54.3	-49.4	173.2	177.8	59.1	0	0	0	111.9	P829 L830 I880 V884 C888 I945 Q947 H953	P829-L949 WeakPolarHBondContact O-CA 3.42Å; L830-L949 HydrophobicContact CD2-CB 3.82Å; L830-L949 HydrophobicContact CD2-CD1 3.94Å; L830-L949 HydrophobicContact CD2-CD2 4Å; L830-L949 HydrophobicContact CD2-CG 4.13Å; I880-L949 HydrophobicContact CG2-CD1 3.75Å; V884-L949 HydrophobicContact CG1-CD1 4.08Å; C888-L949 HydrophobicContact CB-CD2 3.74Å; I945-L949 PolarHBondContact O-N 3.29Å; Q947-L949 VanDerWaalsContact C-N 3.31Å; Q947-L949 PolarHBondContact O-N 3.3Å; L949-H953 WeakPolarHBondContact O-CB 3.27Å; L949-H953 PolarHBondContact O-N 2.94Å
950	L	97.5	Very high	94.8	Very high	118 Å²	118	58.1 Å²	58.1	62%	0.618	28%	0.278	S	S	*	.	H	α-helix	trans	-65.9	-39.9	179.3	-69	169.1	0	0	0	112.5	T946 Q947 H948 K954	T946-L950 WeakPolarHBondContact O-CG 3.34Å; T946-L950 PolarHBondContact O-N 2.84Å; T946-L950 VanDerWaalsContact O-N 3.16Å; Q947-L950 PolarHBondContact O-N 2.96Å; Q947-L950 VanDerWaalsContact O-N 3.16Å; H948-L950 PolarHBondContact O-N 2.99Å; L950-K954 VanDerWaalsContact O-CB 3.25Å; L950-K954 WeakPolarHBondContact O-CB 3.47Å; L950-K954 PolarHBondContact O-N 2.86Å
951	E	98.1	Very high	95.5	Very high	101 Å²	101	58 Å²	58	47%	0.472	28%	0.28	S	S	.	.	H	α-helix	trans	-68.2	-46.2	178.5	-72.5	-176.5	-164.2	0	0	112.3	Q947 H948 K954 M955	Q947-E951 HydrophobicContact CG-CG 4.46Å; Q947-E951 WeakPolarHBondContact CG-OE1 3.49Å; Q947-E951 PolarHBondContact NE2-OE1 3.2Å; Q947-E951 PolarHBondContact O-N 3.34Å; H948-E951 PolarHBondContact O-N 3.43Å; E951-K954 PolarHBondContact O-N 3.49Å; E951-M955 PolarHBondContact O-N 3.26Å
952	N	98.5	Very high	95.8	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-64.9	-40.3	176.2	-72.2	-39.3	0	0	0	111.3	P829 K831 K833 H948 M955 W956	P829-N952 PolarHBondContact O-ND2 3.47Å; K831-N952 PolarHBondContact O-ND2 2.87Å; K833-N952 WeakPolarHBondContact CA-OD1 3.42Å; H948-N952 WeakPolarHBondContact O-CB 3.06Å; H948-N952 PolarHBondContact O-N 3.3Å; H948-N952 PolarHBondContact O-ND2 3.28Å; H948-N952 VanDerWaalsContact O-ND2 3.15Å; N952-M955 WeakPolarHBondContact O-CB 3.38Å; N952-M955 PolarHBondContact O-N 3.01Å; N952-W956 PolarHBondContact O-N 3.12Å; N952-W956 VanDerWaalsContact O-N 3.17Å
953	H	98.2	Very high	95.9	Very high	49 Å²	49	59.4 Å²	59.4	23%	0.227	28%	0.284	C	S	.	.	H	α-helix	trans	-61.5	-47.6	175.3	-166.5	-179.9	0	0	0	112.1	E877 I880 T881 L949 M955 W956 K957	E877-H953 WeakPolarHBondContact CG-NE2 3.38Å; E877-H953 PolarHBondContact O-NE2 3.05Å; E877-H953 IonicContact OE1-NE2 2.68Å; E877-H953 PolarHBondContact OE1-NE2 2.96Å; I880-H953 HydrophobicContact CG2-CB 3.85Å; T881-H953 WeakPolarHBondContact CB-NE2 3.44Å; T881-H953 PolarHBondContact OG1-CE1 3.41Å; T881-H953 PolarHBondContact OG1-NE2 3.23Å; L949-H953 WeakPolarHBondContact O-CB 3.27Å; L949-H953 PolarHBondContact O-N 2.94Å; H953-M955 VanDerWaalsContact C-N 3.29Å; H953-M955 PolarHBondContact O-N 3.29Å; H953-W956 PolarHBondContact O-N 3.14Å; H953-K957 PolarHBondContact NE2-NZ 3.32Å; H953-K957 PolarHBondContact O-N 3.37Å
954	K	98.1	Very high	95.6	Very high	164 Å²	164	61.4 Å²	61.4	71%	0.713	30%	0.299	S	S	*	.	H	α-helix	trans	-62.7	-36.1	177.8	-175.5	174.9	-178.7	176.1	0	112	L950 E951 K958	L950-K954 VanDerWaalsContact O-CB 3.25Å; L950-K954 WeakPolarHBondContact O-CB 3.47Å; L950-K954 PolarHBondContact O-N 2.86Å; E951-K954 PolarHBondContact O-N 3.49Å; K954-K958 WeakPolarHBondContact O-CB 3.25Å; K954-K958 PolarHBondContact O-N 3.16Å
955	M	97.9	Very high	95.2	Very high	35 Å²	35	62.8 Å²	62.8	17%	0.172	31%	0.305	C	S	.	.	H	α-helix	trans	-59.5	-51.8	173.2	179.1	-178.5	68.5	0	0	111.4	K833 L837 E951 N952 H953 K958 V959	K833-M955 HydrophobicContact CD-SD 3.69Å; K833-M955 WeakPolarHBondContact CE-SD 3.3Å; K833-M955 HydrophobicContact CG-SD 4.07Å; K833-M955 PolarHBondContact NZ-SD 3.46Å; K833-M955 VanDerWaalsContact NZ-SD 3.44Å; L837-M955 HydrophobicContact CD2-CE 3.95Å; L837-M955 HydrophobicContact CG-CE 4.37Å; E951-M955 PolarHBondContact O-N 3.26Å; N952-M955 WeakPolarHBondContact O-CB 3.38Å; N952-M955 PolarHBondContact O-N 3.01Å; H953-M955 VanDerWaalsContact C-N 3.29Å; H953-M955 PolarHBondContact O-N 3.29Å; M955-K958 PolarHBondContact O-N 3.31Å; M955-V959 WeakPolarHBondContact O-CG2 3.42Å; M955-V959 PolarHBondContact O-N 3.42Å
956	W	97.6	Very high	94.4	Very high	15 Å²	15	68 Å²	68	6%	0.057	33%	0.333	C	S	.	.	H	α-helix	trans	-68	-38.1	-178.1	-65.3	116.9	0	0	0	113.4	H836 L837 T840 L872 A873 Q876 E877 N952 H953 K958 V959 I960	H836-W956 AromaticContact CD2-NE1 3.79Å; H836-W956 AromaticContact CE1-NE1 3.96Å; H836-W956 AromaticContact NE2-CE2 3.58Å; H836-W956 AromaticContact NE2-CZ2 3.61Å; H836-W956 AromaticContact NE2-NE1 2.99Å; H836-W956 PolarHBondContact NE2-NE1 2.72Å; L837-W956 HydrophobicContact CD2-CH2 3.84Å; L837-W956 HydrophobicContact CD2-CZ2 3.71Å; T840-W956 HydrophobicContact CG2-CH2 4.27Å; T840-W956 HydrophobicContact CG2-CZ2 4.09Å; L872-W956 HydrophobicContact CD1-CH2 4.17Å; L872-W956 HydrophobicContact CD2-CH2 4.1Å; L872-W956 HydrophobicContact CD2-CZ3 4.29Å; L872-W956 HydrophobicContact CG-CH2 4Å; L872-W956 HydrophobicContact CG-CZ3 4.01Å; A873-W956 HydrophobicContact CB-CE3 3.85Å; A873-W956 HydrophobicContact CB-CZ3 4.35Å; Q876-W956 HydrophobicContact CB-CD2 3.7Å; Q876-W956 HydrophobicContact CB-CE3 4.42Å; Q876-W956 HydrophobicContact CB-CG 3.77Å; Q876-W956 HydrophobicContact CB-CZ2 4.09Å; Q876-W956 HydrophobicContact CG-CD2 4.31Å; Q876-W956 HydrophobicContact CG-CH2 4.35Å; Q876-W956 HydrophobicContact CG-CZ2 3.82Å; E877-W956 HydrophobicContact CB-CB 4.21Å; N952-W956 PolarHBondContact O-N 3.12Å; N952-W956 VanDerWaalsContact O-N 3.17Å; H953-W956 PolarHBondContact O-N 3.14Å; W956-K958 VanDerWaalsContact C-N 3.33Å; W956-K958 PolarHBondContact O-N 3.35Å; W956-V959 HydrophobicContact CE3-CG2 4.48Å; W956-V959 PolarHBondContact O-N 2.99Å; W956-V959 VanDerWaalsContact O-N 3.14Å; W956-I960 WeakPolarHBondContact O-CG1 3.48Å; W956-I960 PolarHBondContact O-N 3.06Å
957	K	96.1	Very high	93.5	Very high	78 Å²	78	73.7 Å²	73.7	34%	0.339	36%	0.357	S	S	.	.	H	α-helix	trans	-58.4	-45.2	172.3	-80.1	-166.1	154.5	91.9	0	111.9	E877 H953 V959 I960 E961	E877-K957 HydrophobicContact CG-CG 3.7Å; E877-K957 WeakPolarHBondContact OE1-CE 3.3Å; E877-K957 IonicContact OE1-NZ 3.18Å; E877-K957 PolarHBondContact OE1-NZ 3.2Å; H953-K957 PolarHBondContact NE2-NZ 3.32Å; H953-K957 PolarHBondContact O-N 3.37Å; K957-V959 VanDerWaalsContact C-N 3.32Å; K957-V959 PolarHBondContact O-N 3.12Å; K957-I960 PolarHBondContact O-N 3.29Å; K957-E961 WeakPolarHBondContact O-CG 3.27Å; K957-E961 PolarHBondContact O-N 3.37Å
958	K	96.6	Very high	92.4	Very high	109 Å²	109	76.3 Å²	76.3	47%	0.474	37%	0.37	S	S	.	.	H	α-helix	trans	-61.4	-38	174.4	-174.4	176.9	-169.4	-60.5	0	112.6	K954 M955 W956 I960 E961 D962	K954-K958 WeakPolarHBondContact O-CB 3.25Å; K954-K958 PolarHBondContact O-N 3.16Å; M955-K958 PolarHBondContact O-N 3.31Å; W956-K958 VanDerWaalsContact C-N 3.33Å; W956-K958 PolarHBondContact O-N 3.35Å; K958-I960 VanDerWaalsContact C-N 3.34Å; K958-I960 PolarHBondContact O-N 2.04Å; K958-E961 PolarHBondContact O-N 3.47Å; K958-D962 IonicContact NZ-OD1 2.75Å; K958-D962 PolarHBondContact NZ-OD1 3.46Å; K958-D962 IonicContact NZ-OD2 2.75Å; K958-D962 PolarHBondContact NZ-OD2 3.37Å; K958-D962 WeakPolarHBondContact O-CB 3.4Å; K958-D962 VanDerWaalsContact O-CG 3.25Å; K958-D962 PolarHBondContact O-N 2.89Å
959	V	95.4	Very high	90.7	Very high	43 Å²	43	81 Å²	81	26%	0.261	39%	0.392	S	S	.	.	H	α-helix	trans	-63.4	-40.8	176.2	175.3	0	0	0	0	111.1	A873 M955 W956 K957 D962 E963	A873-V959 HydrophobicContact CB-CB 3.99Å; A873-V959 HydrophobicContact CB-CG1 3.56Å; M955-V959 WeakPolarHBondContact O-CG2 3.42Å; M955-V959 PolarHBondContact O-N 3.42Å; W956-V959 HydrophobicContact CE3-CG2 4.48Å; W956-V959 PolarHBondContact O-N 2.99Å; W956-V959 VanDerWaalsContact O-N 3.14Å; K957-V959 VanDerWaalsContact C-N 3.32Å; K957-V959 PolarHBondContact O-N 3.12Å; V959-D962 PolarHBondContact O-N 3.18Å; V959-E963 HydrophobicContact CG1-CG 4.28Å; V959-E963 VanDerWaalsContact O-CB 3.32Å; V959-E963 WeakPolarHBondContact O-CB 3.35Å; V959-E963 VanDerWaalsContact O-CG 3.25Å; V959-E963 WeakPolarHBondContact O-CG 3.36Å; V959-E963 PolarHBondContact O-N 3.32Å
960	I	94	Very high	88.9	Confident	56 Å²	56	82.2 Å²	82.2	29%	0.287	41%	0.406	S	S	.	.	H	α-helix	trans	-64.2	-42.3	175.5	-63.6	166.1	0	0	0	111.2	A873 E877 W956 K957 K958 E963 S964	A873-I960 HydrophobicContact CB-CG1 3.78Å; E877-I960 HydrophobicContact CB-CD1 3.65Å; E877-I960 HydrophobicContact CG-CD1 3.91Å; W956-I960 WeakPolarHBondContact O-CG1 3.48Å; W956-I960 PolarHBondContact O-N 3.06Å; K957-I960 PolarHBondContact O-N 3.29Å; K958-I960 VanDerWaalsContact C-N 3.34Å; K958-I960 PolarHBondContact O-N 2.04Å; I960-E963 PolarHBondContact O-N 2.97Å; I960-S964 PolarHBondContact O-N 2.88Å; I960-S964 PolarHBondContact O-OG 3.32Å
961	E	93.8	Very high	86.9	Confident	107 Å²	107	81.1 Å²	81.1	50%	0.5	40%	0.404	S	S	.	.	H	α-helix	trans	-64.3	-41.4	176	-69.2	163.4	-167.9	0	0	112.5	K957 K958 S964 Q965	K957-E961 WeakPolarHBondContact O-CG 3.27Å; K957-E961 PolarHBondContact O-N 3.37Å; K958-E961 PolarHBondContact O-N 3.47Å; E961-S964 PolarHBondContact O-OG 3.21Å; E961-Q965 VanDerWaalsContact O-CG 3.3Å; E961-Q965 WeakPolarHBondContact O-CG 3.41Å; E961-Q965 PolarHBondContact O-N 3.05Å; E961-Q965 PolarHBondContact O-NE2 2.95Å; E961-Q965 VanDerWaalsContact O-NE2 3.14Å
962	D	92	Very high	84.7	Confident	65 Å²	65	83.1 Å²	83.1	35%	0.348	41%	0.414	S	S	.	.	H	α-helix	trans	-67.7	-38.8	175.2	-70.5	-28.4	0	0	0	110.4	K958 V959 N966	K958-D962 IonicContact NZ-OD1 2.75Å; K958-D962 PolarHBondContact NZ-OD1 3.46Å; K958-D962 IonicContact NZ-OD2 2.75Å; K958-D962 PolarHBondContact NZ-OD2 3.37Å; K958-D962 WeakPolarHBondContact O-CB 3.4Å; K958-D962 VanDerWaalsContact O-CG 3.25Å; K958-D962 PolarHBondContact O-N 2.89Å; V959-D962 PolarHBondContact O-N 3.18Å; D962-N966 PolarHBondContact O-N 3.14Å; D962-N966 PolarHBondContact O-ND2 2.88Å
963	E	90.2	Very high	82.4	Confident	103 Å²	103	86 Å²	86	48%	0.481	43%	0.434	S	S	.	.	H	α-helix	trans	-64.4	-50.8	177	-79	171.6	171.7	0	0	111.5	V959 I960 Q965 N966 E967	V959-E963 HydrophobicContact CG1-CG 4.28Å; V959-E963 VanDerWaalsContact O-CB 3.32Å; V959-E963 WeakPolarHBondContact O-CB 3.35Å; V959-E963 VanDerWaalsContact O-CG 3.25Å; V959-E963 WeakPolarHBondContact O-CG 3.36Å; V959-E963 PolarHBondContact O-N 3.32Å; I960-E963 PolarHBondContact O-N 2.97Å; E963-Q965 PolarHBondContact O-N 3.25Å; E963-N966 PolarHBondContact O-N 3.27Å; E963-N966 VanDerWaalsContact O-N 3.08Å; E963-E967 PolarHBondContact O-N 3.05Å
964	S	86.8	Confident	80.1	Confident	51 Å²	51	86.7 Å²	86.7	36%	0.357	45%	0.448	S	S	.	.	H	α-helix	trans	-62.8	-39.6	-178	66	0	0	0	0	112.9	I960 E961 N966 E967 E968	I960-S964 PolarHBondContact O-N 2.88Å; I960-S964 PolarHBondContact O-OG 3.32Å; E961-S964 PolarHBondContact O-OG 3.21Å; S964-N966 VanDerWaalsContact C-N 3.25Å; S964-N966 PolarHBondContact O-N 2.76Å; S964-E967 PolarHBondContact O-N 3.33Å; S964-E967 VanDerWaalsContact O-N 3.13Å; S964-E968 PolarHBondContact O-N 3.09Å
965	Q	84.9	Confident	77.9	Confident	95 Å²	95	86.2 Å²	86.2	44%	0.444	45%	0.448	S	S	.	.	H	α-helix	trans	-62.9	-30.7	175.9	-73.7	172.4	51.6	0	0	112.9	E961 E963 Q969	E961-Q965 VanDerWaalsContact O-CG 3.3Å; E961-Q965 WeakPolarHBondContact O-CG 3.41Å; E961-Q965 PolarHBondContact O-N 3.05Å; E961-Q965 PolarHBondContact O-NE2 2.95Å; E961-Q965 VanDerWaalsContact O-NE2 3.14Å; E963-Q965 PolarHBondContact O-N 3.25Å; Q965-Q969 WeakPolarHBondContact O-CB 3.46Å; Q965-Q969 VanDerWaalsContact O-CG 3.3Å; Q965-Q969 WeakPolarHBondContact O-CG 3.46Å; Q965-Q969 PolarHBondContact O-N 3.43Å; Q965-Q969 VanDerWaalsContact O-N 3.08Å
966	N	78.8	Confident	75.4	Confident	110 Å²	110	91.6 Å²	91.6	59%	0.588	48%	0.477	S	S	*	.	H	α-helix	trans	-75	-30	175.1	-81.1	-83.5	0	0	0	112.4	D962 E963 S964 G970	D962-N966 PolarHBondContact O-N 3.14Å; D962-N966 PolarHBondContact O-ND2 2.88Å; E963-N966 PolarHBondContact O-N 3.27Å; E963-N966 VanDerWaalsContact O-N 3.08Å; S964-N966 VanDerWaalsContact C-N 3.25Å; S964-N966 PolarHBondContact O-N 2.76Å; N966-G970 WeakPolarHBondContact O-CA 3.27Å; N966-G970 PolarHBondContact O-N 3.06Å
967	E	76.5	Confident	72.9	Confident	148 Å²	148	97.6 Å²	97.6	69%	0.692	51%	0.51	S	S	*	.	H	α-helix	trans	-71.5	-40.6	173.6	-64.4	-167.5	152.7	0	0	112.1	E963 S964 G970 T971	E963-E967 PolarHBondContact O-N 3.05Å; S964-E967 PolarHBondContact O-N 3.33Å; S964-E967 VanDerWaalsContact O-N 3.13Å; E967-G970 PolarHBondContact O-N 3.12Å; E967-T971 PolarHBondContact O-N 2.99Å; E967-T971 PolarHBondContact O-OG1 3.45Å
968	E	72.9	Confident	70.4	Confident	125 Å²	125	102.6 Å²	102.6	58%	0.584	53%	0.532	S	S	*	.	H	α-helix	trans	-63.4	-52.2	174.4	-69.7	178.1	164.6	0	0	111.4	S964 G970 T971 E972	S964-E968 PolarHBondContact O-N 3.09Å; E968-G970 VanDerWaalsContact C-N 3.25Å; E968-G970 PolarHBondContact O-N 3.45Å; E968-T971 PolarHBondContact O-N 3.45Å; E968-T971 VanDerWaalsContact O-N 3.15Å; E968-T971 PolarHBondContact O-OG1 3.17Å; E968-E972 PolarHBondContact O-N 3.3Å
969	Q	63.3	Low	67.7	Low	118 Å²	118	103.3 Å²	103.3	55%	0.551	55%	0.545	S	S	*	.	H	α-helix	trans	-63.3	-32.6	175.5	-69.5	175.4	26.8	0	0	112.5	Q965 S973	Q965-Q969 WeakPolarHBondContact O-CB 3.46Å; Q965-Q969 VanDerWaalsContact O-CG 3.3Å; Q965-Q969 WeakPolarHBondContact O-CG 3.46Å; Q965-Q969 PolarHBondContact O-N 3.43Å; Q965-Q969 VanDerWaalsContact O-N 3.08Å; Q969-S973 VanDerWaalsContact O-CB 3.31Å; Q969-S973 WeakPolarHBondContact O-CB 3.4Å; Q969-S973 PolarHBondContact O-N 3.08Å; Q969-S973 PolarHBondContact O-OG 3.24Å
970	G	58.9	Low	64.8	Low	33 Å²	33	107.5 Å²	107.5	34%	0.34	57%	0.571	S	S	.	*	H	α-helix	trans	-60.6	-47.8	172.7	0	0	0	0	0	112	N966 E967 E968 S973 A974	N966-G970 WeakPolarHBondContact O-CA 3.27Å; N966-G970 PolarHBondContact O-N 3.06Å; E967-G970 PolarHBondContact O-N 3.12Å; E968-G970 VanDerWaalsContact C-N 3.25Å; E968-G970 PolarHBondContact O-N 3.45Å; G970-S973 PolarHBondContact O-N 3.18Å; G970-S973 PolarHBondContact O-OG 3.23Å; G970-A974 PolarHBondContact O-N 3.19Å; G970-A974 VanDerWaalsContact O-N 3.07Å
971	T	55.7	Low	62	Low	95 Å²	95	113.5 Å²	113.5	58%	0.583	60%	0.598	S	S	*	*	H	α-helix	trans	-71.5	-38.2	179.9	44.4	0	0	0	0	113.2	E967 E968 A974 H975	E967-T971 PolarHBondContact O-N 2.99Å; E967-T971 PolarHBondContact O-OG1 3.45Å; E968-T971 PolarHBondContact O-N 3.45Å; E968-T971 VanDerWaalsContact O-N 3.15Å; E968-T971 PolarHBondContact O-OG1 3.17Å; T971-A974 PolarHBondContact O-N 2.86Å; T971-H975 PolarHBondContact O-N 3.15Å
972	E	52.6	Low	59.9	Low	144 Å²	144	114 Å²	114	67%	0.673	61%	0.61	S	S	*	*	H	α-helix	trans	-60.2	-45.3	170.3	-72.5	-163.2	138.8	0	0	111.9	E968 A974 H975 L976	E968-E972 PolarHBondContact O-N 3.3Å; E972-A974 VanDerWaalsContact C-N 3.27Å; E972-A974 PolarHBondContact O-N 3.45Å; E972-H975 WeakPolarHBondContact O-CB 3.47Å; E972-H975 PolarHBondContact O-N 3.39Å; E972-L976 PolarHBondContact O-N 2.93Å
973	S	50.2	Low	57	Low	62 Å²	62	119.2 Å²	119.2	43%	0.434	64%	0.636	S	S	.	*	H	α-helix	trans	-64.2	-31.5	178.7	80	0	0	0	0	112.8	Q969 G970 N977	Q969-S973 VanDerWaalsContact O-CB 3.31Å; Q969-S973 WeakPolarHBondContact O-CB 3.4Å; Q969-S973 PolarHBondContact O-N 3.08Å; Q969-S973 PolarHBondContact O-OG 3.24Å; G970-S973 PolarHBondContact O-N 3.18Å; G970-S973 PolarHBondContact O-OG 3.23Å; S973-N977 PolarHBondContact O-N 2.7Å; S973-N977 PolarHBondContact O-ND2 2.86Å
974	A	50.4	Low	54.2	Low	65 Å²	65	122 Å²	122	54%	0.537	65%	0.654	S	S	.	*	H	α-helix	trans	-71.1	-31.3	173.1	0	0	0	0	0	112.4	G970 T971 E972	G970-A974 PolarHBondContact O-N 3.19Å; G970-A974 VanDerWaalsContact O-N 3.07Å; T971-A974 PolarHBondContact O-N 2.86Å; E972-A974 VanDerWaalsContact C-N 3.27Å; E972-A974 PolarHBondContact O-N 3.45Å
975	H	50.7	Low	51.4	Low	154 Å²	154	123.9 Å²	123.9	71%	0.713	67%	0.672	S	S	*	*	H	α-helix	trans	-72.5	-41.2	174.8	-128.2	-92.4	0	0	0	112.1	T971 E972 N977 K978	T971-H975 PolarHBondContact O-N 3.15Å; E972-H975 WeakPolarHBondContact O-CB 3.47Å; E972-H975 PolarHBondContact O-N 3.39Å; H975-N977 VanDerWaalsContact C-N 3.32Å; H975-N977 PolarHBondContact O-N 3.13Å; H975-K978 PolarHBondContact O-N 3Å
976	L	46.7	Very low	48.8	Very low	147 Å²	147	126.6 Å²	126.6	77%	0.77	69%	0.688	S	S	*	*	H	α-helix	trans	-66.2	-31.8	-178.7	-158.6	73.3	0	0	0	112.9	E972 K978	E972-L976 PolarHBondContact O-N 2.93Å; L976-K978 PolarHBondContact O-N 2.98Å; L976-K978 VanDerWaalsContact O-N 3.08Å
977	N	44.5	Very low	46.6	Very low	142 Å²	142	128.8 Å²	128.8	76%	0.759	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	8.4	178.2	-82.3	-69	0	0	0	114.7	S973 H975	S973-N977 PolarHBondContact O-N 2.7Å; S973-N977 PolarHBondContact O-ND2 2.86Å; H975-N977 VanDerWaalsContact C-N 3.32Å; H975-N977 PolarHBondContact O-N 3.13Å
978	K	43.8	Very low	44.6	Very low	182 Å²	182	130.8 Å²	130.8	79%	0.791	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.7	7	-173.2	-134.3	175.6	-174.7	178.9	0	115.2	H975 L976	H975-K978 PolarHBondContact O-N 3Å; L976-K978 PolarHBondContact O-N 2.98Å; L976-K978 VanDerWaalsContact O-N 3.08Å
979	V	39.4	Very low	42.6	Very low	124 Å²	124	133.3 Å²	133.3	75%	0.752	72%	0.721	S	S	*	*			trans	-122.3	101.6	-176	-174.4	0	0	0	0	112.3
980	T	35.1	Very low	41.1	Very low	132 Å²	132	136.2 Å²	136.2	81%	0.81	74%	0.735	S	S	*	*			trans	-159.3	131	159	-4.4	0	0	0	0	104.3
981	E	34.3	Very low	39.8	Very low	182 Å²	182	143.9 Å²	143.9	85%	0.85	76%	0.762	S	S	*	*			cis	-130.4	173.9	28	-78.9	-172.9	134.9	0	0	113.5
982	P	49.7	Very low	38.5	Very low	116 Å²	116	148 Å²	148	75%	0.753	77%	0.774	S	S	*	*			trans	-101.6	164.4	-169.3	39	-35.3	0	0	0	115.5
983	I	31	Very low	37.3	Very low	176 Å²	176	146.4 Å²	146.4	90%	0.903	78%	0.779	S	S	*	*			trans	-148.8	162.8	157	-100.1	146.2	0	0	0	109.1
984	L	31.5	Very low	36.1	Very low	162 Å²	162	147.1 Å²	147.1	85%	0.848	80%	0.797	S	S	*	*			trans	-99.2	150.4	-152.7	-65.9	160.1	0	0	0	116.4
985	A	29.7	Very low	35	Very low	90 Å²	90	149.7 Å²	149.7	74%	0.744	81%	0.811	S	S	*	*			trans	57.1	135.4	145.3	0	0	0	0	0	118.8
986	I	30.2	Very low	33.9	Very low	152 Å²	152	151.6 Å²	151.6	78%	0.779	81%	0.811	S	S	*	*				-153.5	149.5	62.6	-82.5	158.8	0	0	0	110.4
987	D	31.6	Very low	33.1	Very low	156 Å²	156	150.7 Å²	150.7	83%	0.834	80%	0.803	S	S	*	*			trans	-88.6	135	169.3	-49.1	-81	0	0	0	111.2
988	E	34.2	Very low	32.3	Very low	190 Å²	190	152 Å²	152	89%	0.888	81%	0.805	S	S	*	*			trans	-139.7	144	153.6	-75.8	-164	160.3	0	0	110.2
989	E	31.1	Very low	32.2	Very low	177 Å²	177	148.6 Å²	148.6	83%	0.827	80%	0.801	S	S	*	*			trans	-72.9	162.7	-155.5	-68.7	155.5	163.6	0	0	117.4
990	E	31.1	Very low	31.6	Very low	179 Å²	179	146.3 Å²	146.3	84%	0.836	80%	0.803	S	S	*	*			trans	41.7	138.6	139	-58.8	179.1	179.1	0	0	120.3
991	E	31.7	Very low	31.5	Very low	195 Å²	195	149.6 Å²	149.6	91%	0.911	81%	0.809	S	S	*	*			cis	-142.6	170.4	46.2	-68.6	-175.6	127.7	0	0	114.5
992	E	29	Very low	31.2	Very low	180 Å²	180	144.6 Å²	144.6	84%	0.841	81%	0.806	S	S	*	*			trans	-121.1	154.2	173.1	-158.7	-159.4	148.4	0	0	112.1
993	S	26.6	Very low	30.3	Very low	111 Å²	111	147.6 Å²	147.6	78%	0.776	81%	0.81	S	S	*	*			trans	93.9	136.5	147.9	83.3	0	0	0	0	121.1
994	G	26.4	Very low	30.2	Very low	78 Å²	78	146.8 Å²	146.8	80%	0.804	80%	0.802	S	S	*	*			trans	89.5	140.1	158.9	0	0	0	0	0	117.8
995	S	27.5	Very low	29.8	Very low	119 Å²	119	144 Å²	144	83%	0.832	80%	0.795	S	S	*	*			cis	-161.5	167.8	-14.2	65.1	0	0	0	0	113
996	R	27.6	Very low	29.6	Very low	193 Å²	193	148.1 Å²	148.1	73%	0.728	80%	0.799	S	S	*	*			trans	-34.1	158.4	153.8	-70.3	164	65.9	144.5	11.4	114.4
997	E	28.3	Very low	29.4	Very low	129 Å²	129	149.7 Å²	149.7	60%	0.603	80%	0.803	S	S	*	*			cis	-170.2	157.2	6.5	-118.4	162.1	167.1	0	0	112.4
998	E	28.1	Very low	29.2	Very low	169 Å²	169	150.5 Å²	150.5	79%	0.79	80%	0.801	S	S	*	*			trans	58.1	177.1	144.1	-67.4	-87.1	104.2	0	0	120.1
999	P	42.4	Very low	28.9	Very low	111 Å²	111	150.6 Å²	150.6	72%	0.721	80%	0.802	S	S	*	*				-128.4	171	-58.1	37.4	-23.2	0	0	0	114
1000	G	27.5	Very low	28.7	Very low	75 Å²	75	147.5 Å²	147.5	77%	0.773	80%	0.795	S	S	*	*			trans	-88.2	-166.2	-170.8	0	0	0	0	0	118.7
1001	E	31.4	Very low	28.7	Very low	202 Å²	202	146 Å²	146	94%	0.944	79%	0.789	S	S	*	*			trans	-173.7	142.2	149.1	-110.7	-177.7	-175.8	0	0	113.6
1002	G	28.9	Very low	28.6	Very low	76 Å²	76	145.2 Å²	145.2	78%	0.784	78%	0.782	S	S	*	*			trans	63.2	165.1	160.1	0	0	0	0	0	121.1
1003	E	31.4	Very low	28.7	Very low	179 Å²	179	141 Å²	141	84%	0.836	78%	0.778	S	S	*	*			cis	-167	139.9	-44	-131.2	-173.6	173.8	0	0	109.3
1004	H	27.4	Very low	28.7	Very low	159 Å²	159	144.9 Å²	144.9	74%	0.736	78%	0.783	S	S	*	*			trans	60	127.1	172.7	-83.3	-88.6	0	0	0	118.8
1005	C	23	Very low	28.8	Very low	105 Å²	105	151.9 Å²	151.9	71%	0.709	79%	0.786	S	S	*	*				68.7	142.6	81.9	-58.5	0	0	0	0	113.7
1006	E	25.6	Very low	29.6	Very low	176 Å²	176	151.8 Å²	151.8	82%	0.822	78%	0.783	S	S	*	*			cis	-133.2	157.5	21.9	-66.9	171	154.8	0	0	110.7
1007	E	26.6	Very low	29.7	Very low	184 Å²	184	148.2 Å²	148.2	86%	0.86	78%	0.782	S	S	*	*				30.2	136.9	99.8	-62.2	176.3	-173.2	0	0	115.5
1008	E	28.2	Very low	29.8	Very low	173 Å²	173	146.8 Å²	146.8	81%	0.808	79%	0.786	S	S	*	*			cis	-161.1	160.8	0.8	-141.1	-172.5	-165.6	0	0	107.8
1009	E	26.9	Very low	29.9	Very low	193 Å²	193	143.8 Å²	143.8	90%	0.902	78%	0.776	S	S	*	*			trans	-170.2	144.2	142.3	-113.2	179.5	-168.4	0	0	116.2
1010	T	26.9	Very low	29.4	Very low	111 Å²	111	148.1 Å²	148.1	68%	0.681	78%	0.777	S	S	*	*			trans	-69.9	160.6	-165.6	45.1	0	0	0	0	120.7
1011	E	31.8	Very low	29.6	Very low	149 Å²	149	151 Å²	151	70%	0.696	78%	0.775	S	S	*	*			trans	29	141.2	138.3	-65.4	-168.3	138.7	0	0	121
1012	K	30.3	Very low	29.6	Very low	178 Å²	178	147.7 Å²	147.7	77%	0.774	76%	0.764	S	S	*	*				-173.6	171.8	56.8	-136.6	147.6	-168.7	136.4	0	114.6
1013	A	30.8	Very low	29.8	Very low	91 Å²	91	148.4 Å²	148.4	75%	0.752	76%	0.757	S	S	*	*			trans	-61.9	163.8	-172.1	0	0	0	0	0	120.5
1014	E	26.8	Very low	29.8	Very low	192 Å²	192	148.4 Å²	148.4	90%	0.897	76%	0.757	S	S	*	*			trans	-156.6	167	144.6	-128.9	173.5	-165.7	0	0	113.7
1015	W	27.1	Very low	30.2	Very low	226 Å²	226	146.4 Å²	146.4	86%	0.856	76%	0.756	S	S	*	*			trans	-137.6	138.6	176	-82.6	78.9	0	0	0	109.3	V1017	W1015-V1017 HydrophobicContact CE3-CG2 4.21Å
1016	P	44.8	Very low	31.2	Very low	117 Å²	117	147.5 Å²	147.5	76%	0.76	76%	0.762	S	S	*	*				-144.9	169.9	102.2	28.7	-7	0	0	0	112.5
1017	V	29.8	Very low	31.8	Very low	118 Å²	118	147.3 Å²	147.3	72%	0.715	76%	0.761	S	S	*	*			cis	82.4	122	28.1	-177.6	0	0	0	0	114	W1015	W1015-V1017 HydrophobicContact CE3-CG2 4.21Å
1018	S	29.8	Very low	32.3	Very low	99 Å²	99	147.5 Å²	147.5	69%	0.692	76%	0.762	S	S	*	*			cis	-123.9	-131.1	-4.6	47.7	0	0	0	0	111.1
1019	D	29.8	Very low	32.5	Very low	106 Å²	106	143.3 Å²	143.3	57%	0.567	77%	0.765	S	S	*	*			cis	-161.7	143.2	6.9	-144.4	41.7	0	0	0	109.8
1020	R	31.9	Very low	32.6	Very low	201 Å²	201	137.9 Å²	137.9	76%	0.758	76%	0.761	S	S	*	*			trans	71.6	159.2	159	-57.3	-175	-152.5	-134	-15.9	120.3
1021	D	32.8	Very low	33.4	Very low	137 Å²	137	140.6 Å²	140.6	73%	0.733	77%	0.771	S	S	*	*			cis	166.3	155	-18.5	-84.1	-16.8	0	0	0	103.3
1022	D	32	Very low	33.7	Very low	131 Å²	131	139.1 Å²	139.1	70%	0.701	78%	0.778	S	S	*	*			cis	-156.7	170.1	-2.7	-152.6	-19.7	0	0	0	109.7
1023	S	32.4	Very low	34.3	Very low	92 Å²	92	139.6 Å²	139.6	64%	0.643	78%	0.783	S	S	*	*			trans	69.6	144.7	145.7	78.9	0	0	0	0	120.2
1024	Q	31.1	Very low	35.7	Very low	178 Å²	178	140.5 Å²	140.5	83%	0.832	78%	0.781	S	S	*	*			cis	-163.9	158.8	-24.6	-126.8	163.5	3.1	0	0	110.7
1025	T	36.8	Very low	36.1	Very low	118 Å²	118	144.3 Å²	144.3	72%	0.724	80%	0.799	S	S	*	*			trans	-84.1	171.3	157.8	47.5	0	0	0	0	111
1026	P	44	Very low	36.5	Very low	128 Å²	128	140.2 Å²	140.2	83%	0.831	80%	0.796	S	S	*	*			trans	-129.1	157.6	137.9	35.9	-27.1	0	0	0	113.3
1027	E	36.7	Very low	36.1	Very low	172 Å²	172	141.4 Å²	141.4	80%	0.804	80%	0.798	S	S	*	*			trans	-111.7	172.8	-177.2	-67.1	-174.6	126.4	0	0	112.9
1028	E	37.8	Very low	36.5	Very low	187 Å²	187	142.7 Å²	142.7	87%	0.874	80%	0.802	S	S	*	*			trans	41.8	126.7	152.5	-69.6	-168.3	160.5	0	0	123
1029	G	32.7	Very low	36.9	Very low	85 Å²	85	145.3 Å²	145.3	88%	0.876	81%	0.809	S	S	*	*				88.1	123.7	108.5	0	0	0	0	0	119.8
1030	G	28.8	Very low	37.3	Very low	79 Å²	79	147.8 Å²	147.8	81%	0.814	82%	0.824	S	S	*	*			trans	169	107.2	164.4	0	0	0	0	0	115.3
1031	D	44.1	Very low	37.7	Very low	168 Å²	168	144.2 Å²	144.2	90%	0.898	83%	0.828	S	S	*	*			trans	-76.1	149.9	165.6	-81.4	-50.5	0	0	0	111.6
1032	S	37.6	Very low	38	Very low	119 Å²	119	144.7 Å²	144.7	83%	0.832	84%	0.835	S	S	*	*			trans	-165.3	106.8	154.5	10	0	0	0	0	113.9
1033	E	42.7	Very low	38.5	Very low	187 Å²	187	145.8 Å²	145.8	87%	0.874	85%	0.845	S	S	*	*			trans	-76.8	173.5	145.2	-99.7	-169.9	168.5	0	0	109.7
1034	P	61	Low	39	Very low	110 Å²	110	150.3 Å²	150.3	71%	0.714	86%	0.862	S	S	*	*			cis	-135.3	151.7	10	37.9	-20.6	0	0	0	117.1
1035	Q	34.5	Very low	39.7	Very low	272 Å²	272	147.7 Å²	147.7	100%	1.271	87%	0.865	S	S	*	*				-172.7	0	124.2	-109.9	-174.9	4.1	0	0	113.2

Retrieved 1,035 of 1,035 residues in 854.8 ms (Link to these results)

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