A0A077ZFD0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZFD0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,004 aa.

						>A0A077ZFD0_TRITR|A0A077ZFD0
MFPENIAPSSRVSQGAADSNTDPLPLHVKVLEALASLWQPQGTMPIKPGVECMPKLGETAYQTTAENGDGRYNIWQSYSTLSFLRFRCVAADDREWLIYTTRLLGTYASSSKVIDVRARTSDTPKLKNVNAVEVGQEVDDKGSDSKDKSSSGLLNRSMRYIAQWLASSPPNCYDEDVFLRLIQIGMLVPNIDCVKEDRLTYVVSPEFLGGTFSFGPCSPLLIYPVEAMAIPLDTYVDAYRRSAYDMGEFSRGHWDNSVAVIPVRVSDQGNWLIPYTFAHLTSRIFNAQTPVLSVTRGRTTLDAVPLASLSVIPGPVRVLFVLVDATTSDGLDFWRCGSSQLGVRVPVWNLSSSPPESTKLVRLFWDWLKCRSADNDVGVAWKNLGARRQAGFKPVSAITLAAELFTRKFWPKALPSSKLPSDSGIVVLNNFATKDSVTVHDSASMPTKSNLTEHVLEIPEIEPRDQWVLFWAQPNSGTQRQYSRLALYNKKSGDIAETFWHPSLPTTVPYIVELRNAPQLSLFGQPGVDWAVVVESSYDRHFDVVPCDSRKAAYKFLMSGNTSDTVISWSVPEEAPCCACKASVLIKRPYLFDIGSSTTAPTPNKCGRWWTETKAACDEFARQCGCPDLYLAYETDLENDSDAVAAFQPLFLCRSSPHMRTWTAEWSINKNRVTLTEVDDVERSPMLLNGGGQNLLCDYSVRTGFHLHRVGNALGFYEPDGETPDFFSAKQMSMFVRQVACLAGGLFEVLTAFNGFNATMVLGLYSEIANEMTAKTLDGLWIPTFGHISGWEVNRNNWWLLGGLEFPSVLLRGDDHTNWNSVFFSLTPHYEIKILLVKLGIWSDDGWWPRSSSTLFERCGIQIDSGNLCLLEMQVGESLSARNCVPRAVFFHYECQAKWLPREAIAFGGPWQLFDHCGHYSTHLNRSCGWSLARTKMIARFGVVVHPICPPRFMQVCNSVSSSALWVDTVVSEGGDCQTKVTSDYLSIYSEQTLYILSLIGGSP
					

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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	24.3	Very low	24.3	Very low	241 Å²	241	144.5 Å²	144.5	100%	1.187	78%	0.783	S	S	*	*				0	147.4	0	-85.5	166.5	162.7	0	0	107.7
2	F	25.5	Very low	24.3	Very low	170 Å²	170	142.3 Å²	142.3	75%	0.746	78%	0.777	S	S	*	*			trans	-74.8	157.8	169.4	-62.5	-82.6	0	0	0	109.7	E4	F2-E4 HydrophobicContact CB-CB 4.06Å; F2-E4 HydrophobicContact CB-CG 3.98Å; F2-E4 HydrophobicContact CD1-CG 4.11Å; F2-E4 HydrophobicContact CG-CG 4.15Å
3	P	24.6	Very low	24.4	Very low	109 Å²	109	140.3 Å²	140.3	71%	0.708	78%	0.78	S	S	*	*				-107.3	150.5	74.4	34.3	-35.1	0	0	0	112.3
4	E	21.6	Very low	24.5	Very low	136 Å²	136	144 Å²	144	64%	0.636	79%	0.788	S	S	*	*			cis	58.9	63.6	17.5	-68.9	-163.8	157.6	0	0	115.7	F2	F2-E4 HydrophobicContact CB-CB 4.06Å; F2-E4 HydrophobicContact CB-CG 3.98Å; F2-E4 HydrophobicContact CD1-CG 4.11Å; F2-E4 HydrophobicContact CG-CG 4.15Å
5	N	25.7	Very low	24.5	Very low	151 Å²	151	138.9 Å²	138.9	81%	0.807	78%	0.782	S	S	*	*			trans	-129.3	93	137.5	-78.3	-52.6	0	0	0	105.2
6	I	24.4	Very low	24.6	Very low	136 Å²	136	135.6 Å²	135.6	70%	0.697	78%	0.778	S	S	*	*				56.7	116.1	68.6	-52.8	-178.4	0	0	0	111.2
7	A	24.2	Very low	24.7	Very low	77 Å²	77	133.6 Å²	133.6	64%	0.636	78%	0.782	S	S	*	*			trans	-48.4	163.5	-176.2	0	0	0	0	0	115.7
8	P	24.5	Very low	24.9	Very low	130 Å²	130	133.9 Å²	133.9	84%	0.844	78%	0.78	S	S	*	*				-120.5	123.2	99.7	33.6	-32.8	0	0	0	113.3	S10	P8-S10 PolarHBondContact O-N 2.91Å
9	S	23.3	Very low	25.2	Very low	94 Å²	94	132.7 Å²	132.7	66%	0.657	78%	0.779	S	S	*	*			trans	-79	108.9	166.1	58.4	0	0	0	0	109.4	R11	S9-R11 PolarHBondContact O-N 2.55Å
10	S	27.1	Very low	25.3	Very low	120 Å²	120	133 Å²	133	84%	0.839	78%	0.777	S	S	*	*			trans	-66.7	114.1	159.1	40.4	0	0	0	0	108.3	P8	P8-S10 PolarHBondContact O-N 2.91Å
11	R	22.7	Very low	25.4	Very low	226 Å²	226	133 Å²	133	85%	0.853	78%	0.78	S	S	*	*			trans	-73.5	133.7	-176.6	-74.5	175.9	171	168.5	-4.5	111.1	S9	S9-R11 PolarHBondContact O-N 2.55Å
12	V	24.1	Very low	25.6	Very low	117 Å²	117	126.7 Å²	126.7	71%	0.709	75%	0.75	S	S	*	*			trans	30.2	110.7	134.1	-174.7	0	0	0	0	116.7	Q14	V12-Q14 HydrophobicContact CG1-CB 4.26Å; V12-Q14 HydrophobicContact CG1-CG 3.92Å
13	S	25.9	Very low	25.8	Very low	117 Å²	117	122.4 Å²	122.4	82%	0.818	74%	0.739	S	S	*	*			trans	-108.9	92.4	141.9	57.6	0	0	0	0	109.1	G15	S13-G15 PolarHBondContact O-N 3.41Å
14	Q	25.2	Very low	26.1	Very low	192 Å²	192	122.8 Å²	122.8	90%	0.897	74%	0.735	S	S	*	*			trans	-67.9	108.3	154.7	-81.6	176.8	-34.9	0	0	106.3	V12	V12-Q14 HydrophobicContact CG1-CB 4.26Å; V12-Q14 HydrophobicContact CG1-CG 3.92Å
15	G	24.9	Very low	26.7	Very low	68 Å²	68	120 Å²	120	70%	0.701	73%	0.729	S	S	*	*			trans	-146.4	155	-179	0	0	0	0	0	108.9	S13	S13-G15 PolarHBondContact O-N 3.41Å
16	A	26.3	Very low	27.1	Very low	86 Å²	86	116.9 Å²	116.9	71%	0.711	71%	0.712	S	S	*	*			trans	-60.5	162.2	-172	0	0	0	0	0	113.1	D18	A16-D18 PolarHBondContact O-N 3.39Å
17	A	26.8	Very low	27.5	Very low	102 Å²	102	116.1 Å²	116.1	84%	0.843	71%	0.705	S	S	*	*			trans	-70.1	82.9	166.4	0	0	0	0	0	109.5	S19	A17-S19 PolarHBondContact O-N 3.12Å
18	D	26.9	Very low	28.1	Very low	139 Å²	139	116 Å²	116	74%	0.743	70%	0.696	S	S	*	*			trans	-62.6	102.3	168.7	-81.2	-27	0	0	0	108.3	A16 N20	A16-D18 PolarHBondContact O-N 3.39Å; D18-N20 PolarHBondContact O-N 2.87Å
19	S	30.6	Very low	28.7	Very low	111 Å²	111	115.8 Å²	115.8	78%	0.776	68%	0.682	S	S	*	*			trans	-72.6	28.3	-177	60.2	0	0	0	0	113.6	A17	A17-S19 PolarHBondContact O-N 3.12Å
20	N	27.1	Very low	29.4	Very low	138 Å²	138	112.8 Å²	112.8	74%	0.738	66%	0.66	S	S	*	*			trans	-110.6	57.7	-177	-69.9	-17.8	0	0	0	110.1	D18 D22	D18-N20 PolarHBondContact O-N 2.87Å; N20-D22 PolarHBondContact O-N 3.12Å
21	T	28.5	Very low	29.8	Very low	134 Å²	134	111.6 Å²	111.6	82%	0.822	64%	0.643	S	S	*	*			trans	-71.8	75.5	161.3	48.8	0	0	0	0	109.3
22	D	27.9	Very low	30.4	Very low	107 Å²	107	106.7 Å²	106.7	57%	0.572	63%	0.63	S	S	*	*			trans	-47.8	125.2	166.6	-167.4	-11.8	0	0	0	108.9	N20 L24 P25	N20-D22 PolarHBondContact O-N 3.12Å; D22-L24 VanDerWaalsContact C-N 3.25Å; D22-L24 PolarHBondContact O-N 2.76Å; D22-L24 VanDerWaalsContact O-N 3.14Å; D22-P25 WeakPolarHBondContact O-CD 3.38Å
23	P	29.6	Very low	30.8	Very low	80 Å²	80	102.4 Å²	102.4	52%	0.519	61%	0.607	S	S	.	*	S	Bend	trans	-70	-12.1	-163.2	23.5	-35	0	0	0	116	L26	P23-L26 WeakPolarHBondContact O-CB 3.11Å; P23-L26 PolarHBondContact O-N 3.42Å
24	L	30.7	Very low	31.1	Very low	117 Å²	117	99.7 Å²	99.7	61%	0.613	58%	0.583	S	S	*	*	H	α-helix	trans	-48.5	-40.3	-177.5	-84.9	157.2	0	0	0	116.5	D22 L26 H27 V28	D22-L24 VanDerWaalsContact C-N 3.25Å; D22-L24 PolarHBondContact O-N 2.76Å; D22-L24 VanDerWaalsContact O-N 3.14Å; L24-L26 PolarHBondContact O-N 2.88Å; L24-H27 PolarHBondContact O-N 3.29Å; L24-V28 PolarHBondContact O-N 3.5Å
25	P	34	Very low	31.3	Very low	79 Å²	79	93.3 Å²	93.3	51%	0.513	56%	0.563	S	S	.	*	H	α-helix	trans	-64	-23.7	178.4	-21.7	34.7	0	0	0	113.8	D22 K29	D22-P25 WeakPolarHBondContact O-CD 3.38Å; P25-K29 WeakPolarHBondContact O-CG 3.47Å; P25-K29 PolarHBondContact O-N 2.98Å; P25-K29 VanDerWaalsContact O-N 3.14Å
26	L	33.8	Very low	31.5	Very low	85 Å²	85	93.8 Å²	93.8	45%	0.445	56%	0.556	S	S	.	*	H	α-helix	trans	-76.6	-38.6	-178.6	-138.6	152.6	0	0	0	110.5	P23 L24 K29 V30	P23-L26 WeakPolarHBondContact O-CB 3.11Å; P23-L26 PolarHBondContact O-N 3.42Å; L24-L26 PolarHBondContact O-N 2.88Å; L26-K29 PolarHBondContact O-N 2.95Å; L26-V30 HydrophobicContact CD2-CG2 4.33Å; L26-V30 WeakPolarHBondContact O-CG2 3.32Å; L26-V30 PolarHBondContact O-N 3.35Å
27	H	33.8	Very low	31.5	Very low	119 Å²	119	96 Å²	96	55%	0.551	56%	0.555	S	S	*	*	H	α-helix	trans	-62.9	-43	173	-172.9	-3.3	0	0	0	112	L24 V30 L31	L24-H27 PolarHBondContact O-N 3.29Å; H27-V30 PolarHBondContact O-N 2.62Å; H27-L31 PolarHBondContact O-N 3.1Å; H27-L31 VanDerWaalsContact O-N 3.09Å
28	V	37.5	Very low	31.4	Very low	76 Å²	76	102.2 Å²	102.2	46%	0.461	56%	0.557	S	S	.	*	H	α-helix	trans	-63.1	-49	177.5	178.2	0	0	0	0	110.9	L24 V30 L31 E32	L24-V28 PolarHBondContact O-N 3.5Å; V28-V30 VanDerWaalsContact C-N 3.3Å; V28-V30 PolarHBondContact O-N 2.81Å; V28-L31 WeakPolarHBondContact O-CB 3.45Å; V28-L31 PolarHBondContact O-N 2.98Å; V28-L31 VanDerWaalsContact O-N 3.08Å; V28-E32 HydrophobicContact CG1-CG 4.36Å; V28-E32 WeakPolarHBondContact O-CG 3.26Å; V28-E32 PolarHBondContact O-N 2.88Å
29	K	37.3	Very low	31.1	Very low	125 Å²	125	102.6 Å²	102.6	54%	0.543	55%	0.554	S	S	.	*	H	α-helix	trans	-59.8	-36.8	178	-76.8	179.4	174.7	-173.3	0	113.4	P25 L26 E32 A33	P25-K29 WeakPolarHBondContact O-CG 3.47Å; P25-K29 PolarHBondContact O-N 2.98Å; P25-K29 VanDerWaalsContact O-N 3.14Å; L26-K29 PolarHBondContact O-N 2.95Å; K29-E32 PolarHBondContact O-N 2.87Å; K29-A33 WeakPolarHBondContact O-CB 3.41Å; K29-A33 PolarHBondContact O-N 2.81Å
30	V	36.3	Very low	30.8	Very low	30 Å²	30	103 Å²	103	18%	0.182	55%	0.554	C	S	.	*	H	α-helix	trans	-66.9	-40.4	175.1	168.6	0	0	0	0	111.2	L26 H27 V28 A33 L34 L746	L26-V30 HydrophobicContact CD2-CG2 4.33Å; L26-V30 WeakPolarHBondContact O-CG2 3.32Å; L26-V30 PolarHBondContact O-N 3.35Å; H27-V30 PolarHBondContact O-N 2.62Å; V28-V30 VanDerWaalsContact C-N 3.3Å; V28-V30 PolarHBondContact O-N 2.81Å; V30-A33 PolarHBondContact O-N 3.43Å; V30-L34 HydrophobicContact CG1-CD1 3.96Å; V30-L34 WeakPolarHBondContact O-CB 3.42Å; V30-L34 VanDerWaalsContact O-CG 3.27Å; V30-L34 WeakPolarHBondContact O-CG 3.39Å; V30-L34 PolarHBondContact O-N 2.85Å; V30-L746 HydrophobicContact CG1-CD2 4.19Å
31	L	35.6	Very low	30.5	Very low	96 Å²	96	105.6 Å²	105.6	50%	0.503	56%	0.562	S	S	.	*	H	α-helix	trans	-65.4	-40.7	174.1	-76.2	171	0	0	0	112.5	H27 V28 L34 A35	H27-L31 PolarHBondContact O-N 3.1Å; H27-L31 VanDerWaalsContact O-N 3.09Å; V28-L31 WeakPolarHBondContact O-CB 3.45Å; V28-L31 PolarHBondContact O-N 2.98Å; V28-L31 VanDerWaalsContact O-N 3.08Å; L31-L34 PolarHBondContact O-N 2.87Å; L31-A35 WeakPolarHBondContact O-CB 3.3Å; L31-A35 PolarHBondContact O-N 2.83Å
32	E	36.2	Very low	30.3	Very low	123 Å²	123	102.6 Å²	102.6	58%	0.575	56%	0.558	S	S	*	*	H	α-helix	trans	-64	-40.3	175.8	-70.4	176.8	150.1	0	0	112.1	V28 K29 A35 S36	V28-E32 HydrophobicContact CG1-CG 4.36Å; V28-E32 WeakPolarHBondContact O-CG 3.26Å; V28-E32 PolarHBondContact O-N 2.88Å; K29-E32 PolarHBondContact O-N 2.87Å; E32-A35 PolarHBondContact O-N 2.74Å; E32-S36 PolarHBondContact O-N 3.06Å; E32-S36 PolarHBondContact O-OG 3.02Å
33	A	33.1	Very low	30	Very low	27 Å²	27	104 Å²	104	22%	0.223	57%	0.57	C	S	.	*	H	α-helix	trans	-66	-41.3	174.7	0	0	0	0	0	112.5	K29 V30 A35 S36 L37	K29-A33 WeakPolarHBondContact O-CB 3.41Å; K29-A33 PolarHBondContact O-N 2.81Å; V30-A33 PolarHBondContact O-N 3.43Å; A33-A35 VanDerWaalsContact C-N 3.35Å; A33-S36 PolarHBondContact O-N 3.25Å; A33-S36 PolarHBondContact O-OG 3.26Å; A33-S36 VanDerWaalsContact O-OG 3.06Å; A33-L37 WeakPolarHBondContact O-CG 3.11Å; A33-L37 PolarHBondContact O-N 3.28Å
34	L	31.3	Very low	29.7	Very low	59 Å²	59	108.2 Å²	108.2	31%	0.309	59%	0.585	S	S	.	*	H	α-helix	trans	-66.4	-36.2	174.8	-71.8	168.1	0	0	0	112.1	V30 L31	V30-L34 HydrophobicContact CG1-CD1 3.96Å; V30-L34 WeakPolarHBondContact O-CB 3.42Å; V30-L34 VanDerWaalsContact O-CG 3.27Å; V30-L34 WeakPolarHBondContact O-CG 3.39Å; V30-L34 PolarHBondContact O-N 2.85Å; L31-L34 PolarHBondContact O-N 2.87Å
35	A	29.6	Very low	29.4	Very low	59 Å²	59	107.8 Å²	107.8	49%	0.488	59%	0.59	S	S	.	*	H	α-helix	trans	-70.5	-38.3	176.8	0	0	0	0	0	112.7	L31 E32 A33 W38	L31-A35 WeakPolarHBondContact O-CB 3.3Å; L31-A35 PolarHBondContact O-N 2.83Å; E32-A35 PolarHBondContact O-N 2.74Å; A33-A35 VanDerWaalsContact C-N 3.35Å; A35-W38 PolarHBondContact O-N 2.93Å
36	S	28.2	Very low	28.9	Very low	78 Å²	78	110 Å²	110	55%	0.545	60%	0.596	S	S	.	*	H	α-helix	trans	-69	-35.3	178.7	68.5	0	0	0	0	112.5	E32 A33 W38 Q39	E32-S36 PolarHBondContact O-N 3.06Å; E32-S36 PolarHBondContact O-OG 3.02Å; A33-S36 PolarHBondContact O-N 3.25Å; A33-S36 PolarHBondContact O-OG 3.26Å; A33-S36 VanDerWaalsContact O-OG 3.06Å; S36-W38 PolarHBondContact O-N 3.23Å; S36-W38 VanDerWaalsContact O-N 3.12Å; S36-Q39 PolarHBondContact O-N 2.82Å
37	L	27	Very low	28.4	Very low	132 Å²	132	111.6 Å²	111.6	69%	0.691	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	-16.1	171.3	-76.7	166.9	0	0	0	114.2	A33	A33-L37 WeakPolarHBondContact O-CG 3.11Å; A33-L37 PolarHBondContact O-N 3.28Å
38	W	23.7	Very low	27.9	Very low	233 Å²	233	109.8 Å²	109.8	88%	0.883	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	3.6	177.7	-94.7	-22.8	0	0	0	115.3	A35 S36 P40	A35-W38 PolarHBondContact O-N 2.93Å; S36-W38 PolarHBondContact O-N 3.23Å; S36-W38 VanDerWaalsContact O-N 3.12Å; W38-P40 WeakPolarHBondContact O-CD 3.36Å
39	Q	21	Very low	27.3	Very low	147 Å²	147	108.3 Å²	108.3	69%	0.687	60%	0.598	S	S	*	*	S	Bend	trans	-95.8	110.1	167.1	-69	-156	1.1	0	0	111.4	S36 Q41	S36-Q39 PolarHBondContact O-N 2.82Å; Q39-Q41 PolarHBondContact O-N 3.02Å
40	P	23.6	Very low	26.8	Very low	120 Å²	120	108.4 Å²	108.4	78%	0.779	61%	0.608	S	S	*	*			trans	-78.3	82.4	-173.6	32.1	-36.3	0	0	0	112.4	W38 G42	W38-P40 WeakPolarHBondContact O-CD 3.36Å; P40-G42 PolarHBondContact O-N 2.85Å
41	Q	21.7	Very low	26.2	Very low	191 Å²	191	116.5 Å²	116.5	89%	0.893	64%	0.644	S	S	*	*			trans	-72.5	90.9	166.2	-66.9	-164.3	4.8	0	0	110.2	Q39	Q39-Q41 PolarHBondContact O-N 3.02Å
42	G	24.4	Very low	25.6	Very low	72 Å²	72	115.9 Å²	115.9	74%	0.742	65%	0.647	S	S	*	*			trans	-179.3	18.3	-177.9	0	0	0	0	0	117.2	P40 M44	P40-G42 PolarHBondContact O-N 2.85Å; G42-M44 PolarHBondContact O-N 3.36Å
43	T	21.4	Very low	25.1	Very low	136 Å²	136	112.4 Å²	112.4	83%	0.834	63%	0.631	S	S	*	*			trans	-75.5	107.4	177.8	31.1	0	0	0	0	112
44	M	22.7	Very low	24.7	Very low	168 Å²	168	115 Å²	115	83%	0.828	65%	0.646	S	S	*	*			trans	-58.8	136.4	175.3	-170.2	179.6	-177.6	0	0	111.6	G42 I46	G42-M44 PolarHBondContact O-N 3.36Å; M44-I46 PolarHBondContact O-N 2.71Å
45	P	24.3	Very low	24.4	Very low	109 Å²	109	119.4 Å²	119.4	71%	0.708	66%	0.663	S	S	*	*			trans	-76.5	117.7	-168.7	27.6	-34.9	0	0	0	114.7
46	I	23.4	Very low	24.4	Very low	126 Å²	126	121.1 Å²	121.1	65%	0.646	66%	0.663	S	S	*	*	S	Bend	trans	40.6	104.6	137.8	-51.3	175.8	0	0	0	117.6	M44 F333	M44-I46 PolarHBondContact O-N 2.71Å; I46-F333 HydrophobicContact CG1-CE1 4.45Å
47	K	23.4	Very low	24.1	Very low	118 Å²	118	120.6 Å²	120.6	51%	0.513	67%	0.671	S	S	.	*			trans	46	88.5	149.7	-54.9	-169.1	-169.2	-162.1	0	118.7	G49 D332	K47-G49 PolarHBondContact O-N 3.25Å; K47-D332 HydrophobicContact CD-CB 4.15Å; K47-D332 VanDerWaalsContact CE-CB 3.42Å; K47-D332 HydrophobicContact CG-CB 4.49Å; K47-D332 IonicContact NZ-OD2 3.89Å; K47-D332 PolarHBondContact NZ-OD2 2.99Å
48	P	24.5	Very low	23.9	Very low	81 Å²	81	119.8 Å²	119.8	53%	0.526	66%	0.663	S	S	.	*			trans	-70.2	117.6	136.9	31.2	-28.4	0	0	0	108.6
49	G	23.7	Very low	23.9	Very low	44 Å²	44	111.6 Å²	111.6	45%	0.454	64%	0.639	S	S	.	*			trans	-63.4	159.6	167.9	0	0	0	0	0	111	K47 E51 C52 M53	K47-G49 PolarHBondContact O-N 3.25Å; G49-E51 VanDerWaalsContact C-N 3.25Å; G49-E51 PolarHBondContact O-N 2.99Å; G49-C52 CarbonylContact O-C 3.54Å; G49-C52 WeakPolarHBondContact O-CA 3.26Å; G49-C52 PolarHBondContact O-N 3.23Å; G49-M53 PolarHBondContact O-N 2.91Å
50	V	27.4	Very low	24.1	Very low	127 Å²	127	109.7 Å²	109.7	77%	0.77	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-55.7	-39.1	-173.1	-176.3	0	0	0	0	112.5	C52 M53	V50-C52 PolarHBondContact O-N 3.06Å; V50-M53 HydrophobicContact CG1-SD 4.5Å; V50-M53 PolarHBondContact O-N 3.16Å
51	E	24.7	Very low	24	Very low	200 Å²	200	112.5 Å²	112.5	94%	0.935	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-69.3	-12.7	176.2	-59.2	-177.8	168	0	0	114.2	G49	G49-E51 VanDerWaalsContact C-N 3.25Å; G49-E51 PolarHBondContact O-N 2.99Å
52	C	23.3	Very low	24	Very low	83 Å²	83	111.3 Å²	111.3	56%	0.561	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-114	15	178.8	-68	0	0	0	0	112.7	G49 V50	G49-C52 CarbonylContact O-C 3.54Å; G49-C52 WeakPolarHBondContact O-CA 3.26Å; G49-C52 PolarHBondContact O-N 3.23Å; V50-C52 PolarHBondContact O-N 3.06Å
53	M	24.1	Very low	23.9	Very low	50 Å²	50	113.1 Å²	113.1	25%	0.246	64%	0.636	C	S	.	*	S	Bend	trans	-60.3	129.6	165.5	-72.8	-178.4	69.1	0	0	108.9	G49 V50 K55 M228 A229	G49-M53 PolarHBondContact O-N 2.91Å; V50-M53 HydrophobicContact CG1-SD 4.5Å; V50-M53 PolarHBondContact O-N 3.16Å; M53-K55 PolarHBondContact O-N 2.72Å; M53-M228 HydrophobicContact CE-CE 3.81Å; M53-M228 HydrophobicContact CE-CG 4.28Å; M53-M228 HydrophobicContact SD-CE 3.98Å; M53-A229 WeakPolarHBondContact CE-O 3.29Å
54	P	26.4	Very low	24	Very low	82 Å²	82	112 Å²	112	53%	0.532	63%	0.629	S	S	.	*			trans	-69.4	103.3	-173.2	27.1	-34.1	0	0	0	110.3	L56	P54-L56 PolarHBondContact O-N 2.71Å; P54-L56 VanDerWaalsContact O-N 3.08Å
55	K	24.5	Very low	24.1	Very low	151 Å²	151	108.1 Å²	108.1	66%	0.657	62%	0.623	S	S	*	*			trans	-56.1	113.3	153.4	-77.2	-163.8	167.3	-144.8	0	106.7	M53 G57 E226	M53-K55 PolarHBondContact O-N 2.72Å; K55-G57 PolarHBondContact O-N 3.15Å; K55-E226 IonicContact NZ-OE1 2.98Å; K55-E226 PolarHBondContact NZ-OE1 3.14Å
56	L	28.6	Very low	24.1	Very low	95 Å²	95	112 Å²	112	50%	0.497	63%	0.632	S	S	.	*			trans	-73.2	65.3	177.3	-79.1	161.4	0	0	0	110.5	P54 A227	P54-L56 PolarHBondContact O-N 2.71Å; P54-L56 VanDerWaalsContact O-N 3.08Å; L56-A227 HydrophobicContact CB-CB 4.38Å; L56-A227 HydrophobicContact CD1-CB 3.92Å
57	G	23.5	Very low	24.3	Very low	68 Å²	68	113.4 Å²	113.4	70%	0.701	64%	0.641	S	S	*	*			trans	-107.5	17.1	-178.1	0	0	0	0	0	113.8	K55	K55-G57 PolarHBondContact O-N 3.15Å
58	E	22.7	Very low	24.4	Very low	115 Å²	115	110.5 Å²	110.5	54%	0.537	65%	0.645	S	S	.	*			trans	-94	114.3	170.5	-71.9	-166.1	148.5	0	0	110.5	A60	E58-A60 PolarHBondContact O-N 2.8Å
59	T	23.6	Very low	24.4	Very low	61 Å²	61	112.6 Å²	112.6	37%	0.374	65%	0.651	S	S	.	*			trans	-59.7	125.2	163.3	46.6	0	0	0	0	109.8	Y61 I222	T59-Y61 WeakPolarHBondContact O-CD2 3.5Å; T59-Y61 PolarHBondContact O-N 3.13Å; T59-Y61 WeakPolarHBondContact OG1-CD2 3.3Å; T59-Y61 WeakPolarHBondContact OG1-CE2 3.37Å; T59-I222 HydrophobicContact CG2-CB 4.26Å; T59-I222 HydrophobicContact CG2-CD1 4.01Å; T59-I222 HydrophobicContact CG2-CG1 3.84Å; T59-I222 HydrophobicContact CG2-CG2 3.44Å; T59-I222 VanDerWaalsContact CG2-CG2 3.44Å
60	A	24	Very low	24.4	Very low	106 Å²	106	113.4 Å²	113.4	88%	0.876	66%	0.659	S	S	*	*			trans	-65.4	91.4	-178.7	0	0	0	0	0	112.3	E58 Q62	E58-A60 PolarHBondContact O-N 2.8Å; A60-Q62 PolarHBondContact O-N 3.36Å
61	Y	21.5	Very low	24.3	Very low	180 Å²	180	115.7 Å²	115.7	71%	0.706	65%	0.654	S	S	*	*			trans	-79.4	92.4	177.7	-96.6	-83.3	0	0	0	111.2	T59 T63	T59-Y61 WeakPolarHBondContact O-CD2 3.5Å; T59-Y61 PolarHBondContact O-N 3.13Å; T59-Y61 WeakPolarHBondContact OG1-CD2 3.3Å; T59-Y61 WeakPolarHBondContact OG1-CE2 3.37Å; Y61-T63 HydrophobicContact CD1-CG2 3.82Å; Y61-T63 HydrophobicContact CG-CG2 4.44Å; Y61-T63 PolarHBondContact O-N 2.97Å; Y61-T63 VanDerWaalsContact O-N 3.16Å
62	Q	23	Very low	24.3	Very low	165 Å²	165	115.3 Å²	115.3	77%	0.771	65%	0.646	S	S	*	*			trans	-85.7	76.4	174.4	-160	174.4	31.4	0	0	110.7	A60 T64	A60-Q62 PolarHBondContact O-N 3.36Å; Q62-T64 PolarHBondContact O-N 3.5Å
63	T	22	Very low	24.3	Very low	111 Å²	111	115.6 Å²	115.6	68%	0.681	64%	0.641	S	S	*	*			trans	-83.6	-0.4	-164.3	42.6	0	0	0	0	116.9	Y61	Y61-T63 HydrophobicContact CD1-CG2 3.82Å; Y61-T63 HydrophobicContact CG-CG2 4.44Å; Y61-T63 PolarHBondContact O-N 2.97Å; Y61-T63 VanDerWaalsContact O-N 3.16Å
64	T	22.9	Very low	24.3	Very low	112 Å²	112	117.9 Å²	117.9	69%	0.687	65%	0.653	S	S	*	*			trans	-128	59.7	-172.5	57.6	0	0	0	0	113.3	Q62	Q62-T64 PolarHBondContact O-N 3.5Å
65	A	24.6	Very low	24.1	Very low	86 Å²	86	124.2 Å²	124.2	71%	0.711	67%	0.667	S	S	*	*			trans	-80.3	-20	177.5	0	0	0	0	0	114.5	N67 G68	A65-N67 PolarHBondContact O-N 2.82Å; A65-N67 VanDerWaalsContact O-N 3.16Å; A65-G68 PolarHBondContact O-N 3.16Å
66	E	25.6	Very low	24.1	Very low	191 Å²	191	123.4 Å²	123.4	89%	0.893	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-17.2	-177.2	-67.1	-166.1	144.9	0	0	114.4
67	N	26.8	Very low	23.9	Very low	156 Å²	156	121 Å²	121	83%	0.834	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.8	62.7	165.6	-76.1	-68.8	0	0	0	108.9	A65 D69	A65-N67 PolarHBondContact O-N 2.82Å; A65-N67 VanDerWaalsContact O-N 3.16Å; N67-D69 PolarHBondContact O-N 3.35Å
68	G	25.6	Very low	24	Very low	57 Å²	57	123.7 Å²	123.7	59%	0.588	65%	0.647	S	S	*	*			trans	-52.3	118.9	-175.3	0	0	0	0	0	113.3	A65 G70	A65-G68 PolarHBondContact O-N 3.16Å; G68-G70 PolarHBondContact O-N 2.83Å
69	D	24.3	Very low	23.9	Very low	125 Å²	125	122.4 Å²	122.4	67%	0.668	65%	0.65	S	S	*	*			trans	-77.4	35.7	-162.6	-162.8	7.6	0	0	0	114.9	N67 R71	N67-D69 PolarHBondContact O-N 3.35Å; D69-R71 WeakPolarHBondContact O-CG 3.46Å; D69-R71 PolarHBondContact O-N 2.86Å; D69-R71 IonicContact OD1-NE 3.58Å; D69-R71 IonicContact OD1-NH2 3.1Å
70	G	24.4	Very low	23.9	Very low	60 Å²	60	125 Å²	125	62%	0.619	67%	0.666	S	S	*	*	S	Bend	trans	61.3	-10.3	159.8	0	0	0	0	0	120.2	G68 N73	G68-G70 PolarHBondContact O-N 2.83Å; G70-N73 WeakPolarHBondContact O-CB 3.43Å
71	R	24.4	Very low	23.8	Very low	176 Å²	176	124.8 Å²	124.8	66%	0.664	65%	0.65	S	S	*	*			trans	-97.3	-21.4	-164.1	-70	173.1	-137.1	-143.5	5.2	115.9	D69 N73	D69-R71 WeakPolarHBondContact O-CG 3.46Å; D69-R71 PolarHBondContact O-N 2.86Å; D69-R71 IonicContact OD1-NE 3.58Å; D69-R71 IonicContact OD1-NH2 3.1Å; R71-N73 PolarHBondContact O-N 2.86Å
72	Y	24	Very low	23.8	Very low	192 Å²	192	120.7 Å²	120.7	75%	0.753	65%	0.647	S	S	*	*	S	Bend	trans	-81.4	68.4	153.3	-70.7	-74.9	0	0	0	107.6
73	N	23.7	Very low	23.8	Very low	88 Å²	88	120.7 Å²	120.7	47%	0.471	65%	0.645	S	S	.	*			trans	-73.5	160.1	178.4	51.6	14.2	0	0	0	110.3	G70 R71 W75	G70-N73 WeakPolarHBondContact O-CB 3.43Å; R71-N73 PolarHBondContact O-N 2.86Å; N73-W75 PolarHBondContact O-N 2.99Å
74	I	24.4	Very low	23.8	Very low	98 Å²	98	121.8 Å²	121.8	50%	0.503	65%	0.646	S	S	.	*	G	3₁₀ helix	trans	-60.1	-2.4	-166.5	-69.3	157.5	0	0	0	114.6	Q76 S77 F214	I74-Q76 PolarHBondContact O-N 2.97Å; I74-S77 CarbonylContact O-C 3.39Å; I74-S77 VanDerWaalsContact O-C 3.3Å; I74-S77 WeakPolarHBondContact O-CA 3.47Å; I74-S77 PolarHBondContact O-N 3.26Å; I74-S77 VanDerWaalsContact O-O 3.13Å; I74-F214 HydrophobicContact CD1-CE2 4.31Å; I74-F214 HydrophobicContact CD1-CZ 4.4Å
75	W	21.7	Very low	23.7	Very low	215 Å²	215	127.8 Å²	127.8	81%	0.814	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-62.6	-31.1	-176.1	-70.1	83.6	0	0	0	115.3	N73 S77	N73-W75 PolarHBondContact O-N 2.99Å; W75-S77 VanDerWaalsContact C-N 3.29Å
76	Q	25.4	Very low	23.6	Very low	134 Å²	134	132.2 Å²	132.2	63%	0.626	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-87.4	6.7	170.2	-78	-173.3	-48.7	0	0	113.2	I74 D174	I74-Q76 PolarHBondContact O-N 2.97Å; Q76-D174 PolarHBondContact NE2-OD2 3.12Å
77	S	24.1	Very low	23.5	Very low	44 Å²	44	133.3 Å²	133.3	31%	0.308	66%	0.656	S	S	.	*	S	Bend	trans	-128.9	80.1	180	-65.2	0	0	0	0	110.8	I74 W75	I74-S77 CarbonylContact O-C 3.39Å; I74-S77 VanDerWaalsContact O-C 3.3Å; I74-S77 WeakPolarHBondContact O-CA 3.47Å; I74-S77 PolarHBondContact O-N 3.26Å; I74-S77 VanDerWaalsContact O-O 3.13Å; W75-S77 VanDerWaalsContact C-N 3.29Å
78	Y	24.6	Very low	23.2	Very low	126 Å²	126	132 Å²	132	49%	0.494	66%	0.657	S	S	.	*			trans	73.6	83.1	170.7	-50.9	-77.8	0	0	0	116.3	T80 L199	Y78-T80 PolarHBondContact O-N 2.87Å; Y78-L199 HydrophobicContact CD1-CD1 4.33Å; Y78-L199 HydrophobicContact CE1-CD1 3.72Å
79	S	21.7	Very low	23.2	Very low	88 Å²	88	135.1 Å²	135.1	62%	0.615	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	40.3	163.2	46.8	0	0	0	0	113.9
80	T	22.7	Very low	23.2	Very low	115 Å²	115	133.5 Å²	133.5	71%	0.706	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-155	32.3	-179.2	-7.1	0	0	0	0	115.8	Y78 S82	Y78-T80 PolarHBondContact O-N 2.87Å; T80-S82 PolarHBondContact O-N 2.74Å
81	L	22	Very low	23.1	Very low	102 Å²	102	135.5 Å²	135.5	53%	0.534	68%	0.679	S	S	.	*			trans	-75.3	90.8	173.9	-74.4	171.1	0	0	0	112.7	F83	L81-F83 HydrophobicContact CB-CE2 3.97Å; L81-F83 HydrophobicContact CB-CZ 4.28Å
82	S	22.2	Very low	23.2	Very low	93 Å²	93	134.8 Å²	134.8	65%	0.65	69%	0.688	S	S	*	*			trans	-97.9	100.4	178.4	47.1	0	0	0	0	112.9	T80 L84	T80-S82 PolarHBondContact O-N 2.74Å; S82-L84 PolarHBondContact O-N 2.75Å; S82-L84 VanDerWaalsContact O-N 3.16Å
83	F	22	Very low	23.2	Very low	166 Å²	166	131.2 Å²	131.2	73%	0.728	68%	0.682	S	S	*	*			trans	-81.7	91.5	-176.9	-63.7	-82.3	0	0	0	113.3	L81 R85	L81-F83 HydrophobicContact CB-CE2 3.97Å; L81-F83 HydrophobicContact CB-CZ 4.28Å; F83-R85 PolarHBondContact O-N 3.34Å
84	L	22	Very low	23.2	Very low	133 Å²	133	137.1 Å²	137.1	70%	0.696	70%	0.698	S	S	*	*			trans	-67.2	106.9	171.1	-92.7	159.4	0	0	0	111.9	S82 F86	S82-L84 PolarHBondContact O-N 2.75Å; S82-L84 VanDerWaalsContact O-N 3.16Å; L84-F86 HydrophobicContact CB-CE2 3.95Å; L84-F86 HydrophobicContact CB-CZ 4.29Å; L84-F86 HydrophobicContact CD2-CZ 4.49Å
85	R	21	Very low	23.1	Very low	238 Å²	238	140.2 Å²	140.2	90%	0.898	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-87.4	127.2	169.6	-82.6	-177	167.3	180	-3.2	110.8	F83	F83-R85 PolarHBondContact O-N 3.34Å
86	F	23.4	Very low	23.2	Very low	180 Å²	180	141 Å²	141	79%	0.789	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-99.6	147.7	175.2	-67.9	-84.5	0	0	0	112.5	L84	L84-F86 HydrophobicContact CB-CE2 3.95Å; L84-F86 HydrophobicContact CB-CZ 4.29Å; L84-F86 HydrophobicContact CD2-CZ 4.49Å
87	R	22.3	Very low	23	Very low	214 Å²	214	140.7 Å²	140.7	81%	0.808	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-88.7	120.7	-178.4	174.3	-176.8	177	-173.4	-0.7	110.2	V89	R87-V89 HydrophobicContact CG-CG2 4.44Å
88	C	22	Very low	22.9	Very low	128 Å²	128	144.4 Å²	144.4	87%	0.865	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-82.6	146	166.7	-158.1	0	0	0	0	110
89	V	24.1	Very low	22.7	Very low	122 Å²	122	148 Å²	148	74%	0.739	75%	0.745	S	S	*	*			trans	-119.8	90.1	-171.3	-178	0	0	0	0	110.4	R87	R87-V89 HydrophobicContact CG-CG2 4.44Å
90	A	24.1	Very low	22.8	Very low	92 Å²	92	148.9 Å²	148.9	76%	0.76	75%	0.746	S	S	*	*			trans	-166.2	155.1	165.9	0	0	0	0	0	110.7
91	A	23.5	Very low	22.7	Very low	101 Å²	101	149 Å²	149	84%	0.835	75%	0.747	S	S	*	*	S	Bend	trans	66.5	138.2	171.1	0	0	0	0	0	117.9
92	D	26	Very low	22.7	Very low	161 Å²	161	154.8 Å²	154.8	86%	0.861	76%	0.762	S	S	*	*			trans	-68	148.4	-169.5	-54.8	-68.1	0	0	0	115.3
93	D	24.1	Very low	22.7	Very low	118 Å²	118	157 Å²	157	63%	0.631	77%	0.766	S	S	*	*			trans	37	123	144.7	-104	23.4	0	0	0	121.4
94	R	24.6	Very low	22.7	Very low	211 Å²	211	157.1 Å²	157.1	80%	0.796	77%	0.773	S	S	*	*			trans	74.1	82	150.1	-51.7	162.8	-153.4	-155.7	3.2	117.6
95	E	21.7	Very low	22.8	Very low	164 Å²	164	154.5 Å²	154.5	77%	0.766	78%	0.778	S	S	*	*				179.2	101.3	99.1	-96.2	-179	-172.3	0	0	111.7	L97	E95-L97 PolarHBondContact O-N 3.4Å; E95-L97 VanDerWaalsContact O-N 3.12Å
96	W	24.1	Very low	22.7	Very low	230 Å²	230	147.7 Å²	147.7	87%	0.871	76%	0.763	S	S	*	*			trans	-84.8	79.9	172.5	-75.7	83.8	0	0	0	110.5	I98	W96-I98 HydrophobicContact CB-CG1 4.43Å; W96-I98 PolarHBondContact O-N 3.25Å
97	L	21.2	Very low	22.7	Very low	128 Å²	128	149.9 Å²	149.9	67%	0.67	77%	0.768	S	S	*	*			trans	-69.5	80.9	169.1	-89.7	165.6	0	0	0	110.6	E95 Y99	E95-L97 PolarHBondContact O-N 3.4Å; E95-L97 VanDerWaalsContact O-N 3.12Å; L97-Y99 VanDerWaalsContact C-N 3.3Å; L97-Y99 HydrophobicContact CD2-CE2 4.45Å; L97-Y99 PolarHBondContact O-N 3.26Å
98	I	22.1	Very low	22.6	Very low	122 Å²	122	144.1 Å²	144.1	63%	0.626	77%	0.766	S	S	*	*			trans	-71.6	86.2	175.4	-59.5	177.4	0	0	0	109.1	W96 T100	W96-I98 HydrophobicContact CB-CG1 4.43Å; W96-I98 PolarHBondContact O-N 3.25Å; I98-T100 HydrophobicContact CG2-CG2 3.88Å; I98-T100 PolarHBondContact O-N 3.33Å
99	Y	20.2	Very low	22.6	Very low	203 Å²	203	142.1 Å²	142.1	80%	0.796	75%	0.753	S	S	*	*			trans	-71.5	75.8	158.5	-84	-88.9	0	0	0	109.5	L97 T101	L97-Y99 VanDerWaalsContact C-N 3.3Å; L97-Y99 HydrophobicContact CD2-CE2 4.45Å; L97-Y99 PolarHBondContact O-N 3.26Å; Y99-T101 PolarHBondContact O-N 2.94Å
100	T	22.7	Very low	22.7	Very low	105 Å²	105	142.4 Å²	142.4	64%	0.644	76%	0.761	S	S	*	*			trans	-65.9	122.4	152.3	35.4	0	0	0	0	107.5	I98 R102	I98-T100 HydrophobicContact CG2-CG2 3.88Å; I98-T100 PolarHBondContact O-N 3.33Å; T100-R102 PolarHBondContact O-N 3.15Å
101	T	22.1	Very low	22.6	Very low	118 Å²	118	142.8 Å²	142.8	72%	0.724	76%	0.758	S	S	*	*			trans	-68.9	91.8	-179.4	40.2	0	0	0	0	110.5	Y99 L103	Y99-T101 PolarHBondContact O-N 2.94Å; T101-L103 PolarHBondContact O-N 3.24Å
102	R	20.5	Very low	22.7	Very low	223 Å²	223	144.4 Å²	144.4	84%	0.842	75%	0.746	S	S	*	*			trans	-65.1	36.7	167	-84.8	-174.3	163.8	-170.2	-3.8	113.4	T100	T100-R102 PolarHBondContact O-N 3.15Å
103	L	22.2	Very low	22.7	Very low	141 Å²	141	143.8 Å²	143.8	74%	0.738	75%	0.748	S	S	*	*			trans	-101.8	17.7	174.7	-82.1	162.4	0	0	0	112.2	T101	T101-L103 PolarHBondContact O-N 3.24Å
104	L	23.5	Very low	22.7	Very low	167 Å²	167	145 Å²	145	87%	0.874	75%	0.753	S	S	*	*	S	Bend	trans	-77.4	115.3	156	-85.1	166.2	0	0	0	109.1	T106	L104-T106 VanDerWaalsContact C-N 3.33Å; L104-T106 PolarHBondContact O-N 2.94Å; L104-T106 VanDerWaalsContact O-N 3.17Å
105	G	22.9	Very low	22.7	Very low	78 Å²	78	140.8 Å²	140.8	80%	0.804	75%	0.746	S	S	*	*	S	Bend	trans	74.3	5.2	158.1	0	0	0	0	0	117.9	Y107	G105-Y107 PolarHBondContact O-N 3.42Å
106	T	20.2	Very low	23.1	Very low	95 Å²	95	139.4 Å²	139.4	58%	0.583	75%	0.748	S	S	*	*			trans	-61.7	106.7	160.5	48	0	0	0	0	108	L104 A108	L104-T106 VanDerWaalsContact C-N 3.33Å; L104-T106 PolarHBondContact O-N 2.94Å; L104-T106 VanDerWaalsContact O-N 3.17Å; T106-A108 PolarHBondContact O-N 3.36Å
107	Y	21.9	Very low	23.3	Very low	227 Å²	227	139.1 Å²	139.1	89%	0.89	75%	0.747	S	S	*	*			trans	-40.4	103.8	-175.2	-146.1	-97.8	0	0	0	110.7	G105 S109	G105-Y107 PolarHBondContact O-N 3.42Å; Y107-S109 PolarHBondContact O-N 3.08Å
108	A	21.7	Very low	23.4	Very low	93 Å²	93	137.8 Å²	137.8	77%	0.769	76%	0.755	S	S	*	*			trans	-74.5	76.6	-178.4	0	0	0	0	0	108.7	T106 S110	T106-A108 PolarHBondContact O-N 3.36Å; A108-S110 PolarHBondContact O-N 3.35Å
109	S	21.7	Very low	23.5	Very low	86 Å²	86	143 Å²	143	60%	0.601	77%	0.766	S	S	*	*			trans	-46	134	173.3	57.7	0	0	0	0	108.8	Y107 S111	Y107-S109 PolarHBondContact O-N 3.08Å; S109-S111 WeakPolarHBondContact O-CA 3.46Å; S109-S111 VanDerWaalsContact O-CB 3.28Å; S109-S111 WeakPolarHBondContact O-CB 3Å; S109-S111 PolarHBondContact O-N 2.89Å; S109-S111 PolarHBondContact O-OG 3.1Å
110	S	25	Very low	23.8	Very low	128 Å²	128	139.4 Å²	139.4	90%	0.895	77%	0.766	S	S	*	*			trans	-63.9	72.3	-159.5	40.1	0	0	0	0	113.9	A108 K112	A108-S110 PolarHBondContact O-N 3.35Å; S110-K112 PolarHBondContact O-N 2.98Å; S110-K112 VanDerWaalsContact O-N 3.15Å
111	S	22.8	Very low	23.9	Very low	99 Å²	99	140.1 Å²	140.1	69%	0.692	78%	0.775	S	S	*	*			trans	-95.2	75.4	-166.9	37	0	0	0	0	109.6	S109	S109-S111 WeakPolarHBondContact O-CA 3.46Å; S109-S111 VanDerWaalsContact O-CB 3.28Å; S109-S111 WeakPolarHBondContact O-CB 3Å; S109-S111 PolarHBondContact O-N 2.89Å; S109-S111 PolarHBondContact O-OG 3.1Å
112	K	24.7	Very low	24	Very low	136 Å²	136	141.7 Å²	141.7	59%	0.591	78%	0.779	S	S	*	*			trans	30.9	108	152.3	-63.8	-176.1	175	-173.5	0	116	S110 I114 V129	S110-K112 PolarHBondContact O-N 2.98Å; S110-K112 VanDerWaalsContact O-N 3.15Å; K112-I114 PolarHBondContact O-N 3.35Å; K112-I114 VanDerWaalsContact O-N 3.15Å; K112-V129 VanDerWaalsContact NZ-CG2 3.33Å
113	V	26.8	Very low	24.5	Very low	148 Å²	148	137.9 Å²	137.9	90%	0.897	78%	0.781	S	S	*	*			trans	-37.1	118.8	166.3	-179.9	0	0	0	0	110.9	D115	V113-D115 PolarHBondContact O-N 2.85Å
114	I	23.5	Very low	24.8	Very low	144 Å²	144	136.2 Å²	136.2	74%	0.738	78%	0.778	S	S	*	*			trans	-83	102.7	177.4	-59.6	173.3	0	0	0	107.4	K112 V116	K112-I114 PolarHBondContact O-N 3.35Å; K112-I114 VanDerWaalsContact O-N 3.15Å; I114-V116 VanDerWaalsContact O-CG2 3.31Å; I114-V116 WeakPolarHBondContact O-CG2 3.36Å; I114-V116 PolarHBondContact O-N 3.48Å
115	D	25.9	Very low	24.8	Very low	122 Å²	122	137.7 Å²	137.7	65%	0.652	78%	0.778	S	S	*	*			trans	-71.5	115.7	170.4	-173.6	-5.7	0	0	0	109.7	V113 R117	V113-D115 PolarHBondContact O-N 2.85Å; D115-R117 PolarHBondContact O-N 2.78Å
116	V	29.1	Very low	24.9	Very low	135 Å²	135	141.8 Å²	141.8	82%	0.818	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	36.9	-163.6	-158.2	0	0	0	0	112.3	I114	I114-V116 VanDerWaalsContact O-CG2 3.31Å; I114-V116 WeakPolarHBondContact O-CG2 3.36Å; I114-V116 PolarHBondContact O-N 3.48Å
117	R	28.3	Very low	25	Very low	224 Å²	224	146.3 Å²	146.3	85%	0.845	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.3	-6.5	-178.7	-63.4	-169.5	178.7	-162.3	1	115.1	D115 R119	D115-R117 PolarHBondContact O-N 2.78Å; R117-R119 PolarHBondContact O-N 2.86Å
118	A	23.6	Very low	25.2	Very low	100 Å²	100	142.9 Å²	142.9	83%	0.826	79%	0.789	S	S	*	*			trans	-76.5	83.1	177.6	0	0	0	0	0	112.8
119	R	23.5	Very low	25.3	Very low	230 Å²	230	143.4 Å²	143.4	87%	0.868	78%	0.783	S	S	*	*			trans	-76.4	124.6	164.2	-90.2	-171.1	175	-178	-0.7	110.9	R117	R117-R119 PolarHBondContact O-N 2.86Å
120	T	26.3	Very low	25.4	Very low	129 Å²	129	146.7 Å²	146.7	79%	0.791	79%	0.793	S	S	*	*			trans	50.7	84.4	148.8	58.2	0	0	0	0	118.2
121	S	25.4	Very low	25.4	Very low	119 Å²	119	144.8 Å²	144.8	83%	0.832	79%	0.785	S	S	*	*				-161.5	145.1	120.3	48.8	0	0	0	0	112.4
122	D	24.3	Very low	25.5	Very low	152 Å²	152	147.1 Å²	147.1	81%	0.813	80%	0.795	S	S	*	*			trans	-20.7	141.4	-179.1	-51.3	-47.4	0	0	0	120.1	P124	D122-P124 WeakPolarHBondContact O-CD 3.4Å
123	T	31.3	Very low	25.5	Very low	143 Å²	143	148.8 Å²	148.8	88%	0.877	81%	0.805	S	S	*	*			trans	-60.8	135	177.3	47.3	0	0	0	0	113.3
124	P	28.5	Very low	25.6	Very low	106 Å²	106	149 Å²	149	69%	0.688	81%	0.806	S	S	*	*				-147.2	137.2	127	33.3	-16.3	0	0	0	116.6	D122	D122-P124 WeakPolarHBondContact O-CD 3.4Å
125	K	23.9	Very low	25.6	Very low	198 Å²	198	144.7 Å²	144.7	86%	0.861	80%	0.797	S	S	*	*			trans	58.8	107.8	139.4	-62.5	175.6	-179	175.8	0	118.5	K127	K125-K127 PolarHBondContact O-N 3.45Å
126	L	23.8	Very low	25.6	Very low	164 Å²	164	147.4 Å²	147.4	86%	0.859	81%	0.806	S	S	*	*			trans	-48.5	135.1	163.7	-61.5	94.1	0	0	0	112
127	K	23.2	Very low	25.3	Very low	190 Å²	190	149 Å²	149	83%	0.826	81%	0.805	S	S	*	*			trans	-129.5	139.6	159.3	-85.8	-172.3	170.9	-176.6	0	110.1	K125	K125-K127 PolarHBondContact O-N 3.45Å
128	N	25.2	Very low	25.3	Very low	155 Å²	155	143.5 Å²	143.5	83%	0.829	80%	0.796	S	S	*	*			trans	28.4	85.1	164.7	-61.3	11.2	0	0	0	116.7
129	V	25.3	Very low	25.4	Very low	104 Å²	104	143.8 Å²	143.8	63%	0.63	78%	0.783	S	S	*	*			trans	-92.5	91	151.4	-178.2	0	0	0	0	106.8	K112	K112-V129 VanDerWaalsContact NZ-CG2 3.33Å
130	N	23.2	Very low	25.6	Very low	154 Å²	154	138.2 Å²	138.2	82%	0.824	77%	0.771	S	S	*	*			trans	-165	150.6	168.2	-95.9	-22	0	0	0	107.3
131	A	24.4	Very low	25.8	Very low	88 Å²	88	140.9 Å²	140.9	73%	0.727	77%	0.772	S	S	*	*			trans	62.9	59.8	-175.7	0	0	0	0	0	115.8
132	V	24.5	Very low	25.9	Very low	149 Å²	149	137.5 Å²	137.5	90%	0.903	76%	0.755	S	S	*	*			trans	-123.6	85	132.9	-177.1	0	0	0	0	105.9
133	E	26.5	Very low	26.1	Very low	170 Å²	170	135.2 Å²	135.2	79%	0.794	75%	0.751	S	S	*	*			trans	-68.4	165.2	169.9	-70.6	178.5	112.4	0	0	109.9	G135	E133-G135 PolarHBondContact O-N 3.28Å
134	V	27.9	Very low	26.2	Very low	152 Å²	152	136.7 Å²	136.7	92%	0.921	75%	0.754	S	S	*	*	S	Bend	trans	-75	29.2	-178.6	-175.7	0	0	0	0	111.4	Q136	V134-Q136 PolarHBondContact O-N 3.38Å
135	G	24.3	Very low	26.4	Very low	54 Å²	54	135.5 Å²	135.5	56%	0.557	75%	0.748	S	S	*	*			trans	-89.9	55.1	-179	0	0	0	0	0	113.5	E133	E133-G135 PolarHBondContact O-N 3.28Å
136	Q	24.2	Very low	27.1	Very low	180 Å²	180	135.6 Å²	135.6	84%	0.841	75%	0.748	S	S	*	*			trans	-108.1	83.7	142.2	-70.4	-173.6	-47.6	0	0	104.4	V134 V138	V134-Q136 PolarHBondContact O-N 3.38Å; Q136-V138 VanDerWaalsContact C-N 3.27Å
137	E	24.2	Very low	27.5	Very low	168 Å²	168	135 Å²	135	79%	0.785	75%	0.746	S	S	*	*				29.3	70.6	66.5	-71.6	-147.9	133.2	0	0	110.7	D139	E137-D139 PolarHBondContact O-N 2.91Å
138	V	27.8	Very low	27.9	Very low	109 Å²	109	135.4 Å²	135.4	66%	0.661	75%	0.748	S	S	*	*			trans	-69.8	78.6	157.9	-178.8	0	0	0	0	106.5	Q136 D140	Q136-V138 VanDerWaalsContact C-N 3.27Å; V138-D140 HydrophobicContact CG1-CB 4.38Å; V138-D140 PolarHBondContact O-N 3.32Å
139	D	24.8	Very low	28.4	Very low	105 Å²	105	130.5 Å²	130.5	56%	0.561	73%	0.726	S	S	*	*			trans	-75	61	-179.3	-165.9	28.3	0	0	0	110.4	E137 K141	E137-D139 PolarHBondContact O-N 2.91Å; D139-K141 PolarHBondContact O-N 3.44Å; D139-K141 WeakPolarHBondContact OD1-CD 3.47Å; D139-K141 IonicContact OD1-NZ 3.61Å; D139-K141 PolarHBondContact OD1-NZ 2.9Å
140	D	28.2	Very low	28.7	Very low	113 Å²	113	130 Å²	130	60%	0.604	73%	0.727	S	S	*	*			trans	-69.8	40.4	174.8	-92.6	-16.7	0	0	0	111.3	V138 G142 R156	V138-D140 HydrophobicContact CG1-CB 4.38Å; V138-D140 PolarHBondContact O-N 3.32Å; D140-G142 PolarHBondContact O-N 2.86Å; D140-R156 IonicContact OD2-NH2 2.63Å; D140-R156 PolarHBondContact OD2-NH2 2.91Å
141	K	31.7	Very low	29	Very low	186 Å²	186	125.6 Å²	125.6	81%	0.809	71%	0.708	S	S	*	*			trans	-73.2	50.7	162.9	-76	179.8	-171.1	133.3	0	110.8	D139	D139-K141 PolarHBondContact O-N 3.44Å; D139-K141 WeakPolarHBondContact OD1-CD 3.47Å; D139-K141 IonicContact OD1-NZ 3.61Å; D139-K141 PolarHBondContact OD1-NZ 2.9Å
142	G	27.6	Very low	29.1	Very low	48 Å²	48	123.2 Å²	123.2	50%	0.495	69%	0.693	S	S	.	*	S	Bend	trans	-144.6	71.6	-165.4	0	0	0	0	0	113.2	D140	D140-G142 PolarHBondContact O-N 2.86Å
143	S	28	Very low	29.4	Very low	103 Å²	103	122 Å²	122	72%	0.72	68%	0.68	S	S	*	*			trans	51.7	89.4	168	52.2	0	0	0	0	115.9	S145	S143-S145 PolarHBondContact O-N 3.24Å
144	D	33	Very low	29.6	Very low	175 Å²	175	117.2 Å²	117.2	94%	0.936	66%	0.66	S	S	*	*			trans	-71.3	46.2	174.4	-161	12.9	0	0	0	112.8
145	S	31.7	Very low	29.9	Very low	81 Å²	81	114.3 Å²	114.3	57%	0.566	64%	0.639	S	S	*	*			trans	-150.7	69.9	-160.7	58.7	0	0	0	0	114.7	S143	S143-S145 PolarHBondContact O-N 3.24Å
146	K	39.1	Very low	30.4	Very low	199 Å²	199	119.5 Å²	119.5	87%	0.865	64%	0.642	S	S	*	*	S	Bend		-179.6	-18.5	112.7	-97	162.1	-175.3	-180	0	116.9	K148	K146-K148 PolarHBondContact O-N 3.01Å
147	D	32.5	Very low	30.9	Very low	153 Å²	153	114.1 Å²	114.1	82%	0.818	62%	0.624	S	S	*	*			trans	-77	64.6	-179.9	-90.8	-51.8	0	0	0	113.6	S149	D147-S149 PolarHBondContact O-N 2.91Å; D147-S149 VanDerWaalsContact O-N 3.11Å
148	K	32.5	Very low	31.3	Very low	197 Å²	197	109.6 Å²	109.6	86%	0.857	60%	0.604	S	S	*	*			trans	-78.2	32.4	166.7	-67.5	-168.1	173.3	-171.9	0	112.3	K146	K146-K148 PolarHBondContact O-N 3.01Å
149	S	33.9	Very low	31.6	Very low	52 Å²	52	112.3 Å²	112.3	36%	0.364	60%	0.602	S	S	.	*			trans	-72.5	128.2	170	57.5	0	0	0	0	108.8	D147 S151 G152	D147-S149 PolarHBondContact O-N 2.91Å; D147-S149 VanDerWaalsContact O-N 3.11Å; S149-S151 PolarHBondContact O-N 3.12Å; S149-S151 VanDerWaalsContact O-N 3.14Å; S149-G152 PolarHBondContact O-N 2.88Å
150	S	32.7	Very low	32.2	Very low	94 Å²	94	115.5 Å²	115.5	66%	0.657	61%	0.607	S	S	*	*	H	α-helix	trans	-59.9	-27.5	-175.5	47.7	0	0	0	0	112.8	G152 L153 L154	S150-G152 VanDerWaalsContact C-N 3.31Å; S150-G152 PolarHBondContact O-N 3.15Å; S150-L153 PolarHBondContact O-N 2.83Å; S150-L154 WeakPolarHBondContact O-CB 3.47Å; S150-L154 PolarHBondContact O-N 2.81Å
151	S	28.5	Very low	32.4	Very low	61 Å²	61	113.9 Å²	113.9	43%	0.427	60%	0.598	S	S	.	*	H	α-helix	trans	-61.8	-30.9	174.3	53	0	0	0	0	114.1	S149 N155	S149-S151 PolarHBondContact O-N 3.12Å; S149-S151 VanDerWaalsContact O-N 3.14Å; S151-N155 WeakPolarHBondContact O-CB 3.47Å; S151-N155 PolarHBondContact O-N 2.59Å; S151-N155 PolarHBondContact O-ND2 3.29Å
152	G	28	Very low	32.4	Very low	39 Å²	39	107.8 Å²	107.8	40%	0.402	58%	0.582	S	S	.	*	H	α-helix	trans	-69.4	-45.8	177.8	0	0	0	0	0	112.3	S149 S150 R156	S149-G152 PolarHBondContact O-N 2.88Å; S150-G152 VanDerWaalsContact C-N 3.31Å; S150-G152 PolarHBondContact O-N 3.15Å; G152-R156 PolarHBondContact O-N 2.71Å; G152-R156 VanDerWaalsContact O-N 3.16Å
153	L	30.9	Very low	32.7	Very low	123 Å²	123	111.4 Å²	111.4	64%	0.644	59%	0.586	S	S	*	*	H	α-helix	trans	-66.5	-42.1	173.5	-80	163.9	0	0	0	111.7	S150 N155 R156 S157	S150-L153 PolarHBondContact O-N 2.83Å; L153-N155 VanDerWaalsContact C-N 3.35Å; L153-N155 PolarHBondContact O-N 3.35Å; L153-R156 PolarHBondContact O-N 2.95Å; L153-S157 PolarHBondContact O-N 3.12Å; L153-S157 PolarHBondContact O-OG 3.21Å
154	L	29.2	Very low	32.8	Very low	70 Å²	70	113.3 Å²	113.3	37%	0.366	58%	0.578	S	S	.	*	H	α-helix	trans	-55.9	-48.4	175.5	-172.5	71.2	0	0	0	111.2	S150 R156 S157 M158	S150-L154 WeakPolarHBondContact O-CB 3.47Å; S150-L154 PolarHBondContact O-N 2.81Å; L154-R156 PolarHBondContact O-N 2.8Å; L154-S157 PolarHBondContact O-N 3.07Å; L154-M158 HydrophobicContact CD1-CG 4.25Å; L154-M158 HydrophobicContact CG-CG 4.25Å; L154-M158 WeakPolarHBondContact O-CB 3.31Å; L154-M158 VanDerWaalsContact O-CG 3.28Å; L154-M158 WeakPolarHBondContact O-CG 3.46Å; L154-M158 PolarHBondContact O-N 3.18Å
155	N	35.4	Very low	32.6	Very low	90 Å²	90	109.3 Å²	109.3	48%	0.481	56%	0.556	S	S	.	*	H	α-helix	trans	-63.5	-39.4	178.1	-89	-84.8	0	0	0	113.3	S151 L153 R159	S151-N155 WeakPolarHBondContact O-CB 3.47Å; S151-N155 PolarHBondContact O-N 2.59Å; S151-N155 PolarHBondContact O-ND2 3.29Å; L153-N155 VanDerWaalsContact C-N 3.35Å; L153-N155 PolarHBondContact O-N 3.35Å; N155-R159 WeakPolarHBondContact O-CB 3.08Å; N155-R159 PolarHBondContact O-N 2.6Å; N155-R159 VanDerWaalsContact O-N 3.12Å
156	R	35	Very low	32.4	Very low	164 Å²	164	108.5 Å²	108.5	62%	0.619	55%	0.554	S	S	*	*	H	α-helix	trans	-62.3	-48.5	174.2	-108.6	-180	178.1	167.2	0.7	110.3	D140 G152 L153 L154 Y160	D140-R156 IonicContact OD2-NH2 2.63Å; D140-R156 PolarHBondContact OD2-NH2 2.91Å; G152-R156 PolarHBondContact O-N 2.71Å; G152-R156 VanDerWaalsContact O-N 3.16Å; L153-R156 PolarHBondContact O-N 2.95Å; L154-R156 PolarHBondContact O-N 2.8Å; R156-Y160 PolarHBondContact O-N 2.91Å
157	S	34.5	Very low	31.8	Very low	66 Å²	66	102.9 Å²	102.9	46%	0.462	54%	0.54	S	S	.	.	H	α-helix	trans	-67.3	-44.2	-178.8	-63	0	0	0	0	113.8	L153 L154 R159 Y160 I161	L153-S157 PolarHBondContact O-N 3.12Å; L153-S157 PolarHBondContact O-OG 3.21Å; L154-S157 PolarHBondContact O-N 3.07Å; S157-R159 VanDerWaalsContact C-N 3.34Å; S157-R159 PolarHBondContact O-N 2.82Å; S157-Y160 WeakPolarHBondContact O-CB 3.29Å; S157-Y160 PolarHBondContact O-N 3.15Å; S157-Y160 VanDerWaalsContact O-N 3.17Å; S157-I161 WeakPolarHBondContact O-CG1 3.46Å; S157-I161 PolarHBondContact O-N 3.05Å
158	M	32.8	Very low	31.4	Very low	73 Å²	73	97.8 Å²	97.8	36%	0.36	52%	0.516	S	S	.	.	H	α-helix	trans	-64.5	-38.9	177.9	-70.6	-66.6	-80.1	0	0	111.6	L154 Y160 I161 A162	L154-M158 HydrophobicContact CD1-CG 4.25Å; L154-M158 HydrophobicContact CG-CG 4.25Å; L154-M158 WeakPolarHBondContact O-CB 3.31Å; L154-M158 VanDerWaalsContact O-CG 3.28Å; L154-M158 WeakPolarHBondContact O-CG 3.46Å; L154-M158 PolarHBondContact O-N 3.18Å; M158-Y160 VanDerWaalsContact C-N 3.33Å; M158-Y160 PolarHBondContact O-N 2.8Å; M158-I161 PolarHBondContact O-N 3Å; M158-A162 WeakPolarHBondContact O-CB 3.49Å; M158-A162 PolarHBondContact O-N 3.33Å
159	R	34.7	Very low	31.1	Very low	166 Å²	166	92.9 Å²	92.9	63%	0.626	50%	0.504	S	S	*	.	H	α-helix	trans	-64.3	-37.5	172.9	-170.5	175.7	-65.2	172.2	0.9	112	N155 S157 A162 Q163	N155-R159 WeakPolarHBondContact O-CB 3.08Å; N155-R159 PolarHBondContact O-N 2.6Å; N155-R159 VanDerWaalsContact O-N 3.12Å; S157-R159 VanDerWaalsContact C-N 3.34Å; S157-R159 PolarHBondContact O-N 2.82Å; R159-A162 PolarHBondContact O-N 3.28Å; R159-Q163 WeakPolarHBondContact O-CB 3.44Å; R159-Q163 VanDerWaalsContact O-CG 3.32Å; R159-Q163 WeakPolarHBondContact O-CG 3.24Å; R159-Q163 PolarHBondContact O-N 3.5Å
160	Y	35.7	Very low	30.8	Very low	172 Å²	172	95.5 Å²	95.5	68%	0.675	52%	0.52	S	S	*	.	H	α-helix	trans	-65.5	-44.6	175.3	-143.8	-81.6	0	0	0	112	R156 S157 M158 Q163 W164	R156-Y160 PolarHBondContact O-N 2.91Å; S157-Y160 WeakPolarHBondContact O-CB 3.29Å; S157-Y160 PolarHBondContact O-N 3.15Å; S157-Y160 VanDerWaalsContact O-N 3.17Å; M158-Y160 VanDerWaalsContact C-N 3.33Å; M158-Y160 PolarHBondContact O-N 2.8Å; Y160-Q163 PolarHBondContact O-N 2.83Å; Y160-W164 WeakPolarHBondContact O-CB 3.35Å; Y160-W164 PolarHBondContact O-N 2.94Å
161	I	33.2	Very low	30.5	Very low	79 Å²	79	94.7 Å²	94.7	41%	0.405	51%	0.509	S	S	.	.	H	α-helix	trans	-62.7	-43.8	175.7	-68.2	167.2	0	0	0	110.6	S157 M158 Q163 W164 L165	S157-I161 WeakPolarHBondContact O-CG1 3.46Å; S157-I161 PolarHBondContact O-N 3.05Å; M158-I161 PolarHBondContact O-N 3Å; I161-Q163 PolarHBondContact O-N 3.4Å; I161-W164 PolarHBondContact O-N 2.91Å; I161-L165 HydrophobicContact CG2-CD1 3.86Å; I161-L165 HydrophobicContact CG2-CG 4.29Å; I161-L165 WeakPolarHBondContact O-CB 3.44Å; I161-L165 VanDerWaalsContact O-CG 3.31Å; I161-L165 WeakPolarHBondContact O-CG 3.33Å; I161-L165 PolarHBondContact O-N 3.33Å
162	A	31.4	Very low	30.4	Very low	58 Å²	58	97.5 Å²	97.5	48%	0.479	53%	0.527	S	S	.	.	H	α-helix	trans	-61.8	-42.1	176.4	0	0	0	0	0	112.5	M158 R159 A166	M158-A162 WeakPolarHBondContact O-CB 3.49Å; M158-A162 PolarHBondContact O-N 3.33Å; R159-A162 PolarHBondContact O-N 3.28Å; A162-A166 VanDerWaalsContact O-CB 3.28Å; A162-A166 WeakPolarHBondContact O-CB 3.48Å; A162-A166 PolarHBondContact O-N 2.67Å
163	Q	33.7	Very low	30.3	Very low	124 Å²	124	103.2 Å²	103.2	58%	0.579	54%	0.537	S	S	*	.	H	α-helix	trans	-64.4	-38.5	174.3	-75.9	174.9	-33.2	0	0	112.5	R159 Y160 I161 A166 S167	R159-Q163 WeakPolarHBondContact O-CB 3.44Å; R159-Q163 VanDerWaalsContact O-CG 3.32Å; R159-Q163 WeakPolarHBondContact O-CG 3.24Å; R159-Q163 PolarHBondContact O-N 3.5Å; Y160-Q163 PolarHBondContact O-N 2.83Å; I161-Q163 PolarHBondContact O-N 3.4Å; Q163-A166 PolarHBondContact O-N 2.89Å; Q163-S167 PolarHBondContact O-N 3.01Å
164	W	30.2	Very low	30.2	Very low	143 Å²	143	100.4 Å²	100.4	54%	0.542	52%	0.523	S	S	.	.	H	α-helix	trans	-72.2	-41.8	-180	-164.8	58.5	0	0	0	112.4	Y160 I161 A166 S167 S168 N270	Y160-W164 WeakPolarHBondContact O-CB 3.35Å; Y160-W164 PolarHBondContact O-N 2.94Å; I161-W164 PolarHBondContact O-N 2.91Å; W164-A166 VanDerWaalsContact C-N 3.32Å; W164-A166 PolarHBondContact O-N 2.97Å; W164-S167 PolarHBondContact O-N 2.92Å; W164-S167 PolarHBondContact O-OG 2.93Å; W164-S168 PolarHBondContact O-N 3.39Å; W164-S168 PolarHBondContact O-OG 2.9Å; W164-N270 WeakPolarHBondContact CH2-OD1 3.47Å; W164-N270 VanDerWaalsContact CZ3-OD1 3.28Å; W164-N270 WeakPolarHBondContact CZ3-OD1 3.23Å
165	L	29	Very low	30.1	Very low	91 Å²	91	103.3 Å²	103.3	48%	0.476	54%	0.535	S	S	.	.	H	α-helix	trans	-59.1	-42.8	169.9	-71.2	170.6	0	0	0	111.2	I161 S167 S168	I161-L165 HydrophobicContact CG2-CD1 3.86Å; I161-L165 HydrophobicContact CG2-CG 4.29Å; I161-L165 WeakPolarHBondContact O-CB 3.44Å; I161-L165 VanDerWaalsContact O-CG 3.31Å; I161-L165 WeakPolarHBondContact O-CG 3.33Å; I161-L165 PolarHBondContact O-N 3.33Å; L165-S167 PolarHBondContact O-N 2.97Å; L165-S167 VanDerWaalsContact O-N 3.08Å; L165-S168 PolarHBondContact O-N 2.92Å; L165-S168 VanDerWaalsContact O-N 3.16Å
166	A	27.9	Very low	29.8	Very low	65 Å²	65	102.1 Å²	102.1	54%	0.537	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-1.2	174.9	0	0	0	0	0	114.7	A162 Q163 W164	A162-A166 VanDerWaalsContact O-CB 3.28Å; A162-A166 WeakPolarHBondContact O-CB 3.48Å; A162-A166 PolarHBondContact O-N 2.67Å; Q163-A166 PolarHBondContact O-N 2.89Å; W164-A166 VanDerWaalsContact C-N 3.32Å; W164-A166 PolarHBondContact O-N 2.97Å
167	S	26.7	Very low	29.6	Very low	80 Å²	80	97.6 Å²	97.6	56%	0.559	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-4.1	174.1	72.1	0	0	0	0	114.2	Q163 W164 L165	Q163-S167 PolarHBondContact O-N 3.01Å; W164-S167 PolarHBondContact O-N 2.92Å; W164-S167 PolarHBondContact O-OG 2.93Å; L165-S167 PolarHBondContact O-N 2.97Å; L165-S167 VanDerWaalsContact O-N 3.08Å
168	S	24.2	Very low	29.4	Very low	46 Å²	46	100.2 Å²	100.2	32%	0.322	52%	0.522	S	S	.	.	S	Bend	trans	-93.3	124.7	-177	-63	0	0	0	0	111.7	W164 L165	W164-S168 PolarHBondContact O-N 3.39Å; W164-S168 PolarHBondContact O-OG 2.9Å; L165-S168 PolarHBondContact O-N 2.92Å; L165-S168 VanDerWaalsContact O-N 3.16Å
169	P	26	Very low	29.4	Very low	94 Å²	94	101.4 Å²	101.4	61%	0.61	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-66	141.9	177.3	-21.9	33.8	0	0	0	112.9
170	P	26.3	Very low	29.1	Very low	107 Å²	107	99.9 Å²	99.9	70%	0.695	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-69.7	131.5	175.1	28.5	-33.6	0	0	0	111.2
171	N	27.6	Very low	28.8	Very low	77 Å²	77	94 Å²	94	41%	0.412	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-98.5	139.3	-178.7	-77.8	-54.8	0	0	0	111.7	Y173 Q268	N171-Y173 HydrophobicContact CB-CD2 4.28Å; N171-Y173 PolarHBondContact O-N 2.97Å; N171-Q268 PolarHBondContact ND2-OE1 3.1Å; N171-Q268 VanDerWaalsContact ND2-OE1 3.14Å
172	C	26	Very low	28.5	Very low	121 Å²	121	93.6 Å²	93.6	82%	0.818	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	28.6	-174.2	60.4	0	0	0	0	116.1
173	Y	26.1	Very low	28.4	Very low	158 Å²	158	98.4 Å²	98.4	62%	0.62	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-15.2	-178.3	-81.5	-74.6	0	0	0	114.2	N171 E175	N171-Y173 HydrophobicContact CB-CD2 4.28Å; N171-Y173 PolarHBondContact O-N 2.97Å; Y173-E175 PolarHBondContact O-N 3.31Å
174	D	28	Very low	28.2	Very low	64 Å²	64	97.4 Å²	97.4	34%	0.342	51%	0.512	S	S	.	.	H	α-helix	trans	-64.7	-41.6	-171.2	-59.4	-19.2	0	0	0	113	Q76 Y275	Q76-D174 PolarHBondContact NE2-OD2 3.12Å; D174-Y275 HydrophobicContact CB-CE2 4.47Å
175	E	27	Very low	27.9	Very low	132 Å²	132	92.7 Å²	92.7	62%	0.617	51%	0.508	S	S	*	.	H	α-helix	trans	-69.5	-39.2	-177.5	-65.8	-173.6	153.6	0	0	113.1	Y173 V177 F178 L179	Y173-E175 PolarHBondContact O-N 3.31Å; E175-V177 VanDerWaalsContact C-N 3.28Å; E175-V177 PolarHBondContact O-N 3.24Å; E175-F178 PolarHBondContact O-N 2.95Å; E175-F178 VanDerWaalsContact O-N 3.14Å; E175-L179 WeakPolarHBondContact O-CG 3.4Å; E175-L179 PolarHBondContact O-N 2.78Å
176	D	30.4	Very low	27.7	Very low	65 Å²	65	92.3 Å²	92.3	35%	0.348	50%	0.504	S	S	.	.	H	α-helix	trans	-65.1	-32.5	-177	-172.1	27.3	0	0	0	111.5	R180	D176-R180 VanDerWaalsContact CG-NH2 3.32Å; D176-R180 WeakPolarHBondContact O-CB 3.35Å; D176-R180 VanDerWaalsContact O-CD 3.27Å; D176-R180 WeakPolarHBondContact O-CD 3.29Å; D176-R180 WeakPolarHBondContact O-CG 3.2Å; D176-R180 PolarHBondContact O-N 3.05Å; D176-R180 IonicContact OD1-CZ 3.29Å; D176-R180 IonicContact OD1-NE 3.45Å; D176-R180 PolarHBondContact OD1-NE 2.7Å; D176-R180 IonicContact OD1-NH2 2.7Å; D176-R180 PolarHBondContact OD1-NH2 2.7Å; D176-R180 VanDerWaalsContact OD1-NH2 3.11Å; D176-R180 IonicContact OD2-CZ 2.6Å; D176-R180 IonicContact OD2-NE 2.74Å; D176-R180 PolarHBondContact OD2-NE 2.94Å; D176-R180 VanDerWaalsContact OD2-NE 3.17Å; D176-R180 IonicContact OD2-NH2 2.71Å; D176-R180 PolarHBondContact OD2-NH2 3.33Å
177	V	30.5	Very low	27.5	Very low	69 Å²	69	92.6 Å²	92.6	42%	0.418	50%	0.496	S	S	.	.	H	α-helix	trans	-67.3	-45.2	172.7	178.9	0	0	0	0	111.1	E175 L181	E175-V177 VanDerWaalsContact C-N 3.28Å; E175-V177 PolarHBondContact O-N 3.24Å; V177-L181 HydrophobicContact CG1-CD1 4.35Å; V177-L181 WeakPolarHBondContact O-CG 3.14Å; V177-L181 PolarHBondContact O-N 3.22Å
178	F	30	Very low	27.4	Very low	121 Å²	121	94.6 Å²	94.6	53%	0.531	51%	0.505	S	S	.	.	H	α-helix	trans	-66.8	-45.6	-178.4	-169.2	-99.3	0	0	0	112.1	E175 R180 L181 I182 L187	E175-F178 PolarHBondContact O-N 2.95Å; E175-F178 VanDerWaalsContact O-N 3.14Å; F178-R180 PolarHBondContact O-N 3.47Å; F178-L181 PolarHBondContact O-N 3.04Å; F178-I182 HydrophobicContact CD1-CD1 4.07Å; F178-I182 HydrophobicContact CE1-CD1 3.7Å; F178-I182 HydrophobicContact CZ-CD1 4.39Å; F178-I182 PolarHBondContact O-N 3.01Å; F178-L187 HydrophobicContact CE2-CD1 4.03Å; F178-L187 HydrophobicContact CZ-CD1 4.31Å
179	L	31.9	Very low	27.5	Very low	98 Å²	98	94.9 Å²	94.9	51%	0.513	51%	0.506	S	S	.	.	H	α-helix	trans	-62.3	-40.9	177.9	-70.1	170.9	0	0	0	112.1	E175 L181 I182 Q183	E175-L179 WeakPolarHBondContact O-CG 3.4Å; E175-L179 PolarHBondContact O-N 2.78Å; L179-L181 VanDerWaalsContact C-N 3.34Å; L179-L181 PolarHBondContact O-N 2.83Å; L179-I182 PolarHBondContact O-N 3.27Å; L179-Q183 WeakPolarHBondContact O-CG 3.21Å; L179-Q183 PolarHBondContact O-N 2.83Å
180	R	30.1	Very low	27.4	Very low	133 Å²	133	95.4 Å²	95.4	50%	0.502	50%	0.504	S	S	.	.	H	α-helix	trans	-62.4	-37.7	176.1	-74.5	169.7	-163.9	-110.2	5.5	112.9	D176 F178 I182 Q183 I184	D176-R180 VanDerWaalsContact CG-NH2 3.32Å; D176-R180 WeakPolarHBondContact O-CB 3.35Å; D176-R180 VanDerWaalsContact O-CD 3.27Å; D176-R180 WeakPolarHBondContact O-CD 3.29Å; D176-R180 WeakPolarHBondContact O-CG 3.2Å; D176-R180 PolarHBondContact O-N 3.05Å; D176-R180 IonicContact OD1-CZ 3.29Å; D176-R180 IonicContact OD1-NE 3.45Å; D176-R180 PolarHBondContact OD1-NE 2.7Å; D176-R180 IonicContact OD1-NH2 2.7Å; D176-R180 PolarHBondContact OD1-NH2 2.7Å; D176-R180 VanDerWaalsContact OD1-NH2 3.11Å; D176-R180 IonicContact OD2-CZ 2.6Å; D176-R180 IonicContact OD2-NE 2.74Å; D176-R180 PolarHBondContact OD2-NE 2.94Å; D176-R180 VanDerWaalsContact OD2-NE 3.17Å; D176-R180 IonicContact OD2-NH2 2.71Å; D176-R180 PolarHBondContact OD2-NH2 3.33Å; F178-R180 PolarHBondContact O-N 3.47Å; R180-I182 VanDerWaalsContact C-N 3.28Å; R180-I182 PolarHBondContact O-N 2.74Å; R180-Q183 PolarHBondContact O-N 3.17Å; R180-I184 VanDerWaalsContact O-CG1 3.27Å; R180-I184 WeakPolarHBondContact O-CG1 3.46Å; R180-I184 PolarHBondContact O-N 2.9Å; R180-I184 VanDerWaalsContact O-N 3.09Å
181	L	28.7	Very low	27.4	Very low	48 Å²	48	96.5 Å²	96.5	25%	0.251	50%	0.502	S	S	.	.	H	α-helix	trans	-64.8	-31.1	177.9	-71.6	167.5	0	0	0	112.8	V177 F178 L179 I184 M186 L187	V177-L181 HydrophobicContact CG1-CD1 4.35Å; V177-L181 WeakPolarHBondContact O-CG 3.14Å; V177-L181 PolarHBondContact O-N 3.22Å; F178-L181 PolarHBondContact O-N 3.04Å; L179-L181 VanDerWaalsContact C-N 3.34Å; L179-L181 PolarHBondContact O-N 2.83Å; L181-I184 HydrophobicContact CD2-CD1 4.41Å; L181-M186 PolarHBondContact O-N 3.49Å; L181-L187 HydrophobicContact CB-CD1 4.22Å; L181-L187 PolarHBondContact O-N 2.91Å
182	I	27.6	Very low	27.4	Very low	71 Å²	71	97.5 Å²	97.5	36%	0.364	51%	0.508	S	S	.	.	H	α-helix	trans	-76.3	-45.9	172.1	-62.2	172.3	0	0	0	110.5	F178 L179 R180 I184 G185 L187	F178-I182 HydrophobicContact CD1-CD1 4.07Å; F178-I182 HydrophobicContact CE1-CD1 3.7Å; F178-I182 HydrophobicContact CZ-CD1 4.39Å; F178-I182 PolarHBondContact O-N 3.01Å; L179-I182 PolarHBondContact O-N 3.27Å; R180-I182 VanDerWaalsContact C-N 3.28Å; R180-I182 PolarHBondContact O-N 2.74Å; I182-I184 VanDerWaalsContact C-N 3.27Å; I182-I184 PolarHBondContact O-N 2.87Å; I182-G185 WeakPolarHBondContact O-CA 3.45Å; I182-G185 PolarHBondContact O-N 2.89Å; I182-L187 HydrophobicContact CG1-CB 3.9Å; I182-L187 HydrophobicContact CG1-CD1 4.05Å
183	Q	28.8	Very low	27.2	Very low	160 Å²	160	94.2 Å²	94.2	75%	0.748	49%	0.485	S	S	*	.	H	α-helix	trans	-58.5	-34.7	-179.4	-76.7	179.3	-13.3	0	0	113.7	L179 R180 G185	L179-Q183 WeakPolarHBondContact O-CG 3.21Å; L179-Q183 PolarHBondContact O-N 2.83Å; R180-Q183 PolarHBondContact O-N 3.17Å; Q183-G185 VanDerWaalsContact C-N 3.25Å; Q183-G185 PolarHBondContact O-N 2.79Å
184	I	28.3	Very low	27.2	Very low	102 Å²	102	91.2 Å²	91.2	52%	0.523	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	5.7	176.1	66.6	-169	0	0	0	113.6	R180 L181 I182 M186	R180-I184 VanDerWaalsContact O-CG1 3.27Å; R180-I184 WeakPolarHBondContact O-CG1 3.46Å; R180-I184 PolarHBondContact O-N 2.9Å; R180-I184 VanDerWaalsContact O-N 3.09Å; L181-I184 HydrophobicContact CD2-CD1 4.41Å; I182-I184 VanDerWaalsContact C-N 3.27Å; I182-I184 PolarHBondContact O-N 2.87Å; I184-M186 HydrophobicContact CB-SD 4.46Å; I184-M186 HydrophobicContact CD1-CB 4.43Å; I184-M186 HydrophobicContact CD1-CG 4.18Å; I184-M186 HydrophobicContact CD1-SD 3.44Å; I184-M186 WeakPolarHBondContact CD1-SD 3.39Å; I184-M186 HydrophobicContact CG1-CB 3.99Å; I184-M186 HydrophobicContact CG1-CG 3.74Å; I184-M186 HydrophobicContact CG1-SD 3.67Å; I184-M186 PolarHBondContact O-N 2.88Å
185	G	24.3	Very low	27	Very low	44 Å²	44	95.8 Å²	95.8	45%	0.454	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	15.9	176.7	0	0	0	0	0	114.9	I182 Q183 V188	I182-G185 WeakPolarHBondContact O-CA 3.45Å; I182-G185 PolarHBondContact O-N 2.89Å; Q183-G185 VanDerWaalsContact C-N 3.25Å; Q183-G185 PolarHBondContact O-N 2.79Å; G185-V188 WeakPolarHBondContact O-CG2 3.42Å
186	M	26.1	Very low	27	Very low	83 Å²	83	95.6 Å²	95.6	41%	0.409	50%	0.499	S	S	.	.			trans	-91.7	-23.9	-176	-66	175.9	86.4	0	0	112.4	L181 I184 W381 I398	L181-M186 PolarHBondContact O-N 3.49Å; I184-M186 HydrophobicContact CB-SD 4.46Å; I184-M186 HydrophobicContact CD1-CB 4.43Å; I184-M186 HydrophobicContact CD1-CG 4.18Å; I184-M186 HydrophobicContact CD1-SD 3.44Å; I184-M186 WeakPolarHBondContact CD1-SD 3.39Å; I184-M186 HydrophobicContact CG1-CB 3.99Å; I184-M186 HydrophobicContact CG1-CG 3.74Å; I184-M186 HydrophobicContact CG1-SD 3.67Å; I184-M186 PolarHBondContact O-N 2.88Å; M186-W381 HydrophobicContact CE-CH2 4.37Å; M186-I398 HydrophobicContact CE-CB 4.05Å; M186-I398 HydrophobicContact CE-CD1 3.91Å; M186-I398 HydrophobicContact CE-CG1 3.52Å; M186-I398 HydrophobicContact CE-CG2 3.55Å; M186-I398 HydrophobicContact SD-CG2 4.48Å
187	L	23.3	Very low	26.7	Very low	71 Å²	71	97.8 Å²	97.8	37%	0.372	51%	0.511	S	S	.	.	S	Bend	trans	-86.4	109.2	146.5	-97.3	159.5	0	0	0	108.1	F178 L181 I182 P189	F178-L187 HydrophobicContact CE2-CD1 4.03Å; F178-L187 HydrophobicContact CZ-CD1 4.31Å; L181-L187 HydrophobicContact CB-CD1 4.22Å; L181-L187 PolarHBondContact O-N 2.91Å; I182-L187 HydrophobicContact CG1-CB 3.9Å; I182-L187 HydrophobicContact CG1-CD1 4.05Å; L187-P189 WeakPolarHBondContact O-CD 3.36Å
188	V	24.3	Very low	26.5	Very low	122 Å²	122	104.8 Å²	104.8	74%	0.739	53%	0.53	S	S	*	.			trans	-92.9	96.1	160.6	-179.6	0	0	0	0	106.3	G185 N190	G185-V188 WeakPolarHBondContact O-CG2 3.42Å; V188-N190 PolarHBondContact O-N 2.88Å
189	P	25.6	Very low	26.3	Very low	53 Å²	53	102 Å²	102	34%	0.344	52%	0.52	S	S	.	.			trans	-62.7	127.8	169.3	28.1	-33.5	0	0	0	107.7	L187 I191 V194	L187-P189 WeakPolarHBondContact O-CD 3.36Å; P189-I191 PolarHBondContact O-N 2.83Å; P189-V194 HydrophobicContact CB-CG2 3.72Å; P189-V194 HydrophobicContact CG-CG2 3.77Å
190	N	24.9	Very low	26	Very low	104 Å²	104	101.6 Å²	101.6	56%	0.556	52%	0.522	S	S	*	.			trans	-59.6	136.9	168.8	-172.7	30.4	0	0	0	107.7	V188 D192 C193	V188-N190 PolarHBondContact O-N 2.88Å; N190-D192 PolarHBondContact O-N 3.17Å; N190-C193 WeakPolarHBondContact O-CB 3.49Å; N190-C193 PolarHBondContact O-N 2.83Å
191	I	26.5	Very low	25.8	Very low	131 Å²	131	100 Å²	100	67%	0.672	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-26.4	-159.9	-65.7	174.5	0	0	0	112.2	P189 V194	P189-I191 PolarHBondContact O-N 2.83Å; I191-V194 PolarHBondContact O-N 2.92Å
192	D	26.1	Very low	25.8	Very low	98 Å²	98	104 Å²	104	52%	0.524	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-36.4	174.4	-55.5	-52.5	0	0	0	113	N190 V194 K195	N190-D192 PolarHBondContact O-N 3.17Å; D192-V194 VanDerWaalsContact C-N 3.28Å; D192-V194 PolarHBondContact O-N 3.16Å; D192-K195 WeakPolarHBondContact O-CB 2.94Å; D192-K195 PolarHBondContact O-N 2.83Å; D192-K195 VanDerWaalsContact O-N 3.15Å
193	C	23.7	Very low	25.8	Very low	51 Å²	51	103.2 Å²	103.2	35%	0.345	54%	0.541	S	S	.	.	H	α-helix	trans	-61.2	-37.4	179.5	-55	0	0	0	0	112.1	N190 K195 E196 D197	N190-C193 WeakPolarHBondContact O-CB 3.49Å; N190-C193 PolarHBondContact O-N 2.83Å; C193-K195 PolarHBondContact O-N 3.05Å; C193-K195 VanDerWaalsContact O-N 3.17Å; C193-E196 PolarHBondContact O-N 3.06Å; C193-D197 PolarHBondContact O-N 3.02Å
194	V	24.1	Very low	25.9	Very low	95 Å²	95	97.8 Å²	97.8	58%	0.576	52%	0.521	S	S	*	.	H	α-helix	trans	-67.6	-17	-177.7	-168.7	0	0	0	0	112.1	P189 I191 D192	P189-V194 HydrophobicContact CB-CG2 3.72Å; P189-V194 HydrophobicContact CG-CG2 3.77Å; I191-V194 PolarHBondContact O-N 2.92Å; D192-V194 VanDerWaalsContact C-N 3.28Å; D192-V194 PolarHBondContact O-N 3.16Å
195	K	25.5	Very low	26.2	Very low	161 Å²	161	97.9 Å²	97.9	70%	0.7	53%	0.528	S	S	*	.	H	α-helix	trans	-79.1	-22.4	173	-68.9	176.1	177.5	168.1	0	113.4	D192 C193	D192-K195 WeakPolarHBondContact O-CB 2.94Å; D192-K195 PolarHBondContact O-N 2.83Å; D192-K195 VanDerWaalsContact O-N 3.15Å; C193-K195 PolarHBondContact O-N 3.05Å; C193-K195 VanDerWaalsContact O-N 3.17Å
196	E	25.3	Very low	26.7	Very low	127 Å²	127	102.5 Å²	102.5	59%	0.593	54%	0.538	S	S	*	.	H	α-helix	trans	-118.6	-18	-171.6	-62.6	-168.2	153.8	0	0	114.5	C193 R198	C193-E196 PolarHBondContact O-N 3.06Å; E196-R198 CarbonylContact O-C 3.59Å; E196-R198 VanDerWaalsContact O-C 3.32Å; E196-R198 PolarHBondContact O-N 3.31Å
197	D	24.6	Very low	27.1	Very low	111 Å²	111	99.6 Å²	99.6	59%	0.594	52%	0.523	S	S	*	.	S	Bend	trans	-62.6	-9.4	178.6	-93	-27.1	0	0	0	114.5	C193 L199	C193-D197 PolarHBondContact O-N 3.02Å; D197-L199 PolarHBondContact O-N 2.84Å
198	R	26.6	Very low	27.9	Very low	216 Å²	216	101.8 Å²	101.8	82%	0.815	53%	0.534	S	S	*	.	S	Bend	trans	-84	92.1	158.4	-70.7	-171.8	179.8	-170.8	0.5	108.8	E196 T200	E196-R198 CarbonylContact O-C 3.59Å; E196-R198 VanDerWaalsContact O-C 3.32Å; E196-R198 PolarHBondContact O-N 3.31Å; R198-T200 PolarHBondContact O-N 3.3Å; R198-T200 PolarHBondContact O-OG1 3Å
199	L	25.3	Very low	28.7	Very low	62 Å²	62	99.7 Å²	99.7	33%	0.325	54%	0.538	S	S	.	.			trans	-65.9	56.3	175.7	-66.6	179.7	0	0	0	113.6	Y78 D197 Y201	Y78-L199 HydrophobicContact CD1-CD1 4.33Å; Y78-L199 HydrophobicContact CE1-CD1 3.72Å; D197-L199 PolarHBondContact O-N 2.84Å; L199-Y201 HydrophobicContact CB-CD2 4.23Å; L199-Y201 HydrophobicContact CB-CE2 3.79Å; L199-Y201 HydrophobicContact CD1-CE2 4.18Å; L199-Y201 HydrophobicContact CD2-CE2 4.35Å; L199-Y201 HydrophobicContact CG-CE2 4.34Å; L199-Y201 WeakPolarHBondContact O-CD2 3.35Å; L199-Y201 PolarHBondContact O-N 3.34Å
200	T	26.6	Very low	29.6	Very low	91 Å²	91	97.7 Å²	97.7	56%	0.558	53%	0.526	S	S	*	.			trans	-74.6	75	169.3	-48.1	0	0	0	0	107.7	R198 V202	R198-T200 PolarHBondContact O-N 3.3Å; R198-T200 PolarHBondContact O-OG1 3Å; T200-V202 PolarHBondContact O-N 3.3Å
201	Y	25.8	Very low	30.5	Very low	99 Å²	99	97.5 Å²	97.5	39%	0.388	53%	0.529	S	S	.	.			trans	-60.9	98.4	177.4	-71	-73.1	0	0	0	109.8	L199 V203 A303	L199-Y201 HydrophobicContact CB-CD2 4.23Å; L199-Y201 HydrophobicContact CB-CE2 3.79Å; L199-Y201 HydrophobicContact CD1-CE2 4.18Å; L199-Y201 HydrophobicContact CD2-CE2 4.35Å; L199-Y201 HydrophobicContact CG-CE2 4.34Å; L199-Y201 WeakPolarHBondContact O-CD2 3.35Å; L199-Y201 PolarHBondContact O-N 3.34Å; Y201-V203 PolarHBondContact O-N 3.03Å; Y201-A303 HydrophobicContact CE1-CB 3.63Å
202	V	28	Very low	31.4	Very low	131 Å²	131	96.6 Å²	96.6	79%	0.794	52%	0.521	S	S	*	.			trans	-69.9	84.5	168.5	-177.6	0	0	0	0	107	T200 S204	T200-V202 PolarHBondContact O-N 3.3Å; V202-S204 PolarHBondContact O-N 3.15Å
203	V	27.2	Very low	32.2	Very low	56 Å²	56	94.7 Å²	94.7	34%	0.339	52%	0.515	S	S	.	.			trans	-59.2	106.2	174.3	179.8	0	0	0	0	107	Y201 F207	Y201-V203 PolarHBondContact O-N 3.03Å; V203-F207 HydrophobicContact CG1-CB 3.68Å
204	S	31.4	Very low	33.1	Very low	46 Å²	46	98.1 Å²	98.1	32%	0.322	52%	0.524	S	S	.	.			trans	-49.9	142.1	177.4	171.9	0	0	0	0	109.7	V202 E206 F207	V202-S204 PolarHBondContact O-N 3.15Å; S204-E206 PolarHBondContact O-N 3.36Å; S204-F207 PolarHBondContact O-N 3.47Å
205	P	35.6	Very low	33.9	Very low	103 Å²	103	94.6 Å²	94.6	67%	0.669	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-52.4	-24.7	178.3	-28.2	35.9	0	0	0	114	F207 L208 R296	P205-F207 PolarHBondContact O-N 3.31Å; P205-L208 PolarHBondContact O-N 3.1Å; P205-R296 PolarHBondContact O-NH1 2.95Å
206	E	35.1	Very low	34.6	Very low	142 Å²	142	92.6 Å²	92.6	66%	0.664	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-60.8	-20.7	172.4	-65	-179.5	-161	0	0	114.2	S204 R296	S204-E206 PolarHBondContact O-N 3.36Å; E206-R296 VanDerWaalsContact C-NH1 3.28Å; E206-R296 WeakPolarHBondContact O-CD 3.38Å; E206-R296 PolarHBondContact O-NH1 3.18Å
207	F	33.1	Very low	35.4	Very low	21 Å²	21	87.9 Å²	87.9	9%	0.092	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-105.8	3.4	177.7	-71.4	-88.8	0	0	0	114.3	V203 S204 P205 G209 G210 V294 R296 T299 L301	V203-F207 HydrophobicContact CG1-CB 3.68Å; S204-F207 PolarHBondContact O-N 3.47Å; P205-F207 PolarHBondContact O-N 3.31Å; F207-G209 PolarHBondContact O-N 3.07Å; F207-G209 VanDerWaalsContact O-N 3.15Å; F207-G210 PolarHBondContact O-N 2.94Å; F207-V294 HydrophobicContact CB-CG1 4.33Å; F207-V294 HydrophobicContact CD1-CB 4.37Å; F207-V294 HydrophobicContact CD1-CG1 4.09Å; F207-V294 VanDerWaalsContact CE1-O 3.31Å; F207-V294 WeakPolarHBondContact CE1-O 3.31Å; F207-R296 HydrophobicContact CD1-CB 4.28Å; F207-T299 HydrophobicContact CE1-CG2 4.22Å; F207-T299 HydrophobicContact CZ-CG2 3.66Å; F207-L301 HydrophobicContact CE1-CB 3.95Å; F207-L301 HydrophobicContact CE2-CB 4.36Å; F207-L301 HydrophobicContact CZ-CB 3.83Å
208	L	39.9	Very low	35.8	Very low	117 Å²	117	87.2 Å²	87.2	61%	0.613	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	120.7	173	-109	95	0	0	0	110.8	P205 R296	P205-L208 PolarHBondContact O-N 3.1Å; L208-R296 PolarHBondContact O-NE 2.85Å; L208-R296 PolarHBondContact O-NH1 3.33Å; L208-R296 PolarHBondContact O-NH2 2.9Å
209	G	41.8	Very low	36.2	Very low	79 Å²	79	81 Å²	81	81%	0.814	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	15.1	-174.7	0	0	0	0	0	114.7	F207	F207-G209 PolarHBondContact O-N 3.07Å; F207-G209 VanDerWaalsContact O-N 3.15Å
210	G	45	Very low	36.5	Very low	10 Å²	10	86.2 Å²	86.2	10%	0.103	51%	0.51	C	S	.	.	P	Polyproline II helix	trans	-67.6	152.6	163.3	0	0	0	0	0	112.4	F207 F212 T295	F207-G210 PolarHBondContact O-N 2.94Å; G210-F212 WeakPolarHBondContact O-CD2 3.42Å; G210-T295 CarbonylContact C-O 3.6Å; G210-T295 WeakPolarHBondContact CA-O 3.37Å
211	T	44.1	Very low	37	Very low	101 Å²	101	86.4 Å²	86.4	62%	0.62	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	126.2	171.7	47.7	0	0	0	0	110.2	T295	T211-T295 PolarHBondContact N-O 2.93Å; T211-T295 PolarHBondContact O-N 2.77Å; T211-T295 PolarHBondContact OG1-O 2.82Å
212	F	44.4	Very low	37.5	Very low	111 Å²	111	87 Å²	87	49%	0.487	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	138.5	176.7	-64.2	-104.1	0	0	0	110	G210 L292 S293 V294	G210-F212 WeakPolarHBondContact O-CD2 3.42Å; F212-L292 HydrophobicContact CD1-CD1 4.22Å; F212-S293 WeakPolarHBondContact CA-O 3.41Å; F212-V294 HydrophobicContact CD1-CB 4.34Å; F212-V294 HydrophobicContact CD1-CG1 4.04Å; F212-V294 HydrophobicContact CD1-CG2 3.61Å; F212-V294 HydrophobicContact CD2-CG1 4.47Å; F212-V294 HydrophobicContact CE1-CB 4.29Å; F212-V294 HydrophobicContact CE1-CG1 3.76Å; F212-V294 HydrophobicContact CE1-CG2 3.54Å; F212-V294 HydrophobicContact CE2-CG1 4.2Å; F212-V294 HydrophobicContact CG-CG1 4.39Å; F212-V294 HydrophobicContact CZ-CG1 3.84Å; F212-V294 HydrophobicContact CZ-CG2 4.42Å
213	S	43.4	Very low	38.4	Very low	59 Å²	59	84 Å²	84	41%	0.413	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	139.4	175.6	53.8	0	0	0	0	110.4	S293	S213-S293 PolarHBondContact N-O 2.85Å; S213-S293 WeakPolarHBondContact O-CA 3.22Å; S213-S293 WeakPolarHBondContact O-CB 3.43Å; S213-S293 PolarHBondContact O-N 3.46Å
214	F	42	Very low	39.1	Very low	122 Å²	122	86.3 Å²	86.3	54%	0.535	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	128.1	175.3	-65.5	-94.8	0	0	0	109.8	I74 V291 L292	I74-F214 HydrophobicContact CD1-CE2 4.31Å; I74-F214 HydrophobicContact CD1-CZ 4.4Å; F214-V291 CarbonylContact C-O 3.55Å; F214-V291 WeakPolarHBondContact CA-O 3.19Å; F214-L292 HydrophobicContact CD1-CB 4.43Å; F214-L292 HydrophobicContact CD1-CD1 4.1Å; F214-L292 HydrophobicContact CE1-CB 4.33Å; F214-L292 HydrophobicContact CE1-CD1 3.76Å; F214-L292 HydrophobicContact CE1-CG 4.46Å; F214-L292 HydrophobicContact CE2-CD1 4.23Å; F214-L292 HydrophobicContact CZ-CD1 3.83Å
215	G	40.7	Very low	40.1	Very low	21 Å²	21	85 Å²	85	22%	0.216	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	155	176.6	0	0	0	0	0	112	P290 V291	G215-P290 WeakPolarHBondContact O-CA 3.2Å; G215-V291 PolarHBondContact N-O 3.13Å; G215-V291 PolarHBondContact O-N 3.12Å
216	P	41.9	Very low	40.8	Very low	120 Å²	120	82.8 Å²	82.8	78%	0.779	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	139.4	168.2	29.5	-33.7	0	0	0	110.2	S218	P216-S218 VanDerWaalsContact C-N 3.27Å; P216-S218 PolarHBondContact O-N 3.08Å
217	C	41.7	Very low	41.8	Very low	27 Å²	27	76.3 Å²	76.3	18%	0.182	45%	0.449	C	S	.	.			trans	-72.2	82.8	172.6	-174.8	0	0	0	0	110.7	P219 T289 V291	C217-P219 WeakPolarHBondContact O-CD 3.35Å; C217-T289 WeakPolarHBondContact CB-O 3.43Å; C217-V291 HydrophobicContact CB-CG2 3.89Å
218	S	32.3	Very low	42.9	Very low	97 Å²	97	77.3 Å²	77.3	68%	0.678	45%	0.454	S	S	*	.			trans	-56	120.1	172.3	-170.2	0	0	0	0	109.4	P216	P216-S218 VanDerWaalsContact C-N 3.27Å; P216-S218 PolarHBondContact O-N 3.08Å
219	P	35.3	Very low	43.8	Very low	85 Å²	85	72.9 Å²	72.9	55%	0.552	44%	0.435	S	S	*	.				-124	158	85	10.1	10.1	0	0	0	113.7	C217 L221	C217-P219 WeakPolarHBondContact O-CD 3.35Å; P219-L221 HydrophobicContact CB-CD1 4.16Å; P219-L221 HydrophobicContact CB-CG 4.15Å; P219-L221 HydrophobicContact CG-CD1 4.15Å; P219-L221 PolarHBondContact O-N 3.02Å
220	L	32.3	Very low	44.7	Very low	172 Å²	172	69.3 Å²	69.3	90%	0.901	40%	0.397	S	S	*	.			trans	-70.1	45.8	176.6	-72.9	162.5	0	0	0	113.8	I222	L220-I222 PolarHBondContact O-N 3.06Å
221	L	35.6	Very low	45.5	Very low	96 Å²	96	69.1 Å²	69.1	50%	0.503	39%	0.394	S	S	.	.			trans	-98.4	85.7	-178.2	-66.8	173.1	0	0	0	110.4	P219 Y223	P219-L221 HydrophobicContact CB-CD1 4.16Å; P219-L221 HydrophobicContact CB-CG 4.15Å; P219-L221 HydrophobicContact CG-CD1 4.15Å; P219-L221 PolarHBondContact O-N 3.02Å; L221-Y223 HydrophobicContact CB-CE1 3.89Å; L221-Y223 HydrophobicContact CB-CE2 3.82Å; L221-Y223 VanDerWaalsContact CB-CZ 3.46Å; L221-Y223 WeakPolarHBondContact CB-OH 3.37Å; L221-Y223 VanDerWaalsContact CD1-OH 3.25Å; L221-Y223 WeakPolarHBondContact CD1-OH 3.13Å; L221-Y223 WeakPolarHBondContact O-CD2 3.43Å; L221-Y223 VanDerWaalsContact O-CE2 3.26Å; L221-Y223 WeakPolarHBondContact O-CE2 3.4Å; L221-Y223 PolarHBondContact O-N 3.34Å
222	I	37.9	Very low	46.2	Very low	112 Å²	112	64.6 Å²	64.6	57%	0.574	37%	0.366	S	S	*	.			trans	-61.7	118.5	164.3	-71.9	161.5	0	0	0	108.4	T59 L220 P224	T59-I222 HydrophobicContact CG2-CB 4.26Å; T59-I222 HydrophobicContact CG2-CD1 4.01Å; T59-I222 HydrophobicContact CG2-CG1 3.84Å; T59-I222 HydrophobicContact CG2-CG2 3.44Å; T59-I222 VanDerWaalsContact CG2-CG2 3.44Å; L220-I222 PolarHBondContact O-N 3.06Å; I222-P224 WeakPolarHBondContact O-CD 3.47Å
223	Y	45.9	Very low	46.9	Very low	68 Å²	68	59.7 Å²	59.7	27%	0.267	34%	0.344	S	S	.	.			trans	-107.1	99.5	176.2	-59.8	-65.2	0	0	0	110	L221 V225 R283	L221-Y223 HydrophobicContact CB-CE1 3.89Å; L221-Y223 HydrophobicContact CB-CE2 3.82Å; L221-Y223 VanDerWaalsContact CB-CZ 3.46Å; L221-Y223 WeakPolarHBondContact CB-OH 3.37Å; L221-Y223 VanDerWaalsContact CD1-OH 3.25Å; L221-Y223 WeakPolarHBondContact CD1-OH 3.13Å; L221-Y223 WeakPolarHBondContact O-CD2 3.43Å; L221-Y223 VanDerWaalsContact O-CE2 3.26Å; L221-Y223 WeakPolarHBondContact O-CE2 3.4Å; L221-Y223 PolarHBondContact O-N 3.34Å; Y223-V225 PolarHBondContact O-N 2.72Å; Y223-R283 HydrophobicContact CD2-CB 3.76Å; Y223-R283 HydrophobicContact CE1-CB 4.33Å; Y223-R283 HydrophobicContact CE1-CG 4.14Å; Y223-R283 HydrophobicContact CE2-CB 3.57Å; Y223-R283 HydrophobicContact CE2-CG 4.05Å; Y223-R283 HydrophobicContact CG-CB 4.22Å
224	P	42	Very low	47.8	Very low	104 Å²	104	58.7 Å²	58.7	68%	0.675	34%	0.336	S	S	*	.			trans	-68.5	122.9	174.7	28.2	-33.2	0	0	0	109.9	I222	I222-P224 WeakPolarHBondContact O-CD 3.47Å
225	V	51.9	Low	48.8	Very low	18 Å²	18	54.3 Å²	54.3	11%	0.109	32%	0.316	C	S	.	.			trans	-130.9	110.9	171.7	176.8	0	0	0	0	107.5	Y223 A227 F277 I284 V316 V318	Y223-V225 PolarHBondContact O-N 2.72Å; V225-A227 PolarHBondContact O-N 3.22Å; V225-F277 HydrophobicContact CB-CE2 4.22Å; V225-F277 HydrophobicContact CB-CZ 3.88Å; V225-F277 HydrophobicContact CG1-CE2 3.67Å; V225-F277 HydrophobicContact CG1-CZ 3.87Å; V225-I284 HydrophobicContact CG2-CD1 4.43Å; V225-V316 CarbonylContact C-O 3.47Å; V225-V316 VanDerWaalsContact CA-O 3.3Å; V225-V316 WeakPolarHBondContact CA-O 3.34Å; V225-V318 HydrophobicContact CG1-CG2 3.8Å
226	E	50.8	Low	49.7	Very low	57 Å²	57	53.5 Å²	53.5	27%	0.266	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	110.2	-178.3	-67.7	-169.4	117.1	0	0	110.2	K55 F249 V316 R317 V318	K55-E226 IonicContact NZ-OE1 2.98Å; K55-E226 PolarHBondContact NZ-OE1 3.14Å; E226-F249 HydrophobicContact CB-CZ 3.96Å; E226-F249 WeakPolarHBondContact O-CZ 3.33Å; E226-V316 PolarHBondContact N-O 3.3Å; E226-R317 HydrophobicContact CB-CG 4.28Å; E226-R317 CarbonylContact O-C 3.58Å; E226-R317 VanDerWaalsContact O-CA 3.23Å; E226-R317 WeakPolarHBondContact O-CA 3.27Å; E226-R317 IonicContact OE2-NE 3.9Å; E226-V318 PolarHBondContact O-N 3.06Å
227	A	56.2	Low	50.6	Low	5 Å²	5	48.8 Å²	48.8	4%	0.041	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	139	173	0	0	0	0	0	112.1	L56 V225 F277 V318 F320	L56-A227 HydrophobicContact CB-CB 4.38Å; L56-A227 HydrophobicContact CD1-CB 3.92Å; V225-A227 PolarHBondContact O-N 3.22Å; A227-F277 HydrophobicContact CB-CD2 4.48Å; A227-F277 HydrophobicContact CB-CE2 3.94Å; A227-V318 CarbonylContact C-O 3.59Å; A227-V318 WeakPolarHBondContact CA-O 3.46Å; A227-V318 HydrophobicContact CB-CB 4.42Å; A227-F320 HydrophobicContact CB-CD2 4.4Å; A227-F320 HydrophobicContact CB-CE2 4.03Å
228	M	56.2	Low	51.7	Low	42 Å²	42	48 Å²	48	21%	0.207	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	143.5	169.1	-174	-177.9	-171.2	0	0	108.6	M53 I230 F249 V318 L319 F320	M53-M228 HydrophobicContact CE-CE 3.81Å; M53-M228 HydrophobicContact CE-CG 4.28Å; M53-M228 HydrophobicContact SD-CE 3.98Å; M228-I230 HydrophobicContact CE-CG2 3.79Å; M228-I230 HydrophobicContact CG-CG2 4.26Å; M228-I230 HydrophobicContact SD-CG2 4.21Å; M228-F249 HydrophobicContact CB-CD1 3.99Å; M228-F249 HydrophobicContact CB-CD2 4.33Å; M228-F249 HydrophobicContact CB-CE1 3.84Å; M228-F249 HydrophobicContact CB-CE2 4.2Å; M228-F249 HydrophobicContact CB-CG 4.24Å; M228-F249 HydrophobicContact CB-CZ 3.95Å; M228-F249 HydrophobicContact SD-CB 4.05Å; M228-F249 HydrophobicContact SD-CD2 4.07Å; M228-F249 HydrophobicContact SD-CG 3.96Å; M228-V318 PolarHBondContact N-O 2.7Å; M228-L319 HydrophobicContact CB-CD1 4.01Å; M228-L319 HydrophobicContact CG-CD1 4.12Å; M228-L319 CarbonylContact O-C 3.55Å; M228-L319 WeakPolarHBondContact O-CA 3.47Å; M228-L319 HydrophobicContact SD-CD1 4.13Å; M228-F320 PolarHBondContact O-N 3.41Å
229	A	59.3	Low	53.1	Low	25 Å²	25	45.5 Å²	45.5	21%	0.207	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130.9	173.5	0	0	0	0	0	110.3	M53 I273 F320 L322	M53-A229 WeakPolarHBondContact CE-O 3.29Å; A229-I273 HydrophobicContact CB-CD1 4.49Å; A229-F320 CarbonylContact C-O 3.3Å; A229-F320 VanDerWaalsContact CA-O 3.3Å; A229-F320 WeakPolarHBondContact CA-O 3.31Å; A229-F320 HydrophobicContact CB-CB 4.11Å; A229-L322 HydrophobicContact CB-CD1 4.4Å; A229-L322 HydrophobicContact CB-CD2 4.28Å; A229-L322 HydrophobicContact CB-CG 4.39Å
230	I	59.6	Low	54.3	Low	4 Å²	4	45.6 Å²	45.6	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.4	179.7	61.4	172.4	0	0	0	111.6	M228 T234 Y235 M246 L319 F320 V321 L322	M228-I230 HydrophobicContact CE-CG2 3.79Å; M228-I230 HydrophobicContact CG-CG2 4.26Å; M228-I230 HydrophobicContact SD-CG2 4.21Å; I230-T234 HydrophobicContact CB-CG2 4.25Å; I230-T234 HydrophobicContact CD1-CG2 4.39Å; I230-T234 HydrophobicContact CG2-CG2 4.45Å; I230-Y235 HydrophobicContact CD1-CD2 4.47Å; I230-M246 HydrophobicContact CD1-CE 4.13Å; I230-M246 HydrophobicContact CD1-SD 4.2Å; I230-L319 HydrophobicContact CD1-CD1 3.91Å; I230-L319 HydrophobicContact CD1-CD2 3.92Å; I230-L319 HydrophobicContact CD1-CG 4.1Å; I230-L319 HydrophobicContact CG1-CD1 3.89Å; I230-L319 HydrophobicContact CG1-CG 4.23Å; I230-L319 HydrophobicContact CG2-CD1 4.1Å; I230-F320 PolarHBondContact N-O 2.85Å; I230-V321 WeakPolarHBondContact O-CA 3.3Å; I230-L322 PolarHBondContact O-N 3.35Å
231	P	61.4	Low	55.7	Low	5 Å²	5	47.2 Å²	47.2	3%	0.032	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	161.3	172.4	29.7	-33.9	0	0	0	112.3	D233 T234 Y235 A325 T327	P231-D233 WeakPolarHBondContact CB-OD1 3.44Å; P231-D233 PolarHBondContact O-N 2.82Å; P231-T234 PolarHBondContact O-N 3.27Å; P231-Y235 PolarHBondContact O-N 3.46Å; P231-A325 HydrophobicContact CB-CB 4.24Å; P231-A325 WeakPolarHBondContact CB-O 3.35Å; P231-T327 HydrophobicContact CG-CG2 3.62Å
232	L	58.9	Low	56.7	Low	7 Å²	7	45.3 Å²	45.3	4%	0.037	23%	0.225	C	C	.	.	H	α-helix	trans	-62.7	-38.2	-169.3	176.8	58.6	0	0	0	114.1	Y235 V236 V321 L322 V323 A325 V345 L360	L232-Y235 HydrophobicContact CD1-CD1 4.47Å; L232-Y235 PolarHBondContact O-N 2.89Å; L232-V236 WeakPolarHBondContact O-CG2 3.14Å; L232-V236 PolarHBondContact O-N 3.21Å; L232-V321 HydrophobicContact CD1-CG1 4.09Å; L232-L322 PolarHBondContact N-O 3.07Å; L232-V323 VanDerWaalsContact CD2-O 3.29Å; L232-V323 WeakPolarHBondContact CD2-O 3.17Å; L232-A325 WeakPolarHBondContact CB-O 3.36Å; L232-A325 PolarHBondContact N-O 2.86Å; L232-V345 HydrophobicContact CD2-CG2 3.62Å; L232-V345 HydrophobicContact CG-CG1 4.49Å; L232-V345 HydrophobicContact CG-CG2 4.11Å; L232-L360 HydrophobicContact CD1-CD1 3.83Å; L232-L360 HydrophobicContact CD2-CD1 3.69Å; L232-L360 HydrophobicContact CD2-CD2 3.77Å; L232-L360 HydrophobicContact CD2-CG 4.25Å; L232-L360 HydrophobicContact CG-CD1 4.3Å
233	D	59.2	Low	57.5	Low	7 Å²	7	41.7 Å²	41.7	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-67.1	-46.6	176.1	55.8	-14.3	0	0	0	111.7	P231 Y235 V236 D237 T326 T327 V345	P231-D233 WeakPolarHBondContact CB-OD1 3.44Å; P231-D233 PolarHBondContact O-N 2.82Å; D233-Y235 VanDerWaalsContact C-N 3.27Å; D233-Y235 PolarHBondContact O-N 3.47Å; D233-V236 CarbonylContact O-C 3.49Å; D233-V236 WeakPolarHBondContact O-CA 3.44Å; D233-V236 WeakPolarHBondContact O-CB 3.43Å; D233-V236 PolarHBondContact O-N 3.18Å; D233-D237 PolarHBondContact O-N 2.59Å; D233-T326 HydrophobicContact CB-CG2 4.44Å; D233-T326 WeakPolarHBondContact OD1-CA 3.35Å; D233-T326 WeakPolarHBondContact OD2-CB 3.45Å; D233-T327 VanDerWaalsContact CG-N 3.31Å; D233-T327 PolarHBondContact OD1-N 2.89Å; D233-T327 VanDerWaalsContact OD1-N 3.08Å; D233-T327 WeakPolarHBondContact OD2-CA 3.47Å; D233-T327 WeakPolarHBondContact OD2-CB 3.04Å; D233-T327 PolarHBondContact OD2-N 3.22Å; D233-T327 PolarHBondContact OD2-OG1 2.79Å; D233-V345 HydrophobicContact CB-CG1 3.84Å
234	T	62.5	Low	58	Low	38 Å²	38	49 Å²	49	23%	0.233	24%	0.241	C	C	.	.	H	α-helix	trans	-58.6	-39	173.8	-62.3	0	0	0	0	111.5	I230 P231 D237 A238 M246 T327	I230-T234 HydrophobicContact CB-CG2 4.25Å; I230-T234 HydrophobicContact CD1-CG2 4.39Å; I230-T234 HydrophobicContact CG2-CG2 4.45Å; P231-T234 PolarHBondContact O-N 3.27Å; T234-D237 PolarHBondContact O-N 3.23Å; T234-A238 VanDerWaalsContact O-CB 3.3Å; T234-A238 WeakPolarHBondContact O-CB 3.44Å; T234-A238 PolarHBondContact O-N 2.75Å; T234-M246 HydrophobicContact CG2-SD 4.48Å; T234-T327 WeakPolarHBondContact OG1-CG2 3.25Å
235	Y	63.7	Low	58.9	Low	30 Å²	30	50.5 Å²	50.5	12%	0.118	24%	0.243	C	C	.	.	H	α-helix	trans	-62.5	-42.1	171.5	168	-104.9	0	0	0	112.7	I230 P231 L232 D233 Y239 W254 V260 V321 W367	I230-Y235 HydrophobicContact CD1-CD2 4.47Å; P231-Y235 PolarHBondContact O-N 3.46Å; L232-Y235 HydrophobicContact CD1-CD1 4.47Å; L232-Y235 PolarHBondContact O-N 2.89Å; D233-Y235 VanDerWaalsContact C-N 3.27Å; D233-Y235 PolarHBondContact O-N 3.47Å; Y235-Y239 WeakPolarHBondContact O-CB 3.32Å; Y235-Y239 PolarHBondContact O-N 3.27Å; Y235-W254 AromaticContact CD2-CH2 3.61Å; Y235-W254 HydrophobicContact CD2-CH2 3.61Å; Y235-W254 HydrophobicContact CD2-CZ2 4.24Å; Y235-W254 HydrophobicContact CD2-CZ3 4.17Å; Y235-W254 HydrophobicContact CE2-CE3 4.36Å; Y235-W254 AromaticContact CE2-CH2 3.33Å; Y235-W254 HydrophobicContact CE2-CH2 3.33Å; Y235-W254 HydrophobicContact CE2-CZ2 4.21Å; Y235-W254 AromaticContact CE2-CZ3 3.41Å; Y235-W254 HydrophobicContact CE2-CZ3 3.41Å; Y235-W254 VanDerWaalsContact CE2-CZ3 3.41Å; Y235-V260 HydrophobicContact CD2-CG1 4.22Å; Y235-V260 HydrophobicContact CE2-CG1 3.7Å; Y235-V321 HydrophobicContact CD1-CG1 3.9Å; Y235-V321 HydrophobicContact CD1-CG2 4.25Å; Y235-V321 HydrophobicContact CD2-CG2 3.52Å; Y235-V321 HydrophobicContact CE2-CG2 4.08Å; Y235-V321 HydrophobicContact CG-CB 4.36Å; Y235-V321 HydrophobicContact CG-CG1 3.75Å; Y235-V321 HydrophobicContact CG-CG2 3.62Å; Y235-W367 VanDerWaalsContact OH-CD1 3.25Å; Y235-W367 PolarHBondContact OH-NE1 3.16Å
236	V	58.5	Low	59.6	Low	4 Å²	4	51.3 Å²	51.3	2%	0.024	25%	0.246	C	C	.	.	H	α-helix	trans	-67.3	-39.7	178.7	173.1	0	0	0	0	111.3	L232 D233 Y239 R240 V347 L363	L232-V236 WeakPolarHBondContact O-CG2 3.14Å; L232-V236 PolarHBondContact O-N 3.21Å; D233-V236 CarbonylContact O-C 3.49Å; D233-V236 WeakPolarHBondContact O-CA 3.44Å; D233-V236 WeakPolarHBondContact O-CB 3.43Å; D233-V236 PolarHBondContact O-N 3.18Å; V236-Y239 CarbonylContact O-C 3.57Å; V236-Y239 WeakPolarHBondContact O-CB 3.42Å; V236-Y239 PolarHBondContact O-N 3.12Å; V236-R240 HydrophobicContact CG1-CG 4.49Å; V236-R240 WeakPolarHBondContact O-CB 3.32Å; V236-R240 WeakPolarHBondContact O-CG 3.21Å; V236-R240 PolarHBondContact O-N 3.43Å; V236-V347 HydrophobicContact CG1-CB 4.39Å; V236-V347 HydrophobicContact CG1-CG1 3.54Å; V236-V347 HydrophobicContact CG1-CG2 3.85Å; V236-L363 HydrophobicContact CG1-CD1 4.42Å; V236-L363 HydrophobicContact CG1-CD2 3.95Å; V236-L363 HydrophobicContact CG2-CD1 3.81Å; V236-L363 HydrophobicContact CG2-CD2 4.39Å
237	D	61.8	Low	60.5	Low	21 Å²	21	50.2 Å²	50.2	11%	0.112	25%	0.25	C	S	.	.	H	α-helix	trans	-71.1	-38.3	177	-76.9	-38.9	0	0	0	112	D233 T234 Y239 R240 R241 S242 A243	D233-D237 PolarHBondContact O-N 2.59Å; T234-D237 PolarHBondContact O-N 3.23Å; D237-Y239 VanDerWaalsContact C-N 3.31Å; D237-Y239 PolarHBondContact O-N 3.21Å; D237-R240 PolarHBondContact O-N 2.88Å; D237-R241 PolarHBondContact O-N 3.29Å; D237-S242 WeakPolarHBondContact CA-OG 3.17Å; D237-S242 VanDerWaalsContact CB-OG 3.28Å; D237-S242 WeakPolarHBondContact CB-OG 3.34Å; D237-S242 PolarHBondContact O-N 2.56Å; D237-S242 PolarHBondContact O-OG 2.85Å; D237-S242 PolarHBondContact OD1-OG 3.3Å; D237-A243 HydrophobicContact CB-CB 3.88Å; D237-A243 PolarHBondContact O-N 2.95Å
238	A	63.8	Low	60.9	Low	10 Å²	10	54.8 Å²	54.8	8%	0.083	27%	0.271	C	S	.	.	H	α-helix	trans	-62.3	-38.1	169	0	0	0	0	0	112	T234 R241 A243 M246 W254	T234-A238 VanDerWaalsContact O-CB 3.3Å; T234-A238 WeakPolarHBondContact O-CB 3.44Å; T234-A238 PolarHBondContact O-N 2.75Å; A238-R241 PolarHBondContact O-N 2.84Å; A238-A243 HydrophobicContact CB-CB 4.26Å; A238-M246 HydrophobicContact CB-CE 3.63Å; A238-M246 HydrophobicContact CB-SD 4.17Å; A238-W254 HydrophobicContact CB-CH2 4.31Å; A238-W254 HydrophobicContact CB-CZ2 4.21Å
239	Y	61.7	Low	61.3	Low	46 Å²	46	53.6 Å²	53.6	18%	0.18	26%	0.264	C	S	.	.	H	α-helix	trans	-66.7	-41.4	173.2	-176	-110.4	0	0	0	111.8	Y235 V236 D237 R241 R251 W254 W367	Y235-Y239 WeakPolarHBondContact O-CB 3.32Å; Y235-Y239 PolarHBondContact O-N 3.27Å; V236-Y239 CarbonylContact O-C 3.57Å; V236-Y239 WeakPolarHBondContact O-CB 3.42Å; V236-Y239 PolarHBondContact O-N 3.12Å; D237-Y239 VanDerWaalsContact C-N 3.31Å; D237-Y239 PolarHBondContact O-N 3.21Å; Y239-R241 VanDerWaalsContact C-N 3.28Å; Y239-R241 PolarHBondContact O-N 2.71Å; Y239-R251 VanDerWaalsContact O-CD 3.31Å; Y239-R251 WeakPolarHBondContact O-CD 3.45Å; Y239-R251 PolarHBondContact O-NE 3.22Å; Y239-R251 PolarHBondContact O-NH1 2.96Å; Y239-W254 AromaticContact CD2-CZ3 3.96Å; Y239-W254 HydrophobicContact CD2-CZ3 3.96Å; Y239-W367 AromaticContact CE2-CD1 3.84Å
240	R	61	Low	61.7	Low	87 Å²	87	53.6 Å²	53.6	33%	0.328	26%	0.262	S	S	.	.	H	α-helix	trans	-74.8	-14.9	178.2	-72.8	-176.3	-177.7	-164.5	4.3	113.8	V236 D237 S242 V347 N349	V236-R240 HydrophobicContact CG1-CG 4.49Å; V236-R240 WeakPolarHBondContact O-CB 3.32Å; V236-R240 WeakPolarHBondContact O-CG 3.21Å; V236-R240 PolarHBondContact O-N 3.43Å; D237-R240 PolarHBondContact O-N 2.88Å; R240-S242 VanDerWaalsContact C-N 3.33Å; R240-V347 VanDerWaalsContact NH1-CG1 3.33Å; R240-N349 PolarHBondContact NH1-OD1 2.77Å
241	R	61.7	Low	62	Low	205 Å²	205	57.9 Å²	57.9	77%	0.774	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	27.4	-169.8	-50	176.3	174.6	177.9	-4.4	113.2	D237 A238 Y239	D237-R241 PolarHBondContact O-N 3.29Å; A238-R241 PolarHBondContact O-N 2.84Å; Y239-R241 VanDerWaalsContact C-N 3.28Å; Y239-R241 PolarHBondContact O-N 2.71Å
242	S	57.2	Low	62.3	Low	56 Å²	56	60.3 Å²	60.3	39%	0.392	31%	0.305	S	S	.	.			trans	-89.2	-24.7	169.8	37	0	0	0	0	112.5	D237 R240	D237-S242 WeakPolarHBondContact CA-OG 3.17Å; D237-S242 VanDerWaalsContact CB-OG 3.28Å; D237-S242 WeakPolarHBondContact CB-OG 3.34Å; D237-S242 PolarHBondContact O-N 2.56Å; D237-S242 PolarHBondContact O-OG 2.85Å; D237-S242 PolarHBondContact OD1-OG 3.3Å; R240-S242 VanDerWaalsContact C-N 3.33Å
243	A	55.1	Low	62.4	Low	37 Å²	37	63.9 Å²	63.9	31%	0.306	32%	0.321	S	S	.	.	S	Bend	trans	-76.8	161.3	177.9	0	0	0	0	0	113.7	D237 A238	D237-A243 HydrophobicContact CB-CB 3.88Å; D237-A243 PolarHBondContact O-N 2.95Å; A238-A243 HydrophobicContact CB-CB 4.26Å
244	Y	55.8	Low	62.6	Low	222 Å²	222	63.7 Å²	63.7	87%	0.871	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-59.5	158.1	167.3	-69.8	-87.9	0	0	0	112.3	M246	Y244-M246 PolarHBondContact O-N 3.06Å
245	D	61.2	Low	61.9	Low	134 Å²	134	64.4 Å²	64.4	72%	0.717	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-64.1	117.6	176.6	-171.6	4.4	0	0	0	111.1	G247 S250	D245-G247 PolarHBondContact O-N 2.71Å; D245-G247 PolarHBondContact OD1-N 3.31Å; D245-S250 WeakPolarHBondContact OD1-CB 3.46Å; D245-S250 PolarHBondContact OD1-OG 2.84Å
246	M	66.6	Low	61.3	Low	35 Å²	35	69.1 Å²	69.1	17%	0.172	35%	0.349	C	S	.	.			trans	-86.2	17.4	174.7	-54.6	-168.2	-53.6	0	0	112.2	I230 T234 A238 Y244 E248 F249 S250 W254 L319	I230-M246 HydrophobicContact CD1-CE 4.13Å; I230-M246 HydrophobicContact CD1-SD 4.2Å; T234-M246 HydrophobicContact CG2-SD 4.48Å; A238-M246 HydrophobicContact CB-CE 3.63Å; A238-M246 HydrophobicContact CB-SD 4.17Å; Y244-M246 PolarHBondContact O-N 3.06Å; M246-E248 PolarHBondContact O-N 3.08Å; M246-F249 HydrophobicContact CB-CB 4.17Å; M246-F249 WeakPolarHBondContact CE-O 3.39Å; M246-F249 PolarHBondContact O-N 3.27Å; M246-F249 VanDerWaalsContact O-N 3.08Å; M246-S250 PolarHBondContact N-OG 2.78Å; M246-W254 HydrophobicContact CE-CZ2 4.16Å; M246-L319 HydrophobicContact CE-CD2 4.14Å
247	G	70.1	Confident	61.2	Low	35 Å²	35	70.7 Å²	70.7	36%	0.361	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	58.8	-124.4	177.9	0	0	0	0	0	111.8	D245 F249 S250 H253	D245-G247 PolarHBondContact O-N 2.71Å; D245-G247 PolarHBondContact OD1-N 3.31Å; G247-F249 PolarHBondContact O-N 2.89Å; G247-S250 VanDerWaalsContact O-CB 3.28Å; G247-S250 WeakPolarHBondContact O-CB 3.48Å; G247-S250 PolarHBondContact O-N 3.49Å; G247-H253 PolarHBondContact O-CD2 2.96Å
248	E	64.3	Low	60.9	Low	101 Å²	101	69.9 Å²	69.9	47%	0.472	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-65.2	-10	-179.8	-58.9	-156.3	161.3	0	0	114.4	M246 H253 V258 R317	M246-E248 PolarHBondContact O-N 3.08Å; E248-H253 VanDerWaalsContact O-CB 3.31Å; E248-H253 WeakPolarHBondContact O-CB 3.4Å; E248-V258 WeakPolarHBondContact O-CG2 3.26Å; E248-R317 VanDerWaalsContact CD-NH2 3.3Å; E248-R317 PolarHBondContact O-NH1 3.22Å; E248-R317 IonicContact OE1-NH2 3.22Å; E248-R317 IonicContact OE2-CZ 2.72Å; E248-R317 IonicContact OE2-NE 3.57Å; E248-R317 PolarHBondContact OE2-NE 3.06Å; E248-R317 IonicContact OE2-NH1 3.46Å; E248-R317 IonicContact OE2-NH2 2.72Å; E248-R317 PolarHBondContact OE2-NH2 2.78Å
249	F	63	Low	60.5	Low	17 Å²	17	70.3 Å²	70.3	8%	0.075	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-100	4.1	171.5	-67.4	-88.8	0	0	0	113.9	E226 M228 M246 G247 W254 V258 R317 V318 L319	E226-F249 HydrophobicContact CB-CZ 3.96Å; E226-F249 WeakPolarHBondContact O-CZ 3.33Å; M228-F249 HydrophobicContact CB-CD1 3.99Å; M228-F249 HydrophobicContact CB-CD2 4.33Å; M228-F249 HydrophobicContact CB-CE1 3.84Å; M228-F249 HydrophobicContact CB-CE2 4.2Å; M228-F249 HydrophobicContact CB-CG 4.24Å; M228-F249 HydrophobicContact CB-CZ 3.95Å; M228-F249 HydrophobicContact SD-CB 4.05Å; M228-F249 HydrophobicContact SD-CD2 4.07Å; M228-F249 HydrophobicContact SD-CG 3.96Å; M246-F249 HydrophobicContact CB-CB 4.17Å; M246-F249 WeakPolarHBondContact CE-O 3.39Å; M246-F249 PolarHBondContact O-N 3.27Å; M246-F249 VanDerWaalsContact O-N 3.08Å; G247-F249 PolarHBondContact O-N 2.89Å; F249-W254 PolarHBondContact O-NE1 3.15Å; F249-V258 HydrophobicContact CD1-CG1 3.86Å; F249-V258 HydrophobicContact CD1-CG2 4.22Å; F249-V258 HydrophobicContact CE1-CG1 4.35Å; F249-R317 HydrophobicContact CE1-CB 3.92Å; F249-R317 HydrophobicContact CZ-CB 4.11Å; F249-V318 WeakPolarHBondContact CE1-O 3.19Å; F249-L319 HydrophobicContact CD1-CB 4.24Å; F249-L319 HydrophobicContact CD1-CD1 4.18Å
250	S	69.6	Low	60.2	Low	24 Å²	24	69.7 Å²	69.7	17%	0.168	36%	0.361	C	S	.	.	S	Bend	trans	-66.3	156.9	176.1	-92.1	0	0	0	0	113.3	D245 M246 G247 G252 H253	D245-S250 WeakPolarHBondContact OD1-CB 3.46Å; D245-S250 PolarHBondContact OD1-OG 2.84Å; M246-S250 PolarHBondContact N-OG 2.78Å; G247-S250 VanDerWaalsContact O-CB 3.28Å; G247-S250 WeakPolarHBondContact O-CB 3.48Å; G247-S250 PolarHBondContact O-N 3.49Å; S250-G252 PolarHBondContact O-N 3.12Å; S250-H253 PolarHBondContact O-N 2.63Å
251	R	65.7	Low	59.9	Low	94 Å²	94	66.5 Å²	66.5	36%	0.355	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-21.8	-172.3	-168.4	-175	176.4	-159.7	-4.9	115.4	Y239 W254	Y239-R251 VanDerWaalsContact O-CD 3.31Å; Y239-R251 WeakPolarHBondContact O-CD 3.45Å; Y239-R251 PolarHBondContact O-NE 3.22Å; Y239-R251 PolarHBondContact O-NH1 2.96Å; R251-W254 HydrophobicContact CB-CD2 4.45Å; R251-W254 HydrophobicContact CB-CZ2 4.48Å; R251-W254 HydrophobicContact CG-CD2 4.33Å; R251-W254 HydrophobicContact CG-CE3 4.03Å; R251-W254 HydrophobicContact CG-CH2 4.48Å; R251-W254 HydrophobicContact CG-CZ3 4.13Å
252	G	66.1	Low	59.3	Low	57 Å²	57	58.4 Å²	58.4	59%	0.588	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-20.3	174.6	0	0	0	0	0	115.1	S250 N256	S250-G252 PolarHBondContact O-N 3.12Å; G252-N256 PolarHBondContact O-ND2 3.08Å; G252-N256 VanDerWaalsContact O-ND2 3.12Å
253	H	61.4	Low	58.9	Low	81 Å²	81	55.8 Å²	55.8	38%	0.375	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-13.6	-178.3	-64	-63.7	0	0	0	113.9	G247 E248 S250 N256 S257 V258	G247-H253 PolarHBondContact O-CD2 2.96Å; E248-H253 VanDerWaalsContact O-CB 3.31Å; E248-H253 WeakPolarHBondContact O-CB 3.4Å; S250-H253 PolarHBondContact O-N 2.63Å; H253-N256 PolarHBondContact O-N 2.98Å; H253-S257 PolarHBondContact O-N 2.79Å; H253-S257 PolarHBondContact O-OG 2.97Å; H253-V258 HydrophobicContact CB-CG2 3.96Å; H253-V258 PolarHBondContact O-N 3.34Å
254	W	62.9	Low	58.7	Low	4 Å²	4	57.3 Å²	57.3	2%	0.015	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-55.9	148.2	166.5	-55.7	1.8	0	0	0	108.5	Y235 A238 Y239 M246 F249 R251 N256 V258 V260 L319	Y235-W254 AromaticContact CD2-CH2 3.61Å; Y235-W254 HydrophobicContact CD2-CH2 3.61Å; Y235-W254 HydrophobicContact CD2-CZ2 4.24Å; Y235-W254 HydrophobicContact CD2-CZ3 4.17Å; Y235-W254 HydrophobicContact CE2-CE3 4.36Å; Y235-W254 AromaticContact CE2-CH2 3.33Å; Y235-W254 HydrophobicContact CE2-CH2 3.33Å; Y235-W254 HydrophobicContact CE2-CZ2 4.21Å; Y235-W254 AromaticContact CE2-CZ3 3.41Å; Y235-W254 HydrophobicContact CE2-CZ3 3.41Å; Y235-W254 VanDerWaalsContact CE2-CZ3 3.41Å; A238-W254 HydrophobicContact CB-CH2 4.31Å; A238-W254 HydrophobicContact CB-CZ2 4.21Å; Y239-W254 AromaticContact CD2-CZ3 3.96Å; Y239-W254 HydrophobicContact CD2-CZ3 3.96Å; M246-W254 HydrophobicContact CE-CZ2 4.16Å; F249-W254 PolarHBondContact O-NE1 3.15Å; R251-W254 HydrophobicContact CB-CD2 4.45Å; R251-W254 HydrophobicContact CB-CZ2 4.48Å; R251-W254 HydrophobicContact CG-CD2 4.33Å; R251-W254 HydrophobicContact CG-CE3 4.03Å; R251-W254 HydrophobicContact CG-CH2 4.48Å; R251-W254 HydrophobicContact CG-CZ3 4.13Å; W254-N256 PolarHBondContact O-N 2.96Å; W254-V258 WeakPolarHBondContact CA-O 3.24Å; W254-V260 HydrophobicContact CB-CG2 4.36Å; W254-V260 HydrophobicContact CD2-CG2 3.78Å; W254-V260 HydrophobicContact CE3-CG2 4.08Å; W254-V260 HydrophobicContact CG-CG2 3.87Å; W254-L319 HydrophobicContact CZ2-CD2 3.82Å
255	D	49.2	Very low	58.2	Low	52 Å²	52	48.4 Å²	48.4	28%	0.278	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	-42.5	-175.6	-40.6	2.3	0	0	0	113.4	V258 R388 Q389	D255-V258 PolarHBondContact N-O 3.24Å; D255-R388 HydrophobicContact CB-CB 4.36Å; D255-Q389 VanDerWaalsContact CG-CG 3.45Å; D255-Q389 WeakPolarHBondContact OD1-CA 3.46Å; D255-Q389 VanDerWaalsContact OD1-CB 3.22Å; D255-Q389 WeakPolarHBondContact OD1-CB 3.36Å; D255-Q389 WeakPolarHBondContact OD1-CG 3.49Å; D255-Q389 PolarHBondContact OD1-NE2 3.32Å; D255-Q389 VanDerWaalsContact OD2-CG 3.27Å; D255-Q389 WeakPolarHBondContact OD2-CG 3.1Å; D255-Q389 PolarHBondContact OD2-N 2.88Å; D255-Q389 PolarHBondContact OD2-NE2 3.32Å
256	N	50	Low	57.2	Low	130 Å²	130	43.5 Å²	43.5	70%	0.695	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-39.4	-171.2	-62.5	-49.8	0	0	0	112.6	G252 H253 W254	G252-N256 PolarHBondContact O-ND2 3.08Å; G252-N256 VanDerWaalsContact O-ND2 3.12Å; H253-N256 PolarHBondContact O-N 2.98Å; W254-N256 PolarHBondContact O-N 2.96Å
257	S	56.3	Low	55.8	Low	36 Å²	36	50 Å²	50	25%	0.252	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.4	-21	-175.6	51.9	0	0	0	0	114.1	H253 R317	H253-S257 PolarHBondContact O-N 2.79Å; H253-S257 PolarHBondContact O-OG 2.97Å; S257-R317 WeakPolarHBondContact O-CB 3.46Å; S257-R317 PolarHBondContact O-N 2.8Å; S257-R317 PolarHBondContact OG-NH1 3.21Å
258	V	55.9	Low	54	Low	4 Å²	4	53.7 Å²	53.7	2%	0.024	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.2	-180	-177.1	0	0	0	0	109.9	E248 F249 H253 W254 D255 R317 L319	E248-V258 WeakPolarHBondContact O-CG2 3.26Å; F249-V258 HydrophobicContact CD1-CG1 3.86Å; F249-V258 HydrophobicContact CD1-CG2 4.22Å; F249-V258 HydrophobicContact CE1-CG1 4.35Å; H253-V258 HydrophobicContact CB-CG2 3.96Å; H253-V258 PolarHBondContact O-N 3.34Å; W254-V258 WeakPolarHBondContact CA-O 3.24Å; D255-V258 PolarHBondContact N-O 3.24Å; V258-R317 WeakPolarHBondContact CA-O 3.29Å; V258-R317 HydrophobicContact CB-CB 4.41Å; V258-R317 HydrophobicContact CG2-CB 3.9Å; V258-L319 HydrophobicContact CG1-CB 3.76Å
259	A	55.4	Low	52.7	Low	20 Å²	20	51 Å²	51	17%	0.165	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	133.8	166.8	0	0	0	0	0	110.2	P315 R317 V318 L319	A259-P315 HydrophobicContact CB-CB 3.64Å; A259-P315 HydrophobicContact CB-CG 3.76Å; A259-R317 PolarHBondContact N-O 3.16Å; A259-V318 CarbonylContact O-C 3.54Å; A259-V318 WeakPolarHBondContact O-CA 3.44Å; A259-L319 PolarHBondContact O-N 2.83Å
260	V	55.2	Low	51.6	Low	32 Å²	32	52.2 Å²	52.2	19%	0.194	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128.6	-179.4	-173.8	0	0	0	0	109.9	Y235 W254 L319 V321	Y235-V260 HydrophobicContact CD2-CG1 4.22Å; Y235-V260 HydrophobicContact CE2-CG1 3.7Å; W254-V260 HydrophobicContact CB-CG2 4.36Å; W254-V260 HydrophobicContact CD2-CG2 3.78Å; W254-V260 HydrophobicContact CE3-CG2 4.08Å; W254-V260 HydrophobicContact CG-CG2 3.87Å; V260-L319 WeakPolarHBondContact CA-O 3.38Å; V260-L319 HydrophobicContact CG2-CB 4.34Å; V260-L319 HydrophobicContact CG2-CD2 4.33Å; V260-V321 HydrophobicContact CG1-CG2 3.59Å
261	I	54.3	Low	50.2	Low	21 Å²	21	54.1 Å²	54.1	11%	0.108	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	122	-169.1	-51.4	173.1	0	0	0	111.3	T276 L280 V318 L319 F320 V321	I261-T276 HydrophobicContact CD1-CG2 4.46Å; I261-T276 HydrophobicContact CG2-CG2 3.96Å; I261-L280 HydrophobicContact CD1-CD1 3.46Å; I261-L280 VanDerWaalsContact CD1-CD1 3.46Å; I261-L280 HydrophobicContact CD1-CD2 3.53Å; I261-L280 HydrophobicContact CD1-CG 3.99Å; I261-V318 HydrophobicContact CD1-CG1 3.6Å; I261-V318 HydrophobicContact CG1-CG1 4.36Å; I261-L319 PolarHBondContact N-O 3.49Å; I261-F320 HydrophobicContact CB-CD1 4.01Å; I261-F320 HydrophobicContact CB-CE1 4.31Å; I261-F320 HydrophobicContact CD1-CD1 4.37Å; I261-F320 HydrophobicContact CD1-CE1 3.9Å; I261-F320 HydrophobicContact CG2-CD1 4.36Å; I261-F320 HydrophobicContact CG2-CE1 4.45Å; I261-F320 CarbonylContact O-C 3.25Å; I261-F320 WeakPolarHBondContact O-CA 3.29Å; I261-V321 PolarHBondContact O-N 3.31Å
262	P	49.7	Very low	49.2	Very low	34 Å²	34	52.9 Å²	52.9	22%	0.221	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	120.3	175.7	30.8	-32.5	0	0	0	111.9	V321 V323 L400 R407	P262-V321 CarbonylContact C-O 3.57Å; P262-V321 WeakPolarHBondContact CA-O 3.42Å; P262-V323 HydrophobicContact CB-CG1 3.47Å; P262-V323 VanDerWaalsContact CB-CG1 3.47Å; P262-L400 VanDerWaalsContact CD-CD1 3.45Å; P262-L400 HydrophobicContact CG-CD1 4.28Å; P262-R407 PolarHBondContact O-NH1 3.17Å
263	V	50	Low	47.9	Very low	2 Å²	2	52 Å²	52	1%	0.012	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	140.1	176.9	-169	0	0	0	0	109.7	W271 L272 I273 F320 V321 L322 V323	V263-W271 HydrophobicContact CG1-CE3 4.34Å; V263-W271 WeakPolarHBondContact O-CZ3 3.38Å; V263-L272 HydrophobicContact CG1-CB 4.38Å; V263-I273 HydrophobicContact CG1-CG1 4.06Å; V263-I273 HydrophobicContact CG2-CG1 4.36Å; V263-F320 HydrophobicContact CG2-CB 4.02Å; V263-F320 HydrophobicContact CG2-CD1 3.38Å; V263-F320 HydrophobicContact CG2-CE1 4.15Å; V263-F320 HydrophobicContact CG2-CG 4.05Å; V263-V321 PolarHBondContact N-O 3.43Å; V263-L322 HydrophobicContact CB-CD2 4.46Å; V263-V323 PolarHBondContact O-N 3.46Å
264	R	49.1	Very low	46.7	Very low	68 Å²	68	52.2 Å²	52.2	26%	0.257	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-103.6	161	171.1	-80.8	-149.8	148.7	125.7	7	112.4	V323 D324	R264-V323 HydrophobicContact CG-CG2 3.58Å; R264-D324 WeakPolarHBondContact CA-OD2 3.46Å; R264-D324 WeakPolarHBondContact CB-OD2 3.37Å; R264-D324 WeakPolarHBondContact CD-OD2 3.38Å; R264-D324 WeakPolarHBondContact CG-OD2 3.41Å; R264-D324 IonicContact CZ-OD1 3.05Å; R264-D324 IonicContact NE-OD1 3.38Å; R264-D324 PolarHBondContact NE-OD1 3.27Å; R264-D324 IonicContact NE-OD2 2.77Å; R264-D324 PolarHBondContact NE-OD2 3.37Å; R264-D324 IonicContact NH2-OD1 3.58Å; R264-D324 PolarHBondContact NH2-OD1 3.49Å
265	V	45.3	Very low	45.7	Very low	36 Å²	36	56.1 Å²	56.1	22%	0.218	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-69.9	137.2	158.3	-169.2	0	0	0	0	108.1	G269 W271 D324	V265-G269 WeakPolarHBondContact CG1-O 3.34Å; V265-W271 HydrophobicContact CG2-CD2 3.92Å; V265-W271 HydrophobicContact CG2-CE3 3.88Å; V265-W271 HydrophobicContact CG2-CH2 3.36Å; V265-W271 HydrophobicContact CG2-CZ2 3.4Å; V265-W271 VanDerWaalsContact CG2-CZ2 3.4Å; V265-W271 HydrophobicContact CG2-CZ3 3.61Å; V265-D324 HydrophobicContact CG2-CB 4.13Å; V265-D324 PolarHBondContact N-OD2 3.2Å
266	S	40.2	Very low	45.4	Very low	30 Å²	30	54.8 Å²	54.8	21%	0.21	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-71.3	166.4	163.8	74.5	0	0	0	0	111	Q268 G269 N270	S266-Q268 PolarHBondContact O-N 3.4Å; S266-Q268 PolarHBondContact OG-N 2.89Å; S266-G269 PolarHBondContact O-N 3.3Å; S266-N270 WeakPolarHBondContact CB-O 3.34Å; S266-N270 PolarHBondContact N-O 3.44Å; S266-N270 PolarHBondContact OG-N 3.12Å; S266-N270 PolarHBondContact OG-O 3.01Å
267	D	39	Very low	45.2	Very low	172 Å²	172	51.1 Å²	51.1	92%	0.92	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-14.7	177.9	-62.8	-32	0	0	0	113.5
268	Q	32.3	Very low	44.5	Very low	112 Å²	112	50 Å²	50	52%	0.523	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	2.2	176.4	-67.7	177.8	-18.5	0	0	114.3	N171 S266	N171-Q268 PolarHBondContact ND2-OE1 3.1Å; N171-Q268 VanDerWaalsContact ND2-OE1 3.14Å; S266-Q268 PolarHBondContact O-N 3.4Å; S266-Q268 PolarHBondContact OG-N 2.89Å
269	G	36.3	Very low	44	Very low	46 Å²	46	54.6 Å²	54.6	47%	0.474	29%	0.293	S	S	.	.	S	Bend	trans	91.9	-1.7	-177	0	0	0	0	0	115.3	V265 S266	V265-G269 WeakPolarHBondContact CG1-O 3.34Å; S266-G269 PolarHBondContact O-N 3.3Å
270	N	39.1	Very low	43.5	Very low	41 Å²	41	55.3 Å²	55.3	22%	0.219	29%	0.294	C	S	.	.			trans	-94.8	127.3	-172.9	-72.3	-38.4	0	0	0	112.7	W164 S266	W164-N270 WeakPolarHBondContact CH2-OD1 3.47Å; W164-N270 VanDerWaalsContact CZ3-OD1 3.28Å; W164-N270 WeakPolarHBondContact CZ3-OD1 3.23Å; S266-N270 WeakPolarHBondContact CB-O 3.34Å; S266-N270 PolarHBondContact N-O 3.44Å; S266-N270 PolarHBondContact OG-N 3.12Å; S266-N270 PolarHBondContact OG-O 3.01Å
271	W	41.6	Very low	43	Very low	65 Å²	65	54.2 Å²	54.2	25%	0.246	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-74.2	126.3	173.1	-62.1	97.6	0	0	0	111	V263 V265 I273 L322 D324 A325	V263-W271 HydrophobicContact CG1-CE3 4.34Å; V263-W271 WeakPolarHBondContact O-CZ3 3.38Å; V265-W271 HydrophobicContact CG2-CD2 3.92Å; V265-W271 HydrophobicContact CG2-CE3 3.88Å; V265-W271 HydrophobicContact CG2-CH2 3.36Å; V265-W271 HydrophobicContact CG2-CZ2 3.4Å; V265-W271 VanDerWaalsContact CG2-CZ2 3.4Å; V265-W271 HydrophobicContact CG2-CZ3 3.61Å; W271-I273 HydrophobicContact CB-CD1 3.99Å; W271-I273 HydrophobicContact CB-CG1 4.1Å; W271-I273 PolarHBondContact O-N 3.03Å; W271-L322 HydrophobicContact CD2-CD2 3.98Å; W271-L322 HydrophobicContact CE3-CB 4.3Å; W271-L322 HydrophobicContact CE3-CD2 3.71Å; W271-L322 HydrophobicContact CE3-CG 4.49Å; W271-L322 HydrophobicContact CH2-CB 3.63Å; W271-L322 HydrophobicContact CH2-CG 4.44Å; W271-L322 HydrophobicContact CZ2-CB 4.16Å; W271-L322 HydrophobicContact CZ2-CD1 4.33Å; W271-L322 HydrophobicContact CZ3-CB 3.69Å; W271-L322 HydrophobicContact CZ3-CD2 4Å; W271-L322 HydrophobicContact CZ3-CG 4.36Å; W271-D324 HydrophobicContact CH2-CB 4.2Å; W271-A325 HydrophobicContact CH2-CB 3.8Å; W271-A325 HydrophobicContact CZ2-CB 3.9Å
272	L	43.6	Very low	42.6	Very low	68 Å²	68	54.3 Å²	54.3	36%	0.356	29%	0.29	S	S	.	.			trans	-73.2	21.4	-175	-61.8	173.8	0	0	0	115.1	V263 Y275 T276	V263-L272 HydrophobicContact CG1-CB 4.38Å; L272-Y275 PolarHBondContact O-N 3.36Å; L272-T276 PolarHBondContact O-N 3.26Å; L272-T276 VanDerWaalsContact O-N 3.13Å; L272-T276 PolarHBondContact O-OG1 2.86Å; L272-T276 VanDerWaalsContact O-OG1 3.05Å
273	I	40	Very low	42.2	Very low	38 Å²	38	57 Å²	57	20%	0.195	30%	0.296	C	S	.	.	H	α-helix	trans	-54	-47.8	-176.8	-63.9	166.6	0	0	0	112.7	A229 V263 W271 Y275 T276 F277 F320 L322	A229-I273 HydrophobicContact CB-CD1 4.49Å; V263-I273 HydrophobicContact CG1-CG1 4.06Å; V263-I273 HydrophobicContact CG2-CG1 4.36Å; W271-I273 HydrophobicContact CB-CD1 3.99Å; W271-I273 HydrophobicContact CB-CG1 4.1Å; W271-I273 PolarHBondContact O-N 3.03Å; I273-Y275 PolarHBondContact O-N 3.32Å; I273-T276 PolarHBondContact O-N 3.03Å; I273-F277 VanDerWaalsContact O-CB 3.27Å; I273-F277 WeakPolarHBondContact O-CB 3.17Å; I273-F277 PolarHBondContact O-N 2.84Å; I273-F320 HydrophobicContact CG1-CG 4.47Å; I273-F320 HydrophobicContact CG2-CD2 3.9Å; I273-F320 HydrophobicContact CG2-CE2 3.62Å; I273-F320 HydrophobicContact CG2-CZ 3.99Å; I273-L322 HydrophobicContact CD1-CD2 4.16Å
274	P	35.6	Very low	41.9	Very low	86 Å²	86	57.9 Å²	57.9	56%	0.558	30%	0.301	S	S	*	.	H	α-helix	trans	-63.3	-42.7	-175.2	-23	35	0	0	0	113.1	F277 A278	P274-F277 PolarHBondContact O-N 3.08Å; P274-A278 PolarHBondContact O-N 3.25Å
275	Y	42.6	Very low	41.8	Very low	86 Å²	86	58.3 Å²	58.3	34%	0.337	30%	0.304	S	S	.	.	H	α-helix	trans	-63.3	-49	176.7	-178.5	-93.2	0	0	0	111	D174 L272 I273 F277 A278 H279	D174-Y275 HydrophobicContact CB-CE2 4.47Å; L272-Y275 PolarHBondContact O-N 3.36Å; I273-Y275 PolarHBondContact O-N 3.32Å; Y275-F277 VanDerWaalsContact C-N 3.25Å; Y275-F277 PolarHBondContact O-N 2.91Å; Y275-A278 PolarHBondContact O-N 2.86Å; Y275-H279 AromaticContact CE1-CD2 3.89Å; Y275-H279 AromaticContact CE2-CD2 3.89Å; Y275-H279 AromaticContact CE2-NE2 3.54Å; Y275-H279 AromaticContact CZ-CD2 3.75Å; Y275-H279 AromaticContact CZ-NE2 3.66Å; Y275-H279 PolarHBondContact O-CD2 3.4Å; Y275-H279 VanDerWaalsContact O-CD2 3.28Å; Y275-H279 PolarHBondContact O-N 3.37Å
276	T	43	Very low	41.7	Very low	24 Å²	24	57.3 Å²	57.3	15%	0.147	30%	0.298	C	S	.	.	H	α-helix	trans	-58.9	-38.9	176.2	-51.5	0	0	0	0	111.6	I261 L272 I273 L280 F320	I261-T276 HydrophobicContact CD1-CG2 4.46Å; I261-T276 HydrophobicContact CG2-CG2 3.96Å; L272-T276 PolarHBondContact O-N 3.26Å; L272-T276 VanDerWaalsContact O-N 3.13Å; L272-T276 PolarHBondContact O-OG1 2.86Å; L272-T276 VanDerWaalsContact O-OG1 3.05Å; I273-T276 PolarHBondContact O-N 3.03Å; T276-L280 WeakPolarHBondContact O-CG 3.15Å; T276-L280 PolarHBondContact O-N 3.03Å; T276-F320 HydrophobicContact CG2-CE1 3.91Å
277	F	44.5	Very low	41.8	Very low	52 Å²	52	59 Å²	59	23%	0.228	31%	0.314	C	S	.	.	H	α-helix	trans	-70.2	-41.2	-179.4	-166.8	-104.3	0	0	0	113.2	V225 A227 I273 P274 Y275 H279 L280 I284 V318 F320	V225-F277 HydrophobicContact CB-CE2 4.22Å; V225-F277 HydrophobicContact CB-CZ 3.88Å; V225-F277 HydrophobicContact CG1-CE2 3.67Å; V225-F277 HydrophobicContact CG1-CZ 3.87Å; A227-F277 HydrophobicContact CB-CD2 4.48Å; A227-F277 HydrophobicContact CB-CE2 3.94Å; I273-F277 VanDerWaalsContact O-CB 3.27Å; I273-F277 WeakPolarHBondContact O-CB 3.17Å; I273-F277 PolarHBondContact O-N 2.84Å; P274-F277 PolarHBondContact O-N 3.08Å; Y275-F277 VanDerWaalsContact C-N 3.25Å; Y275-F277 PolarHBondContact O-N 2.91Å; F277-H279 VanDerWaalsContact C-N 3.27Å; F277-H279 PolarHBondContact O-N 3.43Å; F277-L280 HydrophobicContact CD2-CD1 4.34Å; F277-L280 PolarHBondContact O-N 2.72Å; F277-I284 HydrophobicContact CD1-CD1 4.19Å; F277-I284 HydrophobicContact CE1-CD1 3.94Å; F277-I284 HydrophobicContact CZ-CD1 4.31Å; F277-V318 HydrophobicContact CE2-CG2 4.49Å; F277-F320 HydrophobicContact CB-CZ 4.2Å; F277-F320 HydrophobicContact CD2-CE2 4.08Å; F277-F320 AromaticContact CD2-CZ 3.98Å; F277-F320 HydrophobicContact CD2-CZ 3.98Å
278	A	41.4	Very low	42.2	Very low	13 Å²	13	57.1 Å²	57.1	11%	0.107	30%	0.299	C	S	.	.	H	α-helix	trans	-58.2	-38.5	177.4	0	0	0	0	0	112.6	P274 Y275	P274-A278 PolarHBondContact O-N 3.25Å; Y275-A278 PolarHBondContact O-N 2.86Å
279	H	46.3	Very low	42.8	Very low	100 Å²	100	52.9 Å²	52.9	46%	0.463	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-4.8	-179.1	-66.5	-65.5	0	0	0	115.1	Y275 F277 T281 F285	Y275-H279 AromaticContact CE1-CD2 3.89Å; Y275-H279 AromaticContact CE2-CD2 3.89Å; Y275-H279 AromaticContact CE2-NE2 3.54Å; Y275-H279 AromaticContact CZ-CD2 3.75Å; Y275-H279 AromaticContact CZ-NE2 3.66Å; Y275-H279 PolarHBondContact O-CD2 3.4Å; Y275-H279 VanDerWaalsContact O-CD2 3.28Å; Y275-H279 PolarHBondContact O-N 3.37Å; F277-H279 VanDerWaalsContact C-N 3.27Å; F277-H279 PolarHBondContact O-N 3.43Å; H279-T281 VanDerWaalsContact C-N 3.29Å; H279-T281 PolarHBondContact O-N 3.39Å; H279-F285 AromaticContact CE1-CD2 3.85Å; H279-F285 AromaticContact CE1-CE2 3.83Å
280	L	44	Very low	43	Very low	35 Å²	35	53.1 Å²	53.1	18%	0.183	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-25.4	-179	-89.9	168.2	0	0	0	114.3	I261 T276 F277 P315 V318 F320	I261-L280 HydrophobicContact CD1-CD1 3.46Å; I261-L280 VanDerWaalsContact CD1-CD1 3.46Å; I261-L280 HydrophobicContact CD1-CD2 3.53Å; I261-L280 HydrophobicContact CD1-CG 3.99Å; T276-L280 WeakPolarHBondContact O-CG 3.15Å; T276-L280 PolarHBondContact O-N 3.03Å; F277-L280 HydrophobicContact CD2-CD1 4.34Å; F277-L280 PolarHBondContact O-N 2.72Å; L280-P315 HydrophobicContact CD2-CG 4.17Å; L280-V318 HydrophobicContact CD1-CB 4.47Å; L280-V318 HydrophobicContact CD1-CG1 3.79Å; L280-V318 HydrophobicContact CD1-CG2 3.83Å; L280-F320 HydrophobicContact CD1-CE1 4.43Å; L280-F320 HydrophobicContact CD1-CZ 4.17Å
281	T	45.3	Very low	43.3	Very low	9 Å²	9	52 Å²	52	6%	0.055	27%	0.269	C	S	.	.			trans	-146	134.9	174.9	102.2	0	0	0	0	108.2	H279 R283 I284	H279-T281 VanDerWaalsContact C-N 3.29Å; H279-T281 PolarHBondContact O-N 3.39Å; T281-R283 PolarHBondContact O-N 3.37Å; T281-R283 VanDerWaalsContact O-N 3.14Å; T281-R283 WeakPolarHBondContact OG1-CB 3.38Å; T281-R283 PolarHBondContact OG1-N 2.85Å; T281-I284 HydrophobicContact CG2-CD1 4.04Å; T281-I284 PolarHBondContact O-N 3.26Å; T281-I284 PolarHBondContact OG1-N 3.41Å
282	S	44.9	Very low	43.5	Very low	24 Å²	24	50.8 Å²	50.8	17%	0.168	27%	0.267	C	S	.	.	H	α-helix	trans	-63.1	-23.4	177.1	67.7	0	0	0	0	111.7	I284 F285 N286 S310 I312	S282-I284 PolarHBondContact O-N 2.9Å; S282-F285 PolarHBondContact O-N 3.42Å; S282-N286 WeakPolarHBondContact O-CB 3.34Å; S282-N286 PolarHBondContact O-N 3.36Å; S282-N286 PolarHBondContact O-OD1 2.85Å; S282-S310 WeakPolarHBondContact CB-O 3.46Å; S282-S310 PolarHBondContact OG-O 3.21Å; S282-I312 PolarHBondContact N-O 2.85Å; S282-I312 PolarHBondContact OG-N 3.02Å
283	R	42	Very low	43.7	Very low	90 Å²	90	48.3 Å²	48.3	34%	0.34	26%	0.256	S	S	.	.	H	α-helix	trans	-58.2	-29.9	173	-72.4	175.4	166	-159.2	-2.8	114.2	Y223 T281 A287 V311	Y223-R283 HydrophobicContact CD2-CB 3.76Å; Y223-R283 HydrophobicContact CE1-CB 4.33Å; Y223-R283 HydrophobicContact CE1-CG 4.14Å; Y223-R283 HydrophobicContact CE2-CB 3.57Å; Y223-R283 HydrophobicContact CE2-CG 4.05Å; Y223-R283 HydrophobicContact CG-CB 4.22Å; T281-R283 PolarHBondContact O-N 3.37Å; T281-R283 VanDerWaalsContact O-N 3.14Å; T281-R283 WeakPolarHBondContact OG1-CB 3.38Å; T281-R283 PolarHBondContact OG1-N 2.85Å; R283-A287 WeakPolarHBondContact O-CB 3.44Å; R283-A287 PolarHBondContact O-N 3Å; R283-V311 HydrophobicContact CG-CG1 3.83Å
284	I	44.6	Very low	44	Very low	21 Å²	21	46.9 Å²	46.9	11%	0.108	25%	0.249	C	C	.	.	H	α-helix	trans	-79.6	-49.8	176.2	-62.2	169.8	0	0	0	109.3	V225 F277 T281 S282 N286 A287 Q288	V225-I284 HydrophobicContact CG2-CD1 4.43Å; F277-I284 HydrophobicContact CD1-CD1 4.19Å; F277-I284 HydrophobicContact CE1-CD1 3.94Å; F277-I284 HydrophobicContact CZ-CD1 4.31Å; T281-I284 HydrophobicContact CG2-CD1 4.04Å; T281-I284 PolarHBondContact O-N 3.26Å; T281-I284 PolarHBondContact OG1-N 3.41Å; S282-I284 PolarHBondContact O-N 2.9Å; I284-N286 PolarHBondContact O-N 3.41Å; I284-A287 PolarHBondContact O-N 2.84Å; I284-Q288 PolarHBondContact O-N 3.02Å
285	F	47.3	Very low	44.6	Very low	77 Å²	77	44.6 Å²	44.6	34%	0.338	23%	0.233	S	C	.	.	H	α-helix	trans	-54.5	-47.9	176.2	-175.2	-96.6	0	0	0	113	H279 S282 A287 Q288 T289 A307	H279-F285 AromaticContact CE1-CD2 3.85Å; H279-F285 AromaticContact CE1-CE2 3.83Å; S282-F285 PolarHBondContact O-N 3.42Å; F285-A287 VanDerWaalsContact C-N 3.29Å; F285-A287 PolarHBondContact O-N 3.09Å; F285-Q288 PolarHBondContact O-N 2.9Å; F285-Q288 VanDerWaalsContact O-N 3.07Å; F285-T289 PolarHBondContact O-N 2.6Å; F285-T289 PolarHBondContact O-OG1 2.98Å; F285-A307 HydrophobicContact CE1-CB 4Å
286	N	42.5	Very low	44.8	Very low	15 Å²	15	46 Å²	46	8%	0.08	24%	0.238	C	C	.	.	H	α-helix	trans	-67.2	-29.1	-178.6	-61	8	0	0	0	112.3	S282 I284 Q288 T289 A307 S308 S310	S282-N286 WeakPolarHBondContact O-CB 3.34Å; S282-N286 PolarHBondContact O-N 3.36Å; S282-N286 PolarHBondContact O-OD1 2.85Å; I284-N286 PolarHBondContact O-N 3.41Å; N286-Q288 VanDerWaalsContact C-N 3.26Å; N286-Q288 PolarHBondContact O-N 3.04Å; N286-T289 WeakPolarHBondContact CA-OG1 3.43Å; N286-T289 PolarHBondContact O-OG1 3.27Å; N286-A307 PolarHBondContact ND2-O 2.84Å; N286-A307 PolarHBondContact OD1-O 2.78Å; N286-S308 VanDerWaalsContact CG-CA 3.48Å; N286-S308 WeakPolarHBondContact ND2-CA 3.37Å; N286-S308 PolarHBondContact ND2-O 3.17Å; N286-S310 PolarHBondContact ND2-O 2.81Å; N286-S310 VanDerWaalsContact ND2-O 3.09Å
287	A	42.4	Very low	46.1	Very low	66 Å²	66	48.7 Å²	48.7	55%	0.545	27%	0.27	S	S	.	.	H	α-helix	trans	-77	-12.2	175.1	0	0	0	0	0	113.2	R283 I284 F285	R283-A287 WeakPolarHBondContact O-CB 3.44Å; R283-A287 PolarHBondContact O-N 3Å; I284-A287 PolarHBondContact O-N 2.84Å; F285-A287 VanDerWaalsContact C-N 3.29Å; F285-A287 PolarHBondContact O-N 3.09Å
288	Q	46.4	Very low	47	Very low	132 Å²	132	58.3 Å²	58.3	62%	0.617	31%	0.305	S	S	*	.	H	α-helix	trans	-99.5	-12.1	176.9	-68.3	176.8	-18.7	0	0	113.1	I284 F285 N286	I284-Q288 PolarHBondContact O-N 3.02Å; F285-Q288 PolarHBondContact O-N 2.9Å; F285-Q288 VanDerWaalsContact O-N 3.07Å; N286-Q288 VanDerWaalsContact C-N 3.26Å; N286-Q288 PolarHBondContact O-N 3.04Å
289	T	44.7	Very low	47.2	Very low	23 Å²	23	61.6 Å²	61.6	14%	0.141	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-84.8	128.8	-176.8	-9.1	0	0	0	0	111.3	C217 F285 N286 P305	C217-T289 WeakPolarHBondContact CB-O 3.43Å; F285-T289 PolarHBondContact O-N 2.6Å; F285-T289 PolarHBondContact O-OG1 2.98Å; N286-T289 WeakPolarHBondContact CA-OG1 3.43Å; N286-T289 PolarHBondContact O-OG1 3.27Å; T289-P305 HydrophobicContact CG2-CG 3.56Å
290	P	41.2	Very low	47.2	Very low	51 Å²	51	60.1 Å²	60.1	33%	0.331	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	157.7	178.2	31.9	-35	0	0	0	113	G215	G215-P290 WeakPolarHBondContact O-CA 3.2Å
291	V	46.1	Very low	47.1	Very low	18 Å²	18	62.3 Å²	62.3	11%	0.109	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	137.6	166.3	179.8	0	0	0	0	108.7	F214 G215 C217 D302 V304	F214-V291 CarbonylContact C-O 3.55Å; F214-V291 WeakPolarHBondContact CA-O 3.19Å; G215-V291 PolarHBondContact N-O 3.13Å; G215-V291 PolarHBondContact O-N 3.12Å; C217-V291 HydrophobicContact CB-CG2 3.89Å; V291-D302 HydrophobicContact CG1-CB 3.97Å; V291-V304 HydrophobicContact CG1-CG2 4.16Å; V291-V304 HydrophobicContact CG2-CG1 4.29Å; V291-V304 HydrophobicContact CG2-CG2 4.08Å
292	L	45	Very low	47.1	Very low	39 Å²	39	66.4 Å²	66.4	20%	0.204	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	109.6	170.2	173.5	57.1	0	0	0	110	F212 F214 A303	F212-L292 HydrophobicContact CD1-CD1 4.22Å; F214-L292 HydrophobicContact CD1-CB 4.43Å; F214-L292 HydrophobicContact CD1-CD1 4.1Å; F214-L292 HydrophobicContact CE1-CB 4.33Å; F214-L292 HydrophobicContact CE1-CD1 3.76Å; F214-L292 HydrophobicContact CE1-CG 4.46Å; F214-L292 HydrophobicContact CE2-CD1 4.23Å; F214-L292 HydrophobicContact CZ-CD1 3.83Å; L292-A303 HydrophobicContact CB-CB 4.38Å; L292-A303 PolarHBondContact N-O 2.68Å; L292-A303 PolarHBondContact O-N 2.92Å
293	S	48.5	Very low	47	Very low	16 Å²	16	66 Å²	66	11%	0.112	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.5	177.9	-54.7	0	0	0	0	111.1	F212 S213 L301 D302	F212-S293 WeakPolarHBondContact CA-O 3.41Å; S213-S293 PolarHBondContact N-O 2.85Å; S213-S293 WeakPolarHBondContact O-CA 3.22Å; S213-S293 WeakPolarHBondContact O-CB 3.43Å; S213-S293 PolarHBondContact O-N 3.46Å; S293-L301 CarbonylContact C-O 3.52Å; S293-L301 WeakPolarHBondContact CA-O 3.13Å; S293-D302 WeakPolarHBondContact CB-OD1 3.16Å; S293-D302 PolarHBondContact OG-OD1 2.96Å
294	V	46	Very low	46.8	Very low	8 Å²	8	64.6 Å²	64.6	5%	0.048	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	110	173.7	-165.3	0	0	0	0	109	F207 F212 T300 L301	F207-V294 HydrophobicContact CB-CG1 4.33Å; F207-V294 HydrophobicContact CD1-CB 4.37Å; F207-V294 HydrophobicContact CD1-CG1 4.09Å; F207-V294 VanDerWaalsContact CE1-O 3.31Å; F207-V294 WeakPolarHBondContact CE1-O 3.31Å; F212-V294 HydrophobicContact CD1-CB 4.34Å; F212-V294 HydrophobicContact CD1-CG1 4.04Å; F212-V294 HydrophobicContact CD1-CG2 3.61Å; F212-V294 HydrophobicContact CD2-CG1 4.47Å; F212-V294 HydrophobicContact CE1-CB 4.29Å; F212-V294 HydrophobicContact CE1-CG1 3.76Å; F212-V294 HydrophobicContact CE1-CG2 3.54Å; F212-V294 HydrophobicContact CE2-CG1 4.2Å; F212-V294 HydrophobicContact CG-CG1 4.39Å; F212-V294 HydrophobicContact CZ-CG1 3.84Å; F212-V294 HydrophobicContact CZ-CG2 4.42Å; V294-T300 CarbonylContact O-C 3.59Å; V294-T300 WeakPolarHBondContact O-CA 3.43Å; V294-L301 HydrophobicContact CB-CB 4.42Å; V294-L301 PolarHBondContact N-O 2.86Å; V294-L301 PolarHBondContact O-N 3.42Å
295	T	47.4	Very low	46.6	Very low	38 Å²	38	64.2 Å²	64.2	23%	0.233	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	128.6	-175.1	-61.4	0	0	0	0	111.7	G210 T211 T299 T300	G210-T295 CarbonylContact C-O 3.6Å; G210-T295 WeakPolarHBondContact CA-O 3.37Å; T211-T295 PolarHBondContact N-O 2.93Å; T211-T295 PolarHBondContact O-N 2.77Å; T211-T295 PolarHBondContact OG1-O 2.82Å; T295-T299 CarbonylContact C-O 3.47Å; T295-T299 WeakPolarHBondContact CA-O 3.43Å; T295-T300 WeakPolarHBondContact CG2-OG1 3.11Å; T295-T300 VanDerWaalsContact OG1-CG2 3.32Å; T295-T300 WeakPolarHBondContact OG1-CG2 3.47Å; T295-T300 PolarHBondContact OG1-OG1 3.24Å
296	R	48.1	Very low	45.9	Very low	114 Å²	114	64.3 Å²	64.3	43%	0.43	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	114.1	169.8	-162.7	-170.6	-172.6	178.7	5.2	110.3	P205 E206 F207 L208 R298 T299	P205-R296 PolarHBondContact O-NH1 2.95Å; E206-R296 VanDerWaalsContact C-NH1 3.28Å; E206-R296 WeakPolarHBondContact O-CD 3.38Å; E206-R296 PolarHBondContact O-NH1 3.18Å; F207-R296 HydrophobicContact CD1-CB 4.28Å; L208-R296 PolarHBondContact O-NE 2.85Å; L208-R296 PolarHBondContact O-NH1 3.33Å; L208-R296 PolarHBondContact O-NH2 2.9Å; R296-R298 PolarHBondContact O-N 3.26Å; R296-T299 PolarHBondContact N-O 3.29Å; R296-T299 PolarHBondContact O-N 3.41Å
297	G	70	Confident	45.7	Very low	81 Å²	81	65.8 Å²	65.8	84%	0.835	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	-98.2	179.1	0	0	0	0	0	112.7
298	R	63.5	Low	45.2	Very low	254 Å²	254	63.5 Å²	63.5	96%	0.958	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	-0.9	174.9	-68.1	-174	179.2	177.9	0.3	113.4	R296	R296-R298 PolarHBondContact O-N 3.26Å
299	T	44.2	Very low	44.5	Very low	83 Å²	83	63.3 Å²	63.3	51%	0.509	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.1	-175.9	-38.5	0	0	0	0	109	F207 T295 R296	F207-T299 HydrophobicContact CE1-CG2 4.22Å; F207-T299 HydrophobicContact CZ-CG2 3.66Å; T295-T299 CarbonylContact C-O 3.47Å; T295-T299 WeakPolarHBondContact CA-O 3.43Å; R296-T299 PolarHBondContact N-O 3.29Å; R296-T299 PolarHBondContact O-N 3.41Å
300	T	47.6	Very low	44	Very low	68 Å²	68	65.4 Å²	65.4	42%	0.417	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	134.5	175.1	-59.6	0	0	0	0	109.4	V294 T295 D302	V294-T300 CarbonylContact O-C 3.59Å; V294-T300 WeakPolarHBondContact O-CA 3.43Å; T295-T300 WeakPolarHBondContact CG2-OG1 3.11Å; T295-T300 VanDerWaalsContact OG1-CG2 3.32Å; T295-T300 WeakPolarHBondContact OG1-CG2 3.47Å; T295-T300 PolarHBondContact OG1-OG1 3.24Å; T300-D302 WeakPolarHBondContact CG2-OD1 3.28Å
301	L	40.7	Very low	43.9	Very low	81 Å²	81	66.9 Å²	66.9	42%	0.424	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	111.5	170.9	179.7	80	0	0	0	108.2	F207 S293 V294	F207-L301 HydrophobicContact CE1-CB 3.95Å; F207-L301 HydrophobicContact CE2-CB 4.36Å; F207-L301 HydrophobicContact CZ-CB 3.83Å; S293-L301 CarbonylContact C-O 3.52Å; S293-L301 WeakPolarHBondContact CA-O 3.13Å; V294-L301 HydrophobicContact CB-CB 4.42Å; V294-L301 PolarHBondContact N-O 2.86Å; V294-L301 PolarHBondContact O-N 3.42Å
302	D	45.8	Very low	43.7	Very low	96 Å²	96	70.2 Å²	70.2	51%	0.513	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	118.5	175.8	-68.3	-36	0	0	0	110.5	V291 S293 T300	V291-D302 HydrophobicContact CG1-CB 3.97Å; S293-D302 WeakPolarHBondContact CB-OD1 3.16Å; S293-D302 PolarHBondContact OG-OD1 2.96Å; T300-D302 WeakPolarHBondContact CG2-OD1 3.28Å
303	A	42.8	Very low	43.4	Very low	15 Å²	15	71.3 Å²	71.3	12%	0.124	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	119.7	177.2	0	0	0	0	0	110.5	Y201 L292	Y201-A303 HydrophobicContact CE1-CB 3.63Å; L292-A303 HydrophobicContact CB-CB 4.38Å; L292-A303 PolarHBondContact N-O 2.68Å; L292-A303 PolarHBondContact O-N 2.92Å
304	V	37.7	Very low	43.6	Very low	60 Å²	60	72 Å²	72	36%	0.364	41%	0.413	S	S	.	.			trans	-118.2	127.7	-178.4	-161.6	0	0	0	0	108.8	V291 S308	V291-V304 HydrophobicContact CG1-CG2 4.16Å; V291-V304 HydrophobicContact CG2-CG1 4.29Å; V291-V304 HydrophobicContact CG2-CG2 4.08Å; V304-S308 VanDerWaalsContact CG1-OG 3.28Å; V304-S308 WeakPolarHBondContact CG1-OG 3.44Å
305	P	40.2	Very low	43.8	Very low	13 Å²	13	73 Å²	73	8%	0.084	42%	0.42	C	S	.	.			trans	-67.1	135.8	-176.7	24.5	-32.5	0	0	0	112	T289 A307 S308	T289-P305 HydrophobicContact CG2-CG 3.56Å; P305-A307 PolarHBondContact O-N 3.39Å; P305-S308 WeakPolarHBondContact O-CB 3.43Å; P305-S308 PolarHBondContact O-N 3.31Å; P305-S308 PolarHBondContact O-OG 2.84Å
306	L	33.5	Very low	44.2	Very low	80 Å²	80	75.8 Å²	75.8	42%	0.419	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-53.9	-31	-171.7	-74.7	167.7	0	0	0	114.8	S308 L309	L306-S308 PolarHBondContact O-N 3.48Å; L306-L309 HydrophobicContact CD2-CD1 4.05Å; L306-L309 WeakPolarHBondContact O-CB 3.34Å; L306-L309 PolarHBondContact O-N 3.4Å; L306-L309 VanDerWaalsContact O-N 3.12Å
307	A	37.2	Very low	44.7	Very low	46 Å²	46	72.4 Å²	72.4	38%	0.38	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-55.4	-34.3	174.4	0	0	0	0	0	113	F285 N286 P305 L309 S310	F285-A307 HydrophobicContact CE1-CB 4Å; N286-A307 PolarHBondContact ND2-O 2.84Å; N286-A307 PolarHBondContact OD1-O 2.78Å; P305-A307 PolarHBondContact O-N 3.39Å; A307-L309 PolarHBondContact O-N 2.77Å; A307-L309 VanDerWaalsContact O-N 3.15Å; A307-S310 WeakPolarHBondContact O-CB 3.24Å; A307-S310 PolarHBondContact O-N 2.94Å
308	S	33	Very low	44.1	Very low	18 Å²	18	68.6 Å²	68.6	13%	0.126	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-56.5	-29.7	178	67.3	0	0	0	0	113.8	N286 V304 P305 L306 S310	N286-S308 VanDerWaalsContact CG-CA 3.48Å; N286-S308 WeakPolarHBondContact ND2-CA 3.37Å; N286-S308 PolarHBondContact ND2-O 3.17Å; V304-S308 VanDerWaalsContact CG1-OG 3.28Å; V304-S308 WeakPolarHBondContact CG1-OG 3.44Å; P305-S308 WeakPolarHBondContact O-CB 3.43Å; P305-S308 PolarHBondContact O-N 3.31Å; P305-S308 PolarHBondContact O-OG 2.84Å; L306-S308 PolarHBondContact O-N 3.48Å; S308-S310 VanDerWaalsContact C-N 3.31Å
309	L	31.1	Very low	43.9	Very low	128 Å²	128	56.5 Å²	56.5	67%	0.67	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-77.7	-17.4	-179.6	-51.5	-179.6	0	0	0	112.3	L306 A307 V311	L306-L309 HydrophobicContact CD2-CD1 4.05Å; L306-L309 WeakPolarHBondContact O-CB 3.34Å; L306-L309 PolarHBondContact O-N 3.4Å; L306-L309 VanDerWaalsContact O-N 3.12Å; A307-L309 PolarHBondContact O-N 2.77Å; A307-L309 VanDerWaalsContact O-N 3.15Å; L309-V311 PolarHBondContact O-N 3.16Å
310	S	34	Very low	44.7	Very low	66 Å²	66	52.6 Å²	52.6	46%	0.462	31%	0.314	S	S	.	.			trans	-90.6	104.4	-173.7	-65.4	0	0	0	0	111.8	S282 N286 A307 S308	S282-S310 WeakPolarHBondContact CB-O 3.46Å; S282-S310 PolarHBondContact OG-O 3.21Å; N286-S310 PolarHBondContact ND2-O 2.81Å; N286-S310 VanDerWaalsContact ND2-O 3.09Å; A307-S310 WeakPolarHBondContact O-CB 3.24Å; A307-S310 PolarHBondContact O-N 2.94Å; S308-S310 VanDerWaalsContact C-N 3.31Å
311	V	39.4	Very low	45.3	Very low	83 Å²	83	49.6 Å²	49.6	50%	0.503	30%	0.296	S	S	.	.			trans	-102.3	89.1	-177.1	-174.7	0	0	0	0	112	R283 L309 P313	R283-V311 HydrophobicContact CG-CG1 3.83Å; L309-V311 PolarHBondContact O-N 3.16Å; V311-P313 VanDerWaalsContact O-CD 3.26Å; V311-P313 WeakPolarHBondContact O-CD 2.99Å
312	I	40.8	Very low	46.2	Very low	88 Å²	88	46 Å²	46	45%	0.451	28%	0.277	S	S	.	.			trans	-95.1	105.3	169.6	-53.7	178.2	0	0	0	108.3	S282 G314	S282-I312 PolarHBondContact N-O 2.85Å; S282-I312 PolarHBondContact OG-N 3.02Å; I312-G314 PolarHBondContact O-N 3Å
313	P	40.7	Very low	46.7	Very low	61 Å²	61	42 Å²	42	40%	0.396	26%	0.256	S	S	.	.			trans	-70.1	126.9	173.1	26.1	-31.7	0	0	0	110.1	V311 K393	V311-P313 VanDerWaalsContact O-CD 3.26Å; V311-P313 WeakPolarHBondContact O-CD 2.99Å; P313-K393 PolarHBondContact O-NZ 2.9Å
314	G	52.5	Low	47.3	Very low	32 Å²	32	42.4 Å²	42.4	33%	0.33	26%	0.256	S	S	.	.			trans	-100.3	-159.4	175.9	0	0	0	0	0	112.7	I312	I312-G314 PolarHBondContact O-N 3Å
315	P	50.4	Low	48.1	Very low	28 Å²	28	39.7 Å²	39.7	18%	0.182	24%	0.24	C	C	.	.			trans	-70.7	145	-177.2	29.9	-35.4	0	0	0	112.8	A259 L280 V318	A259-P315 HydrophobicContact CB-CB 3.64Å; A259-P315 HydrophobicContact CB-CG 3.76Å; L280-P315 HydrophobicContact CD2-CG 4.17Å; P315-V318 HydrophobicContact CG-CG2 4.11Å
316	V	54.5	Low	48.7	Very low	96 Å²	96	40.2 Å²	40.2	58%	0.582	24%	0.243	S	C	*	.	S	Bend	trans	-84.4	-27.2	177.8	-177.3	0	0	0	0	111.8	V225 E226	V225-V316 CarbonylContact C-O 3.47Å; V225-V316 VanDerWaalsContact CA-O 3.3Å; V225-V316 WeakPolarHBondContact CA-O 3.34Å; E226-V316 PolarHBondContact N-O 3.3Å
317	R	58.3	Low	49.9	Very low	44 Å²	44	39.1 Å²	39.1	17%	0.166	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	144.9	172.9	-48.4	-167.7	-166.2	109.2	5.2	111.2	E226 E248 F249 S257 V258 A259	E226-R317 HydrophobicContact CB-CG 4.28Å; E226-R317 CarbonylContact O-C 3.58Å; E226-R317 VanDerWaalsContact O-CA 3.23Å; E226-R317 WeakPolarHBondContact O-CA 3.27Å; E226-R317 IonicContact OE2-NE 3.9Å; E248-R317 VanDerWaalsContact CD-NH2 3.3Å; E248-R317 PolarHBondContact O-NH1 3.22Å; E248-R317 IonicContact OE1-NH2 3.22Å; E248-R317 IonicContact OE2-CZ 2.72Å; E248-R317 IonicContact OE2-NE 3.57Å; E248-R317 PolarHBondContact OE2-NE 3.06Å; E248-R317 IonicContact OE2-NH1 3.46Å; E248-R317 IonicContact OE2-NH2 2.72Å; E248-R317 PolarHBondContact OE2-NH2 2.78Å; F249-R317 HydrophobicContact CE1-CB 3.92Å; F249-R317 HydrophobicContact CZ-CB 4.11Å; S257-R317 WeakPolarHBondContact O-CB 3.46Å; S257-R317 PolarHBondContact O-N 2.8Å; S257-R317 PolarHBondContact OG-NH1 3.21Å; V258-R317 WeakPolarHBondContact CA-O 3.29Å; V258-R317 HydrophobicContact CB-CB 4.41Å; V258-R317 HydrophobicContact CG2-CB 3.9Å; A259-R317 PolarHBondContact N-O 3.16Å
318	V	58.9	Low	50.6	Low	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	125.4	-173.7	-174.7	0	0	0	0	110.6	V225 E226 A227 M228 F249 A259 I261 F277 L280 P315 F320	V225-V318 HydrophobicContact CG1-CG2 3.8Å; E226-V318 PolarHBondContact O-N 3.06Å; A227-V318 CarbonylContact C-O 3.59Å; A227-V318 WeakPolarHBondContact CA-O 3.46Å; A227-V318 HydrophobicContact CB-CB 4.42Å; M228-V318 PolarHBondContact N-O 2.7Å; F249-V318 WeakPolarHBondContact CE1-O 3.19Å; A259-V318 CarbonylContact O-C 3.54Å; A259-V318 WeakPolarHBondContact O-CA 3.44Å; I261-V318 HydrophobicContact CD1-CG1 3.6Å; I261-V318 HydrophobicContact CG1-CG1 4.36Å; F277-V318 HydrophobicContact CE2-CG2 4.49Å; L280-V318 HydrophobicContact CD1-CB 4.47Å; L280-V318 HydrophobicContact CD1-CG1 3.79Å; L280-V318 HydrophobicContact CD1-CG2 3.83Å; P315-V318 HydrophobicContact CG-CG2 4.11Å; V318-F320 HydrophobicContact CB-CE2 4.4Å; V318-F320 HydrophobicContact CG1-CD1 4.14Å; V318-F320 HydrophobicContact CG1-CD2 4.07Å; V318-F320 HydrophobicContact CG1-CE1 3.8Å; V318-F320 HydrophobicContact CG1-CE2 3.69Å; V318-F320 HydrophobicContact CG1-CG 4.3Å; V318-F320 HydrophobicContact CG1-CZ 3.57Å
319	L	59.4	Low	51.1	Low	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	100.3	175.8	-172.4	62.5	0	0	0	109.8	M228 I230 M246 F249 W254 V258 A259 V260 I261	M228-L319 HydrophobicContact CB-CD1 4.01Å; M228-L319 HydrophobicContact CG-CD1 4.12Å; M228-L319 CarbonylContact O-C 3.55Å; M228-L319 WeakPolarHBondContact O-CA 3.47Å; M228-L319 HydrophobicContact SD-CD1 4.13Å; I230-L319 HydrophobicContact CD1-CD1 3.91Å; I230-L319 HydrophobicContact CD1-CD2 3.92Å; I230-L319 HydrophobicContact CD1-CG 4.1Å; I230-L319 HydrophobicContact CG1-CD1 3.89Å; I230-L319 HydrophobicContact CG1-CG 4.23Å; I230-L319 HydrophobicContact CG2-CD1 4.1Å; M246-L319 HydrophobicContact CE-CD2 4.14Å; F249-L319 HydrophobicContact CD1-CB 4.24Å; F249-L319 HydrophobicContact CD1-CD1 4.18Å; W254-L319 HydrophobicContact CZ2-CD2 3.82Å; V258-L319 HydrophobicContact CG1-CB 3.76Å; A259-L319 PolarHBondContact O-N 2.83Å; V260-L319 WeakPolarHBondContact CA-O 3.38Å; V260-L319 HydrophobicContact CG2-CB 4.34Å; V260-L319 HydrophobicContact CG2-CD2 4.33Å; I261-L319 PolarHBondContact N-O 3.49Å
320	F	60	Low	51.6	Low	2 Å²	2	39.3 Å²	39.3	1%	0.009	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	118.8	175	-66.4	-65.5	0	0	0	110.1	A227 M228 A229 I230 I261 V263 I273 T276 F277 L280 V318	A227-F320 HydrophobicContact CB-CD2 4.4Å; A227-F320 HydrophobicContact CB-CE2 4.03Å; M228-F320 PolarHBondContact O-N 3.41Å; A229-F320 CarbonylContact C-O 3.3Å; A229-F320 VanDerWaalsContact CA-O 3.3Å; A229-F320 WeakPolarHBondContact CA-O 3.31Å; A229-F320 HydrophobicContact CB-CB 4.11Å; I230-F320 PolarHBondContact N-O 2.85Å; I261-F320 HydrophobicContact CB-CD1 4.01Å; I261-F320 HydrophobicContact CB-CE1 4.31Å; I261-F320 HydrophobicContact CD1-CD1 4.37Å; I261-F320 HydrophobicContact CD1-CE1 3.9Å; I261-F320 HydrophobicContact CG2-CD1 4.36Å; I261-F320 HydrophobicContact CG2-CE1 4.45Å; I261-F320 CarbonylContact O-C 3.25Å; I261-F320 WeakPolarHBondContact O-CA 3.29Å; V263-F320 HydrophobicContact CG2-CB 4.02Å; V263-F320 HydrophobicContact CG2-CD1 3.38Å; V263-F320 HydrophobicContact CG2-CE1 4.15Å; V263-F320 HydrophobicContact CG2-CG 4.05Å; I273-F320 HydrophobicContact CG1-CG 4.47Å; I273-F320 HydrophobicContact CG2-CD2 3.9Å; I273-F320 HydrophobicContact CG2-CE2 3.62Å; I273-F320 HydrophobicContact CG2-CZ 3.99Å; T276-F320 HydrophobicContact CG2-CE1 3.91Å; F277-F320 HydrophobicContact CB-CZ 4.2Å; F277-F320 HydrophobicContact CD2-CE2 4.08Å; F277-F320 AromaticContact CD2-CZ 3.98Å; F277-F320 HydrophobicContact CD2-CZ 3.98Å; L280-F320 HydrophobicContact CD1-CE1 4.43Å; L280-F320 HydrophobicContact CD1-CZ 4.17Å; V318-F320 HydrophobicContact CB-CE2 4.4Å; V318-F320 HydrophobicContact CG1-CD1 4.14Å; V318-F320 HydrophobicContact CG1-CD2 4.07Å; V318-F320 HydrophobicContact CG1-CE1 3.8Å; V318-F320 HydrophobicContact CG1-CE2 3.69Å; V318-F320 HydrophobicContact CG1-CG 4.3Å; V318-F320 HydrophobicContact CG1-CZ 3.57Å
321	V	60.1	Low	51.7	Low	5 Å²	5	42 Å²	42	3%	0.03	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	111.6	175.3	-177.2	0	0	0	0	108.1	I230 L232 Y235 V260 I261 P262 V263 V323	I230-V321 WeakPolarHBondContact O-CA 3.3Å; L232-V321 HydrophobicContact CD1-CG1 4.09Å; Y235-V321 HydrophobicContact CD1-CG1 3.9Å; Y235-V321 HydrophobicContact CD1-CG2 4.25Å; Y235-V321 HydrophobicContact CD2-CG2 3.52Å; Y235-V321 HydrophobicContact CE2-CG2 4.08Å; Y235-V321 HydrophobicContact CG-CB 4.36Å; Y235-V321 HydrophobicContact CG-CG1 3.75Å; Y235-V321 HydrophobicContact CG-CG2 3.62Å; V260-V321 HydrophobicContact CG1-CG2 3.59Å; I261-V321 PolarHBondContact O-N 3.31Å; P262-V321 CarbonylContact C-O 3.57Å; P262-V321 WeakPolarHBondContact CA-O 3.42Å; V263-V321 PolarHBondContact N-O 3.43Å; V321-V323 HydrophobicContact CG1-CG1 4.23Å; V321-V323 WeakPolarHBondContact O-CG1 3.42Å; V321-V323 PolarHBondContact O-N 3.5Å
322	L	60.6	Low	51.5	Low	4 Å²	4	43.1 Å²	43.1	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	89.2	-178.9	-55.2	-174.9	0	0	0	108.8	A229 I230 L232 V263 W271 I273 D324 A325 W334	A229-L322 HydrophobicContact CB-CD1 4.4Å; A229-L322 HydrophobicContact CB-CD2 4.28Å; A229-L322 HydrophobicContact CB-CG 4.39Å; I230-L322 PolarHBondContact O-N 3.35Å; L232-L322 PolarHBondContact N-O 3.07Å; V263-L322 HydrophobicContact CB-CD2 4.46Å; W271-L322 HydrophobicContact CD2-CD2 3.98Å; W271-L322 HydrophobicContact CE3-CB 4.3Å; W271-L322 HydrophobicContact CE3-CD2 3.71Å; W271-L322 HydrophobicContact CE3-CG 4.49Å; W271-L322 HydrophobicContact CH2-CB 3.63Å; W271-L322 HydrophobicContact CH2-CG 4.44Å; W271-L322 HydrophobicContact CZ2-CB 4.16Å; W271-L322 HydrophobicContact CZ2-CD1 4.33Å; W271-L322 HydrophobicContact CZ3-CB 3.69Å; W271-L322 HydrophobicContact CZ3-CD2 4Å; W271-L322 HydrophobicContact CZ3-CG 4.36Å; I273-L322 HydrophobicContact CD1-CD2 4.16Å; L322-D324 PolarHBondContact O-N 2.97Å; L322-A325 HydrophobicContact CB-CB 3.91Å; L322-A325 PolarHBondContact O-N 3.5Å; L322-W334 HydrophobicContact CD1-CE3 4.33Å; L322-W334 HydrophobicContact CD1-CH2 4.45Å; L322-W334 HydrophobicContact CD1-CZ3 3.83Å
323	V	56.4	Low	51.1	Low	14 Å²	14	44.2 Å²	44.2	9%	0.085	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-14.8	-166.3	-55	0	0	0	0	114.4	L232 P262 V263 R264 V321	L232-V323 VanDerWaalsContact CD2-O 3.29Å; L232-V323 WeakPolarHBondContact CD2-O 3.17Å; P262-V323 HydrophobicContact CB-CG1 3.47Å; P262-V323 VanDerWaalsContact CB-CG1 3.47Å; V263-V323 PolarHBondContact O-N 3.46Å; R264-V323 HydrophobicContact CG-CG2 3.58Å; V321-V323 HydrophobicContact CG1-CG1 4.23Å; V321-V323 WeakPolarHBondContact O-CG1 3.42Å; V321-V323 PolarHBondContact O-N 3.5Å
324	D	54.3	Low	51.1	Low	23 Å²	23	47.8 Å²	47.8	12%	0.123	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	22.7	172.5	-40.7	-53.9	0	0	0	111.4	R264 V265 W271 L322 C336 G337	R264-D324 WeakPolarHBondContact CA-OD2 3.46Å; R264-D324 WeakPolarHBondContact CB-OD2 3.37Å; R264-D324 WeakPolarHBondContact CD-OD2 3.38Å; R264-D324 WeakPolarHBondContact CG-OD2 3.41Å; R264-D324 IonicContact CZ-OD1 3.05Å; R264-D324 IonicContact NE-OD1 3.38Å; R264-D324 PolarHBondContact NE-OD1 3.27Å; R264-D324 IonicContact NE-OD2 2.77Å; R264-D324 PolarHBondContact NE-OD2 3.37Å; R264-D324 IonicContact NH2-OD1 3.58Å; R264-D324 PolarHBondContact NH2-OD1 3.49Å; V265-D324 HydrophobicContact CG2-CB 4.13Å; V265-D324 PolarHBondContact N-OD2 3.2Å; W271-D324 HydrophobicContact CH2-CB 4.2Å; L322-D324 PolarHBondContact O-N 2.97Å; D324-C336 CarbonylContact O-C 3.58Å; D324-C336 WeakPolarHBondContact O-CA 3.26Å; D324-G337 PolarHBondContact O-N 3.35Å
325	A	54.2	Low	50.4	Low	2 Å²	2	53.2 Å²	53.2	2%	0.017	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	141.3	174.8	0	0	0	0	0	112.6	P231 L232 W271 L322 R335	P231-A325 HydrophobicContact CB-CB 4.24Å; P231-A325 WeakPolarHBondContact CB-O 3.35Å; L232-A325 WeakPolarHBondContact CB-O 3.36Å; L232-A325 PolarHBondContact N-O 2.86Å; W271-A325 HydrophobicContact CH2-CB 3.8Å; W271-A325 HydrophobicContact CZ2-CB 3.9Å; L322-A325 HydrophobicContact CB-CB 3.91Å; L322-A325 PolarHBondContact O-N 3.5Å; A325-R335 WeakPolarHBondContact CA-O 3.41Å
326	T	54.5	Low	49.8	Very low	24 Å²	24	56.8 Å²	56.8	15%	0.147	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	157.8	166.8	69.5	0	0	0	0	110.1	D233 R335 V345	D233-T326 HydrophobicContact CB-CG2 4.44Å; D233-T326 WeakPolarHBondContact OD1-CA 3.35Å; D233-T326 WeakPolarHBondContact OD2-CB 3.45Å; T326-R335 PolarHBondContact N-O 3.49Å; T326-R335 PolarHBondContact O-N 2.88Å; T326-V345 HydrophobicContact CG2-CG1 4.49Å
327	T	57.3	Low	49	Very low	57 Å²	57	53.4 Å²	53.4	35%	0.35	29%	0.289	S	S	.	.			trans	-61.8	156.4	159	69.4	0	0	0	0	110.2	P231 D233 T234	P231-T327 HydrophobicContact CG-CG2 3.62Å; D233-T327 VanDerWaalsContact CG-N 3.31Å; D233-T327 PolarHBondContact OD1-N 2.89Å; D233-T327 VanDerWaalsContact OD1-N 3.08Å; D233-T327 WeakPolarHBondContact OD2-CA 3.47Å; D233-T327 WeakPolarHBondContact OD2-CB 3.04Å; D233-T327 PolarHBondContact OD2-N 3.22Å; D233-T327 PolarHBondContact OD2-OG1 2.79Å; T234-T327 WeakPolarHBondContact OG1-CG2 3.25Å
328	S	53.1	Low	47.8	Very low	21 Å²	21	54.4 Å²	54.4	15%	0.147	30%	0.303	C	S	.	.			trans	-95.8	148.2	176.3	66.5	0	0	0	0	112.1	G330 L331 D332 F333	S328-G330 PolarHBondContact O-N 3.41Å; S328-L331 PolarHBondContact OG-N 3.22Å; S328-D332 PolarHBondContact OG-N 3.36Å; S328-F333 WeakPolarHBondContact CB-O 3.38Å; S328-F333 PolarHBondContact N-O 3.34Å; S328-F333 PolarHBondContact OG-N 3.04Å; S328-F333 PolarHBondContact OG-O 3.14Å; S328-F333 VanDerWaalsContact OG-O 3.08Å
329	D	42.7	Very low	46.6	Very low	109 Å²	109	60.3 Å²	60.3	58%	0.583	34%	0.344	S	S	*	.	S	Bend	trans	-65.7	70.2	173.2	-45.9	-74.8	0	0	0	113.2
330	G	42.3	Very low	45.2	Very low	66 Å²	66	68.1 Å²	68.1	68%	0.68	38%	0.381	S	S	*	.	S	Bend	trans	91.4	16.3	167.1	0	0	0	0	0	118.1	S328	S328-G330 PolarHBondContact O-N 3.41Å
331	L	35.4	Very low	43.7	Very low	124 Å²	124	74.2 Å²	74.2	65%	0.649	41%	0.413	S	S	*	.	S	Bend	trans	-120.5	10.1	178.1	-70.2	176.8	0	0	0	115.2	S328 F333	S328-L331 PolarHBondContact OG-N 3.22Å; L331-F333 VanDerWaalsContact C-N 3.3Å; L331-F333 HydrophobicContact CB-CD2 4.44Å; L331-F333 WeakPolarHBondContact O-CD2 3.21Å; L331-F333 WeakPolarHBondContact O-CE2 3.32Å; L331-F333 PolarHBondContact O-N 3.27Å
332	D	36.3	Very low	42.3	Very low	106 Å²	106	77.7 Å²	77.7	57%	0.567	45%	0.449	S	S	*	.	S	Bend	trans	56.7	30.7	174.2	-59.5	-16	0	0	0	116.4	K47 S328	K47-D332 HydrophobicContact CD-CB 4.15Å; K47-D332 VanDerWaalsContact CE-CB 3.42Å; K47-D332 HydrophobicContact CG-CB 4.49Å; K47-D332 IonicContact NZ-OD2 3.89Å; K47-D332 PolarHBondContact NZ-OD2 2.99Å; S328-D332 PolarHBondContact OG-N 3.36Å
333	F	32.4	Very low	41.1	Very low	110 Å²	110	80 Å²	80	48%	0.482	46%	0.463	S	S	.	.			trans	-122.1	148.9	173	-64.9	-74.6	0	0	0	111.2	I46 S328 L331	I46-F333 HydrophobicContact CG1-CE1 4.45Å; S328-F333 WeakPolarHBondContact CB-O 3.38Å; S328-F333 PolarHBondContact N-O 3.34Å; S328-F333 PolarHBondContact OG-N 3.04Å; S328-F333 PolarHBondContact OG-O 3.14Å; S328-F333 VanDerWaalsContact OG-O 3.08Å; L331-F333 VanDerWaalsContact C-N 3.3Å; L331-F333 HydrophobicContact CB-CD2 4.44Å; L331-F333 WeakPolarHBondContact O-CD2 3.21Å; L331-F333 WeakPolarHBondContact O-CE2 3.32Å; L331-F333 PolarHBondContact O-N 3.27Å
334	W	39.2	Very low	40	Very low	137 Å²	137	87.2 Å²	87.2	52%	0.519	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-82.1	134.6	170	-62.6	-6.6	0	0	0	109.6	L322	L322-W334 HydrophobicContact CD1-CE3 4.33Å; L322-W334 HydrophobicContact CD1-CH2 4.45Å; L322-W334 HydrophobicContact CD1-CZ3 3.83Å
335	R	37.9	Very low	39.2	Very low	146 Å²	146	86.1 Å²	86.1	55%	0.551	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	125.1	174.3	-78.5	-175.8	169.8	166.8	-1.3	110.3	A325 T326 G337	A325-R335 WeakPolarHBondContact CA-O 3.41Å; T326-R335 PolarHBondContact N-O 3.49Å; T326-R335 PolarHBondContact O-N 2.88Å; R335-G337 PolarHBondContact O-N 3.49Å
336	C	38.3	Very low	38.4	Very low	103 Å²	103	87.5 Å²	87.5	70%	0.696	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	116.2	165	-65.4	0	0	0	0	109	D324 S338	D324-C336 CarbonylContact O-C 3.58Å; D324-C336 WeakPolarHBondContact O-CA 3.26Å; C336-S338 PolarHBondContact O-N 3.4Å
337	G	38	Very low	37.7	Very low	24 Å²	24	86.4 Å²	86.4	25%	0.247	49%	0.485	C	S	.	.			trans	-72.6	105.5	173.2	0	0	0	0	0	109.9	D324 R335 S339	D324-G337 PolarHBondContact O-N 3.35Å; R335-G337 PolarHBondContact O-N 3.49Å; G337-S339 PolarHBondContact O-N 2.73Å
338	S	32.2	Very low	36.8	Very low	66 Å²	66	89.5 Å²	89.5	46%	0.462	49%	0.49	S	S	.	.			trans	-65	131.5	-177.4	61.4	0	0	0	0	111.6	C336 Q340 L341	C336-S338 PolarHBondContact O-N 3.4Å; S338-Q340 PolarHBondContact O-N 3.25Å; S338-L341 PolarHBondContact O-N 3.41Å
339	S	33.9	Very low	36.5	Very low	123 Å²	123	91.4 Å²	91.4	86%	0.86	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-9.8	-174.5	57.4	0	0	0	0	115	G337	G337-S339 PolarHBondContact O-N 2.73Å
340	Q	31.1	Very low	36.3	Very low	165 Å²	165	91.9 Å²	91.9	77%	0.771	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-26.4	179.8	-62.5	-177.1	-0.9	0	0	113.5	S338	S338-Q340 PolarHBondContact O-N 3.25Å
341	L	27.8	Very low	36.4	Very low	130 Å²	130	95.3 Å²	95.3	68%	0.681	51%	0.514	S	S	*	.	S	Bend	trans	-106.5	117.1	179.6	-68.1	172.5	0	0	0	109.2	S338 V343	S338-L341 PolarHBondContact O-N 3.41Å; L341-V343 WeakPolarHBondContact O-CG2 3.16Å; L341-V343 PolarHBondContact O-N 3.29Å
342	G	30.8	Very low	36.7	Very low	77 Å²	77	94.8 Å²	94.8	79%	0.794	52%	0.521	S	S	*	.			trans	-60.3	93.7	-175.7	0	0	0	0	0	112.5	R344	G342-R344 PolarHBondContact O-N 2.95Å; G342-R344 VanDerWaalsContact O-N 3.15Å
343	V	35.3	Very low	36.9	Very low	52 Å²	52	91.2 Å²	91.2	32%	0.315	51%	0.505	S	S	.	.			trans	-56.7	116.3	-161.2	-175.8	0	0	0	0	111.8	L341 V345	L341-V343 WeakPolarHBondContact O-CG2 3.16Å; L341-V343 PolarHBondContact O-N 3.29Å; V343-V345 HydrophobicContact CG1-CG2 4.3Å
344	R	33.4	Very low	37.4	Very low	167 Å²	167	91 Å²	91	63%	0.63	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	112.6	161.5	-50.7	-172.3	-171.8	-171.7	3.2	107	G342 S357 T358	G342-R344 PolarHBondContact O-N 2.95Å; G342-R344 VanDerWaalsContact O-N 3.15Å; R344-S357 VanDerWaalsContact CD-OG 3.3Å; R344-S357 WeakPolarHBondContact CD-OG 3.29Å; R344-T358 CarbonylContact C-O 3.28Å; R344-T358 WeakPolarHBondContact CA-O 3.27Å
345	V	36.4	Very low	37.6	Very low	0 Å²	0	86.6 Å²	86.6	0%	0	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	126.8	176.9	-171.1	0	0	0	0	107.7	L232 D233 T326 V343 V347 S357 T358 L360 L363	L232-V345 HydrophobicContact CD2-CG2 3.62Å; L232-V345 HydrophobicContact CG-CG1 4.49Å; L232-V345 HydrophobicContact CG-CG2 4.11Å; D233-V345 HydrophobicContact CB-CG1 3.84Å; T326-V345 HydrophobicContact CG2-CG1 4.49Å; V343-V345 HydrophobicContact CG1-CG2 4.3Å; V345-V347 HydrophobicContact CB-CG2 4.47Å; V345-V347 HydrophobicContact CG1-CG2 4.37Å; V345-S357 CarbonylContact O-C 3.39Å; V345-S357 WeakPolarHBondContact O-CA 3.49Å; V345-T358 PolarHBondContact N-O 3.3Å; V345-T358 PolarHBondContact O-N 3.25Å; V345-L360 HydrophobicContact CG2-CB 4.43Å; V345-L363 HydrophobicContact CB-CD1 4.32Å; V345-L363 HydrophobicContact CG2-CD1 4.28Å
346	P	38.6	Very low	38	Very low	31 Å²	31	85.1 Å²	85.1	20%	0.201	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	133.2	168.4	29	-32.5	0	0	0	108.8	P355	P346-P355 HydrophobicContact CB-CB 3.91Å; P346-P355 HydrophobicContact CB-CG 4.27Å
347	V	39.5	Very low	38.2	Very low	1 Å²	1	83.3 Å²	83.3	1%	0.006	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	127.1	179	-167	0	0	0	0	111	V236 R240 V345 N349 P355 E356	V236-V347 HydrophobicContact CG1-CB 4.39Å; V236-V347 HydrophobicContact CG1-CG1 3.54Å; V236-V347 HydrophobicContact CG1-CG2 3.85Å; R240-V347 VanDerWaalsContact NH1-CG1 3.33Å; V345-V347 HydrophobicContact CB-CG2 4.47Å; V345-V347 HydrophobicContact CG1-CG2 4.37Å; V347-N349 PolarHBondContact O-N 2.78Å; V347-P355 CarbonylContact O-C 3.51Å; V347-P355 VanDerWaalsContact O-CA 3.31Å; V347-P355 WeakPolarHBondContact O-CA 3.32Å; V347-E356 PolarHBondContact N-O 2.91Å; V347-E356 VanDerWaalsContact N-O 3.08Å; V347-E356 PolarHBondContact O-N 3.06Å
348	W	38.6	Very low	38.4	Very low	121 Å²	121	83 Å²	83	46%	0.458	48%	0.484	S	S	.	.			trans	-85.4	96.9	-177.5	-64.4	87.3	0	0	0	110.3	L350 S353 P355	W348-L350 PolarHBondContact O-N 2.92Å; W348-S353 VanDerWaalsContact CE3-O 3.27Å; W348-P355 HydrophobicContact CD2-CB 3.95Å; W348-P355 HydrophobicContact CD2-CG 4.3Å; W348-P355 HydrophobicContact CE3-CB 4.5Å; W348-P355 HydrophobicContact CG-CB 4.16Å; W348-P355 HydrophobicContact CH2-CG 4.25Å; W348-P355 HydrophobicContact CZ2-CB 4.36Å; W348-P355 HydrophobicContact CZ2-CG 3.85Å
349	N	45.7	Very low	39	Very low	62 Å²	62	86.9 Å²	86.9	33%	0.332	49%	0.493	S	S	.	.	S	Bend	trans	-62.9	-40	-178.8	-81	-19	0	0	0	113.1	R240 V347 E356	R240-N349 PolarHBondContact NH1-OD1 2.77Å; V347-N349 PolarHBondContact O-N 2.78Å; N349-E356 PolarHBondContact ND2-OE1 3.28Å; N349-E356 PolarHBondContact ND2-OE2 3.45Å
350	L	39	Very low	39.5	Very low	119 Å²	119	82.2 Å²	82.2	62%	0.623	46%	0.458	S	S	*	.	S	Bend	trans	-144.7	153.9	179.9	-65.5	172.1	0	0	0	109.5	W348 S352 S353	W348-L350 PolarHBondContact O-N 2.92Å; L350-S352 PolarHBondContact O-N 2.8Å; L350-S353 PolarHBondContact N-OG 3.33Å; L350-S353 VanDerWaalsContact N-OG 3.1Å; L350-S353 PolarHBondContact O-N 2.88Å; L350-S353 VanDerWaalsContact O-N 3.13Å; L350-S353 PolarHBondContact O-OG 2.88Å
351	S	44.4	Very low	40.2	Very low	137 Å²	137	77.9 Å²	77.9	96%	0.958	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	6.3	-175.7	58.5	0	0	0	0	115.9
352	S	42	Very low	41.2	Very low	114 Å²	114	78.4 Å²	78.4	80%	0.797	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.3	3.9	176.8	58.2	0	0	0	0	113.7	L350	L350-S352 PolarHBondContact O-N 2.8Å
353	S	40.7	Very low	42	Very low	31 Å²	31	75.7 Å²	75.7	22%	0.217	40%	0.403	C	S	.	.	S	Bend	trans	-101.5	140	176.4	60.4	0	0	0	0	110.8	W348 L350	W348-S353 VanDerWaalsContact CE3-O 3.27Å; L350-S353 PolarHBondContact N-OG 3.33Å; L350-S353 VanDerWaalsContact N-OG 3.1Å; L350-S353 PolarHBondContact O-N 2.88Å; L350-S353 VanDerWaalsContact O-N 3.13Å; L350-S353 PolarHBondContact O-OG 2.88Å
354	P	43.7	Very low	42.8	Very low	104 Å²	104	74.4 Å²	74.4	68%	0.675	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-60.5	152.2	170.5	28.1	-35.1	0	0	0	111.2
355	P	43.2	Very low	43.6	Very low	45 Å²	45	66.6 Å²	66.6	29%	0.292	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-70.8	133.9	-172.3	26.7	-33.5	0	0	0	112.6	P346 V347 W348	P346-P355 HydrophobicContact CB-CB 3.91Å; P346-P355 HydrophobicContact CB-CG 4.27Å; V347-P355 CarbonylContact O-C 3.51Å; V347-P355 VanDerWaalsContact O-CA 3.31Å; V347-P355 WeakPolarHBondContact O-CA 3.32Å; W348-P355 HydrophobicContact CD2-CB 3.95Å; W348-P355 HydrophobicContact CD2-CG 4.3Å; W348-P355 HydrophobicContact CE3-CB 4.5Å; W348-P355 HydrophobicContact CG-CB 4.16Å; W348-P355 HydrophobicContact CH2-CG 4.25Å; W348-P355 HydrophobicContact CZ2-CB 4.36Å; W348-P355 HydrophobicContact CZ2-CG 3.85Å
356	E	46.2	Very low	44.4	Very low	116 Å²	116	69.5 Å²	69.5	54%	0.542	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	123.7	176.9	-78.6	-174.3	-179.5	0	0	111.5	V347 N349 T358	V347-E356 PolarHBondContact N-O 2.91Å; V347-E356 VanDerWaalsContact N-O 3.08Å; V347-E356 PolarHBondContact O-N 3.06Å; N349-E356 PolarHBondContact ND2-OE1 3.28Å; N349-E356 PolarHBondContact ND2-OE2 3.45Å; E356-T358 PolarHBondContact O-N 2.83Å; E356-T358 VanDerWaalsContact O-N 3.08Å; E356-T358 PolarHBondContact O-OG1 3.08Å
357	S	42.6	Very low	44.8	Very low	64 Å²	64	69.3 Å²	69.3	45%	0.448	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	102	-179	81	0	0	0	0	111.4	R344 V345	R344-S357 VanDerWaalsContact CD-OG 3.3Å; R344-S357 WeakPolarHBondContact CD-OG 3.29Å; V345-S357 CarbonylContact O-C 3.39Å; V345-S357 WeakPolarHBondContact O-CA 3.49Å
358	T	41.7	Very low	45.4	Very low	18 Å²	18	69.3 Å²	69.3	11%	0.11	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	134.5	-177.3	-53.2	0	0	0	0	111.6	R344 V345 E356 L360 L363	R344-T358 CarbonylContact C-O 3.28Å; R344-T358 WeakPolarHBondContact CA-O 3.27Å; V345-T358 PolarHBondContact N-O 3.3Å; V345-T358 PolarHBondContact O-N 3.25Å; E356-T358 PolarHBondContact O-N 2.83Å; E356-T358 VanDerWaalsContact O-N 3.08Å; E356-T358 PolarHBondContact O-OG1 3.08Å; T358-L360 PolarHBondContact O-N 3.34Å; T358-L363 HydrophobicContact CG2-CD1 4.07Å; T358-L363 HydrophobicContact CG2-CD2 3.86Å; T358-L363 HydrophobicContact CG2-CG 3.67Å
359	K	44.8	Very low	46.1	Very low	147 Å²	147	70.7 Å²	70.7	64%	0.639	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	128.2	174.3	-67.4	-176.8	179.7	179.7	0	110.7	V361 R362 L363	K359-V361 VanDerWaalsContact C-N 3.29Å; K359-V361 PolarHBondContact O-N 2.98Å; K359-R362 WeakPolarHBondContact O-CB 3.47Å; K359-R362 PolarHBondContact O-N 3.3Å; K359-L363 PolarHBondContact O-N 3.19Å
360	L	44	Very low	46.3	Very low	25 Å²	25	68.1 Å²	68.1	13%	0.131	37%	0.371	C	S	.	.	H	α-helix	trans	-52.4	-41.4	-179.9	177.2	50.7	0	0	0	113.8	L232 V345 T358 R362 L363 F364 F409	L232-L360 HydrophobicContact CD1-CD1 3.83Å; L232-L360 HydrophobicContact CD2-CD1 3.69Å; L232-L360 HydrophobicContact CD2-CD2 3.77Å; L232-L360 HydrophobicContact CD2-CG 4.25Å; L232-L360 HydrophobicContact CG-CD1 4.3Å; V345-L360 HydrophobicContact CG2-CB 4.43Å; T358-L360 PolarHBondContact O-N 3.34Å; L360-R362 VanDerWaalsContact C-N 3.26Å; L360-R362 PolarHBondContact O-N 3.37Å; L360-L363 PolarHBondContact O-N 3.07Å; L360-F364 PolarHBondContact O-N 2.98Å; L360-F409 HydrophobicContact CD2-CE1 4.38Å; L360-F409 HydrophobicContact CD2-CZ 3.91Å; L360-F409 HydrophobicContact CG-CE1 4.05Å; L360-F409 HydrophobicContact CG-CZ 4.07Å
361	V	46.2	Very low	46.7	Very low	75 Å²	75	72.1 Å²	72.1	46%	0.455	38%	0.378	S	S	.	.	H	α-helix	trans	-54.7	-41.7	176.9	177.5	0	0	0	0	111.8	K359 F364 W365 F409	K359-V361 VanDerWaalsContact C-N 3.29Å; K359-V361 PolarHBondContact O-N 2.98Å; V361-F364 PolarHBondContact O-N 2.93Å; V361-W365 PolarHBondContact O-N 3.15Å; V361-W365 VanDerWaalsContact O-N 3.13Å; V361-F409 HydrophobicContact CG2-CD1 4.47Å; V361-F409 HydrophobicContact CG2-CE1 4.36Å
362	R	48.7	Very low	46.8	Very low	141 Å²	141	68.1 Å²	68.1	53%	0.532	35%	0.35	S	S	.	.	H	α-helix	trans	-66.3	-45.9	179.2	177.4	174.8	173.8	178.4	2.6	111.6	K359 L360 F364 W365 D366	K359-R362 WeakPolarHBondContact O-CB 3.47Å; K359-R362 PolarHBondContact O-N 3.3Å; L360-R362 VanDerWaalsContact C-N 3.26Å; L360-R362 PolarHBondContact O-N 3.37Å; R362-F364 PolarHBondContact O-N 3.34Å; R362-W365 PolarHBondContact O-N 3.38Å; R362-D366 WeakPolarHBondContact CG-OD2 3.14Å; R362-D366 IonicContact NE-OD2 2.6Å; R362-D366 WeakPolarHBondContact O-CB 3.45Å; R362-D366 VanDerWaalsContact O-CG 3.28Å; R362-D366 PolarHBondContact O-N 2.87Å
363	L	48.1	Very low	46.8	Very low	19 Å²	19	66.7 Å²	66.7	10%	0.099	34%	0.344	C	S	.	.	H	α-helix	trans	-57.3	-35.3	176.4	-67.8	165	0	0	0	111.7	V236 V345 T358 K359 L360 W367	V236-L363 HydrophobicContact CG1-CD1 4.42Å; V236-L363 HydrophobicContact CG1-CD2 3.95Å; V236-L363 HydrophobicContact CG2-CD1 3.81Å; V236-L363 HydrophobicContact CG2-CD2 4.39Å; V345-L363 HydrophobicContact CB-CD1 4.32Å; V345-L363 HydrophobicContact CG2-CD1 4.28Å; T358-L363 HydrophobicContact CG2-CD1 4.07Å; T358-L363 HydrophobicContact CG2-CD2 3.86Å; T358-L363 HydrophobicContact CG2-CG 3.67Å; K359-L363 PolarHBondContact O-N 3.19Å; L360-L363 PolarHBondContact O-N 3.07Å; L363-W367 WeakPolarHBondContact O-CB 3.36Å; L363-W367 PolarHBondContact O-N 2.87Å
364	F	50.6	Low	47	Very low	26 Å²	26	69.9 Å²	69.9	11%	0.114	36%	0.359	C	S	.	.	H	α-helix	trans	-70.3	-45.3	177.1	179.5	-106.8	0	0	0	113.2	L360 V361 R362 W367 L368 L404 F409	L360-F364 PolarHBondContact O-N 2.98Å; V361-F364 PolarHBondContact O-N 2.93Å; R362-F364 PolarHBondContact O-N 3.34Å; F364-W367 HydrophobicContact CD2-CE3 4.27Å; F364-W367 AromaticContact CE2-CE3 3.87Å; F364-W367 HydrophobicContact CE2-CE3 3.87Å; F364-W367 HydrophobicContact CE2-CZ3 4.01Å; F364-W367 WeakPolarHBondContact O-CB 3.32Å; F364-W367 PolarHBondContact O-N 2.66Å; F364-L368 HydrophobicContact CD1-CD1 4.08Å; F364-L368 HydrophobicContact CE1-CD1 3.32Å; F364-L368 HydrophobicContact CE1-CG 4.15Å; F364-L368 HydrophobicContact CE2-CD1 4.31Å; F364-L368 HydrophobicContact CE2-CG 4.3Å; F364-L368 HydrophobicContact CZ-CD1 3.42Å; F364-L368 VanDerWaalsContact CZ-CD1 3.42Å; F364-L368 HydrophobicContact CZ-CD2 4.31Å; F364-L368 HydrophobicContact CZ-CG 3.85Å; F364-L368 PolarHBondContact O-N 3.34Å; F364-L404 HydrophobicContact CD2-CD2 4.09Å; F364-L404 HydrophobicContact CE1-CD2 4.17Å; F364-L404 HydrophobicContact CE2-CD1 3.65Å; F364-L404 HydrophobicContact CE2-CD2 3.5Å; F364-L404 HydrophobicContact CE2-CG 4.22Å; F364-L404 HydrophobicContact CZ-CD1 3.43Å; F364-L404 VanDerWaalsContact CZ-CD1 3.43Å; F364-L404 HydrophobicContact CZ-CD2 3.57Å; F364-L404 HydrophobicContact CZ-CG 4.05Å; F364-F409 HydrophobicContact CB-CD1 4.49Å; F364-F409 HydrophobicContact CD1-CB 4.41Å; F364-F409 HydrophobicContact CD1-CD1 4.18Å; F364-F409 HydrophobicContact CE1-CB 4.41Å; F364-F409 HydrophobicContact CG-CD1 4.36Å
365	W	51.4	Low	46.9	Very low	2 Å²	2	66.4 Å²	66.4	1%	0.008	34%	0.335	C	S	.	.	H	α-helix	trans	-68.6	-38	174.7	-66.2	106	0	0	0	112.6	V361 R362 W367 L368 K369 C370 N375 A380 W410	V361-W365 PolarHBondContact O-N 3.15Å; V361-W365 VanDerWaalsContact O-N 3.13Å; R362-W365 PolarHBondContact O-N 3.38Å; W365-W367 VanDerWaalsContact C-N 3.27Å; W365-W367 PolarHBondContact O-N 2.69Å; W365-L368 HydrophobicContact CD2-CD1 4.48Å; W365-L368 HydrophobicContact CE3-CD1 3.9Å; W365-L368 HydrophobicContact CZ3-CD1 4.25Å; W365-L368 CarbonylContact O-C 3.41Å; W365-L368 WeakPolarHBondContact O-CA 3.12Å; W365-L368 WeakPolarHBondContact O-CB 3.26Å; W365-L368 PolarHBondContact O-N 3.17Å; W365-K369 PolarHBondContact O-N 3.18Å; W365-C370 CarbonylContact C-O 3.53Å; W365-C370 HydrophobicContact CB-CB 4.38Å; W365-C370 HydrophobicContact CE3-CB 3.78Å; W365-C370 PolarHBondContact O-N 3.28Å; W365-C370 VanDerWaalsContact O-O 3.09Å; W365-N375 HydrophobicContact CD2-CB 4.47Å; W365-N375 HydrophobicContact CH2-CB 3.97Å; W365-N375 WeakPolarHBondContact CH2-O 3.4Å; W365-N375 HydrophobicContact CZ2-CB 3.83Å; W365-N375 HydrophobicContact CZ3-CB 4.33Å; W365-N375 WeakPolarHBondContact CZ3-O 3.4Å; W365-N375 PolarHBondContact NE1-OD1 2.92Å; W365-A380 HydrophobicContact CE3-CB 4.34Å; W365-A380 HydrophobicContact CZ3-CB 3.72Å; W365-W410 AromaticContact CH2-NE1 3.75Å
366	D	53.6	Low	47	Very low	61 Å²	61	67.7 Å²	67.7	33%	0.326	34%	0.339	S	S	.	.	H	α-helix	trans	-60.3	-37.8	171.6	-71.6	-25.6	0	0	0	110.8	R362 K369	R362-D366 WeakPolarHBondContact CG-OD2 3.14Å; R362-D366 IonicContact NE-OD2 2.6Å; R362-D366 WeakPolarHBondContact O-CB 3.45Å; R362-D366 VanDerWaalsContact O-CG 3.28Å; R362-D366 PolarHBondContact O-N 2.87Å; D366-K369 PolarHBondContact O-N 3.14Å
367	W	46.9	Very low	46.7	Very low	27 Å²	27	65.5 Å²	65.5	10%	0.102	33%	0.333	C	S	.	.	H	α-helix	trans	-66.2	-41.5	169.6	178.8	86.6	0	0	0	111.7	Y235 Y239 L363 F364 W365 K369 L384 R387 L400	Y235-W367 VanDerWaalsContact OH-CD1 3.25Å; Y235-W367 PolarHBondContact OH-NE1 3.16Å; Y239-W367 AromaticContact CE2-CD1 3.84Å; L363-W367 WeakPolarHBondContact O-CB 3.36Å; L363-W367 PolarHBondContact O-N 2.87Å; F364-W367 HydrophobicContact CD2-CE3 4.27Å; F364-W367 AromaticContact CE2-CE3 3.87Å; F364-W367 HydrophobicContact CE2-CE3 3.87Å; F364-W367 HydrophobicContact CE2-CZ3 4.01Å; F364-W367 WeakPolarHBondContact O-CB 3.32Å; F364-W367 PolarHBondContact O-N 2.66Å; W365-W367 VanDerWaalsContact C-N 3.27Å; W365-W367 PolarHBondContact O-N 2.69Å; W367-K369 PolarHBondContact O-N 3.16Å; W367-L384 HydrophobicContact CH2-CD1 3.86Å; W367-L384 HydrophobicContact CZ3-CD1 4.05Å; W367-R387 PolarHBondContact O-NE 3.11Å; W367-R387 VanDerWaalsContact O-NE 3.13Å; W367-R387 PolarHBondContact O-NH2 3.44Å; W367-L400 HydrophobicContact CH2-CD2 3.6Å; W367-L400 HydrophobicContact CZ3-CD2 4.04Å
368	L	51.3	Low	46.8	Very low	2 Å²	2	64.6 Å²	64.6	1%	0.01	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-1.8	171.3	-72.7	170.6	0	0	0	114.6	F364 W365 C370 A380 N383 L384	F364-L368 HydrophobicContact CD1-CD1 4.08Å; F364-L368 HydrophobicContact CE1-CD1 3.32Å; F364-L368 HydrophobicContact CE1-CG 4.15Å; F364-L368 HydrophobicContact CE2-CD1 4.31Å; F364-L368 HydrophobicContact CE2-CG 4.3Å; F364-L368 HydrophobicContact CZ-CD1 3.42Å; F364-L368 VanDerWaalsContact CZ-CD1 3.42Å; F364-L368 HydrophobicContact CZ-CD2 4.31Å; F364-L368 HydrophobicContact CZ-CG 3.85Å; F364-L368 PolarHBondContact O-N 3.34Å; W365-L368 HydrophobicContact CD2-CD1 4.48Å; W365-L368 HydrophobicContact CE3-CD1 3.9Å; W365-L368 HydrophobicContact CZ3-CD1 4.25Å; W365-L368 CarbonylContact O-C 3.41Å; W365-L368 WeakPolarHBondContact O-CA 3.12Å; W365-L368 WeakPolarHBondContact O-CB 3.26Å; W365-L368 PolarHBondContact O-N 3.17Å; L368-C370 PolarHBondContact O-N 3.42Å; L368-A380 HydrophobicContact CD1-CB 3.77Å; L368-N383 WeakPolarHBondContact O-CB 3.26Å; L368-N383 PolarHBondContact O-ND2 2.95Å; L368-L384 HydrophobicContact CD2-CB 4.3Å; L368-L384 HydrophobicContact CD2-CD1 4.27Å
369	K	52.5	Low	47	Very low	149 Å²	149	66.5 Å²	66.5	65%	0.648	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	18.5	-170.1	-60.7	-178	175	179.9	0	113.9	W365 D366 W367	W365-K369 PolarHBondContact O-N 3.18Å; D366-K369 PolarHBondContact O-N 3.14Å; W367-K369 PolarHBondContact O-N 3.16Å
370	C	50.6	Low	47	Very low	8 Å²	8	59.5 Å²	59.5	5%	0.054	32%	0.315	C	S	.	.			trans	-88.1	136.8	171	-60.3	0	0	0	0	108.7	W365 L368 S372 A380	W365-C370 CarbonylContact C-O 3.53Å; W365-C370 HydrophobicContact CB-CB 4.38Å; W365-C370 HydrophobicContact CE3-CB 3.78Å; W365-C370 PolarHBondContact O-N 3.28Å; W365-C370 VanDerWaalsContact O-O 3.09Å; L368-C370 PolarHBondContact O-N 3.42Å; C370-S372 PolarHBondContact O-N 2.75Å; C370-A380 VanDerWaalsContact SG-CA 3.53Å; C370-A380 PolarHBondContact SG-N 3.16Å
371	R	47.8	Very low	47.1	Very low	204 Å²	204	64.4 Å²	64.4	77%	0.77	33%	0.332	S	S	*	.			trans	-68.6	133.5	169.7	-69.3	-179	173.9	-169.7	-1.8	108.1	A373 D374	R371-A373 PolarHBondContact O-N 2.82Å; R371-D374 PolarHBondContact O-N 3.19Å
372	S	45.6	Very low	47.1	Very low	53 Å²	53	68.2 Å²	68.2	37%	0.371	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	6.9	-172	74.2	0	0	0	0	115.5	C370	C370-S372 PolarHBondContact O-N 2.75Å
373	A	42.4	Very low	47	Very low	83 Å²	83	63.3 Å²	63.3	69%	0.686	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-45	171.2	0	0	0	0	0	110.6	R371	R371-A373 PolarHBondContact O-N 2.82Å
374	D	44.9	Very low	47	Very low	99 Å²	99	62.7 Å²	62.7	53%	0.529	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-30.2	-164.2	-41.7	-50.1	0	0	0	112.3	R371 D376	R371-D374 PolarHBondContact O-N 3.19Å; D374-D376 PolarHBondContact O-N 2.96Å
375	N	42.5	Very low	46.6	Very low	31 Å²	31	64.5 Å²	64.5	17%	0.166	35%	0.35	C	S	.	.			trans	46.5	29.9	-179.4	-60.9	-42.9	0	0	0	114.5	W365 V377	W365-N375 HydrophobicContact CD2-CB 4.47Å; W365-N375 HydrophobicContact CH2-CB 3.97Å; W365-N375 WeakPolarHBondContact CH2-O 3.4Å; W365-N375 HydrophobicContact CZ2-CB 3.83Å; W365-N375 HydrophobicContact CZ3-CB 4.33Å; W365-N375 WeakPolarHBondContact CZ3-O 3.4Å; W365-N375 PolarHBondContact NE1-OD1 2.92Å; N375-V377 PolarHBondContact O-N 3.46Å
376	D	43.7	Very low	46.3	Very low	72 Å²	72	68.1 Å²	68.1	39%	0.385	38%	0.38	S	S	.	.			trans	-63.5	117	-172.4	-179.2	-29.9	0	0	0	110.8	D374 G378 V379 A380	D374-D376 PolarHBondContact O-N 2.96Å; D376-G378 VanDerWaalsContact OD1-CA 3.32Å; D376-G378 WeakPolarHBondContact OD1-CA 3.31Å; D376-G378 PolarHBondContact OD1-N 2.98Å; D376-V379 HydrophobicContact CB-CB 3.96Å; D376-V379 HydrophobicContact CB-CG2 4.03Å; D376-V379 PolarHBondContact O-N 3.41Å; D376-V379 PolarHBondContact OD1-N 2.94Å; D376-V379 WeakPolarHBondContact OD2-CG2 3.1Å; D376-A380 VanDerWaalsContact O-CB 3.28Å; D376-A380 WeakPolarHBondContact O-CB 3.38Å; D376-A380 PolarHBondContact O-N 2.78Å
377	V	41.8	Very low	45.7	Very low	69 Å²	69	66.3 Å²	66.3	42%	0.418	37%	0.369	S	S	.	.	H	α-helix	trans	-62.7	-40.3	-179.8	-177.1	0	0	0	0	111.8	N375 W381 W410	N375-V377 PolarHBondContact O-N 3.46Å; V377-W381 VanDerWaalsContact O-CB 3.32Å; V377-W381 WeakPolarHBondContact O-CB 3.4Å; V377-W381 PolarHBondContact O-N 3.07Å; V377-W410 HydrophobicContact CG1-CZ2 4.32Å
378	G	43	Very low	45.2	Very low	45 Å²	45	73.3 Å²	73.3	46%	0.464	40%	0.395	S	S	.	.	H	α-helix	trans	-71.9	-41	179.5	0	0	0	0	0	112	D376 W381 K382	D376-G378 VanDerWaalsContact OD1-CA 3.32Å; D376-G378 WeakPolarHBondContact OD1-CA 3.31Å; D376-G378 PolarHBondContact OD1-N 2.98Å; G378-W381 PolarHBondContact O-N 2.92Å; G378-K382 WeakPolarHBondContact O-CB 3.48Å; G378-K382 PolarHBondContact O-N 3.35Å
379	V	46.3	Very low	44.4	Very low	58 Å²	58	75.5 Å²	75.5	35%	0.352	41%	0.405	S	S	.	.	H	α-helix	trans	-66.8	-40.8	173.2	175.6	0	0	0	0	110.9	D376 K382 N383	D376-V379 HydrophobicContact CB-CB 3.96Å; D376-V379 HydrophobicContact CB-CG2 4.03Å; D376-V379 PolarHBondContact O-N 3.41Å; D376-V379 PolarHBondContact OD1-N 2.94Å; D376-V379 WeakPolarHBondContact OD2-CG2 3.1Å; V379-K382 PolarHBondContact O-N 3.37Å; V379-N383 VanDerWaalsContact O-CB 3.24Å; V379-N383 WeakPolarHBondContact O-CB 3.13Å; V379-N383 PolarHBondContact O-N 2.93Å; V379-N383 PolarHBondContact O-ND2 3.18Å
380	A	46.1	Very low	43.7	Very low	0 Å²	0	69.2 Å²	69.2	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-60.2	-47.9	173.3	0	0	0	0	0	112.4	W365 L368 C370 D376 N383 L384 W410	W365-A380 HydrophobicContact CE3-CB 4.34Å; W365-A380 HydrophobicContact CZ3-CB 3.72Å; L368-A380 HydrophobicContact CD1-CB 3.77Å; C370-A380 VanDerWaalsContact SG-CA 3.53Å; C370-A380 PolarHBondContact SG-N 3.16Å; D376-A380 VanDerWaalsContact O-CB 3.28Å; D376-A380 WeakPolarHBondContact O-CB 3.38Å; D376-A380 PolarHBondContact O-N 2.78Å; A380-N383 PolarHBondContact O-N 2.85Å; A380-L384 WeakPolarHBondContact O-CB 3.5Å; A380-L384 PolarHBondContact O-N 3.11Å; A380-W410 HydrophobicContact CB-CZ2 4.09Å
381	W	45.2	Very low	42.8	Very low	128 Å²	128	70.3 Å²	70.3	49%	0.485	39%	0.394	S	S	.	.	H	α-helix	trans	-63.4	-45.2	177.5	-172.9	-103.4	0	0	0	111.9	M186 V377 G378 N383 L384 G385 A401	M186-W381 HydrophobicContact CE-CH2 4.37Å; V377-W381 VanDerWaalsContact O-CB 3.32Å; V377-W381 WeakPolarHBondContact O-CB 3.4Å; V377-W381 PolarHBondContact O-N 3.07Å; G378-W381 PolarHBondContact O-N 2.92Å; W381-N383 VanDerWaalsContact C-N 3.33Å; W381-N383 PolarHBondContact O-N 3.48Å; W381-L384 HydrophobicContact CE3-CD2 4.45Å; W381-L384 HydrophobicContact CZ3-CD2 4.45Å; W381-L384 PolarHBondContact O-N 3.45Å; W381-G385 PolarHBondContact O-N 3.28Å; W381-A401 HydrophobicContact CZ3-CB 3.75Å
382	K	45.3	Very low	41.9	Very low	156 Å²	156	69.2 Å²	69.2	68%	0.678	40%	0.395	S	S	*	.	H	α-helix	trans	-60	-41.8	175	-175.9	175.1	-178.2	175.6	0	111.8	G378 V379 A386	G378-K382 WeakPolarHBondContact O-CB 3.48Å; G378-K382 PolarHBondContact O-N 3.35Å; V379-K382 PolarHBondContact O-N 3.37Å; K382-A386 WeakPolarHBondContact O-CB 3.38Å; K382-A386 PolarHBondContact O-N 3.49Å
383	N	48	Very low	41.4	Very low	38 Å²	38	70.8 Å²	70.8	20%	0.203	40%	0.395	C	S	.	.	H	α-helix	trans	-72.3	-33.8	177.3	-73	-18.6	0	0	0	112.5	L368 V379 A380 W381 R387	L368-N383 WeakPolarHBondContact O-CB 3.26Å; L368-N383 PolarHBondContact O-ND2 2.95Å; V379-N383 VanDerWaalsContact O-CB 3.24Å; V379-N383 WeakPolarHBondContact O-CB 3.13Å; V379-N383 PolarHBondContact O-N 2.93Å; V379-N383 PolarHBondContact O-ND2 3.18Å; A380-N383 PolarHBondContact O-N 2.85Å; W381-N383 VanDerWaalsContact C-N 3.33Å; W381-N383 PolarHBondContact O-N 3.48Å; N383-R387 WeakPolarHBondContact O-CB 3.41Å; N383-R387 WeakPolarHBondContact O-CD 3.39Å; N383-R387 WeakPolarHBondContact O-CG 2.89Å; N383-R387 PolarHBondContact O-N 3.5Å
384	L	46.6	Very low	41	Very low	5 Å²	5	71.2 Å²	71.2	3%	0.026	39%	0.391	C	S	.	.	H	α-helix	trans	-67.3	-46.7	174.2	-172.9	71.4	0	0	0	110.9	W367 L368 A380 W381 R387 A397 L400 A401	W367-L384 HydrophobicContact CH2-CD1 3.86Å; W367-L384 HydrophobicContact CZ3-CD1 4.05Å; L368-L384 HydrophobicContact CD2-CB 4.3Å; L368-L384 HydrophobicContact CD2-CD1 4.27Å; A380-L384 WeakPolarHBondContact O-CB 3.5Å; A380-L384 PolarHBondContact O-N 3.11Å; W381-L384 HydrophobicContact CE3-CD2 4.45Å; W381-L384 HydrophobicContact CZ3-CD2 4.45Å; W381-L384 PolarHBondContact O-N 3.45Å; L384-R387 WeakPolarHBondContact O-CB 3.2Å; L384-R387 PolarHBondContact O-N 2.96Å; L384-A397 HydrophobicContact CD2-CB 4.49Å; L384-A397 HydrophobicContact CG-CB 4.49Å; L384-L400 HydrophobicContact CD1-CD2 3.95Å; L384-A401 HydrophobicContact CD2-CB 3.96Å
385	G	43.9	Very low	40.5	Very low	65 Å²	65	70.5 Å²	70.5	67%	0.67	39%	0.39	S	S	*	.	H	α-helix	trans	-69	-32.9	176.4	0	0	0	0	0	114	W381 R387	W381-G385 PolarHBondContact O-N 3.28Å; G385-R387 VanDerWaalsContact C-N 3.31Å
386	A	43.5	Very low	40	Very low	77 Å²	77	71.2 Å²	71.2	64%	0.636	40%	0.398	S	S	*	.	H	α-helix	trans	-79.7	-11.7	173.5	0	0	0	0	0	113.5	K382 R388	K382-A386 WeakPolarHBondContact O-CB 3.38Å; K382-A386 PolarHBondContact O-N 3.49Å; A386-R388 PolarHBondContact O-N 3.21Å
387	R	41	Very low	39.7	Very low	24 Å²	24	68.4 Å²	68.4	9%	0.091	38%	0.384	C	S	.	.			trans	-80.1	109.9	175.3	-92.9	167.8	168.3	-88.8	-11.8	109.6	W367 N383 L384 G385 Q389 A390	W367-R387 PolarHBondContact O-NE 3.11Å; W367-R387 VanDerWaalsContact O-NE 3.13Å; W367-R387 PolarHBondContact O-NH2 3.44Å; N383-R387 WeakPolarHBondContact O-CB 3.41Å; N383-R387 WeakPolarHBondContact O-CD 3.39Å; N383-R387 WeakPolarHBondContact O-CG 2.89Å; N383-R387 PolarHBondContact O-N 3.5Å; L384-R387 WeakPolarHBondContact O-CB 3.2Å; L384-R387 PolarHBondContact O-N 2.96Å; G385-R387 VanDerWaalsContact C-N 3.31Å; R387-Q389 HydrophobicContact CB-CB 4.08Å; R387-Q389 HydrophobicContact CB-CG 3.81Å; R387-Q389 HydrophobicContact CG-CG 3.85Å; R387-Q389 PolarHBondContact O-N 2.83Å; R387-A390 PolarHBondContact O-N 3.28Å; R387-A390 VanDerWaalsContact O-N 3.1Å
388	R	37.5	Very low	39.5	Very low	173 Å²	173	66.9 Å²	66.9	65%	0.653	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-50.3	-20.7	164.9	-64.8	-176.7	-179.5	-177.8	-1.2	112.8	D255 A386 A390 G391 F392	D255-R388 HydrophobicContact CB-CB 4.36Å; A386-R388 PolarHBondContact O-N 3.21Å; R388-A390 PolarHBondContact O-N 3.48Å; R388-G391 WeakPolarHBondContact O-CA 3.33Å; R388-G391 PolarHBondContact O-N 2.93Å; R388-F392 HydrophobicContact CG-CE2 4.38Å; R388-F392 HydrophobicContact CG-CZ 3.96Å
389	Q	34.8	Very low	39.2	Very low	49 Å²	49	68.4 Å²	68.4	23%	0.229	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-49.5	-34	172.3	-41	-116.6	-62	0	0	114.4	D255 R387 G391	D255-Q389 VanDerWaalsContact CG-CG 3.45Å; D255-Q389 WeakPolarHBondContact OD1-CA 3.46Å; D255-Q389 VanDerWaalsContact OD1-CB 3.22Å; D255-Q389 WeakPolarHBondContact OD1-CB 3.36Å; D255-Q389 WeakPolarHBondContact OD1-CG 3.49Å; D255-Q389 PolarHBondContact OD1-NE2 3.32Å; D255-Q389 VanDerWaalsContact OD2-CG 3.27Å; D255-Q389 WeakPolarHBondContact OD2-CG 3.1Å; D255-Q389 PolarHBondContact OD2-N 2.88Å; D255-Q389 PolarHBondContact OD2-NE2 3.32Å; R387-Q389 HydrophobicContact CB-CB 4.08Å; R387-Q389 HydrophobicContact CB-CG 3.81Å; R387-Q389 HydrophobicContact CG-CG 3.85Å; R387-Q389 PolarHBondContact O-N 2.83Å; Q389-G391 PolarHBondContact O-N 3.35Å
390	A	38	Very low	38.8	Very low	16 Å²	16	66.8 Å²	66.8	13%	0.132	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-79.9	0.4	177.6	0	0	0	0	0	113.6	R387 R388 S396 A397	R387-A390 PolarHBondContact O-N 3.28Å; R387-A390 VanDerWaalsContact O-N 3.1Å; R388-A390 PolarHBondContact O-N 3.48Å; A390-S396 VanDerWaalsContact O-CB 3.3Å; A390-S396 WeakPolarHBondContact O-CB 3.47Å; A390-S396 PolarHBondContact O-OG 3.25Å; A390-A397 HydrophobicContact CB-CB 3.66Å
391	G	29.9	Very low	38.6	Very low	32 Å²	32	67 Å²	67	33%	0.33	37%	0.365	S	S	.	.			trans	70.2	166.1	-162.9	0	0	0	0	0	112.1	R388 Q389 K393	R388-G391 WeakPolarHBondContact O-CA 3.33Å; R388-G391 PolarHBondContact O-N 2.93Å; Q389-G391 PolarHBondContact O-N 3.35Å; G391-K393 PolarHBondContact O-N 3.14Å
392	F	30.1	Very low	38.3	Very low	180 Å²	180	62.5 Å²	62.5	79%	0.789	36%	0.355	S	S	*	.	S	Bend	trans	-74.4	23.3	171	-69.2	-84.2	0	0	0	113.1	R388	R388-F392 HydrophobicContact CG-CE2 4.38Å; R388-F392 HydrophobicContact CG-CZ 3.96Å
393	K	34	Very low	37.9	Very low	86 Å²	86	57.8 Å²	57.8	37%	0.374	34%	0.335	S	S	.	.			trans	-122.4	115.4	-178.7	-68.6	-166.2	174.1	-168	0	109	P313 G391 V395 S396	P313-K393 PolarHBondContact O-NZ 2.9Å; G391-K393 PolarHBondContact O-N 3.14Å; K393-V395 PolarHBondContact O-N 2.78Å; K393-V395 VanDerWaalsContact O-N 3.08Å; K393-S396 PolarHBondContact O-N 3.36Å; K393-S396 PolarHBondContact O-OG 3.37Å
394	P	34.3	Very low	37.4	Very low	93 Å²	93	56.4 Å²	56.4	60%	0.604	33%	0.328	S	S	*	.	H	α-helix	trans	-51.9	-36.2	-178.4	-30.4	36.2	0	0	0	113.6	S396 A397 I398	P394-S396 VanDerWaalsContact C-N 3.33Å; P394-S396 PolarHBondContact O-N 3.31Å; P394-A397 WeakPolarHBondContact O-CA 3.49Å; P394-A397 WeakPolarHBondContact O-CB 3.34Å; P394-A397 PolarHBondContact O-N 2.69Å; P394-I398 HydrophobicContact CB-CD1 3.87Å; P394-I398 WeakPolarHBondContact O-CB 3.45Å; P394-I398 WeakPolarHBondContact O-CG1 3.48Å; P394-I398 PolarHBondContact O-N 3.14Å
395	V	34.5	Very low	37	Very low	83 Å²	83	61.8 Å²	61.8	50%	0.503	35%	0.351	S	S	.	.	H	α-helix	trans	-49.5	-46.7	-177.2	-171.7	0	0	0	0	113.1	K393 A397 I398 T399	K393-V395 PolarHBondContact O-N 2.78Å; K393-V395 VanDerWaalsContact O-N 3.08Å; V395-A397 PolarHBondContact O-N 2.93Å; V395-I398 WeakPolarHBondContact O-CB 3.47Å; V395-I398 PolarHBondContact O-N 3.36Å; V395-I398 VanDerWaalsContact O-N 3.15Å; V395-T399 PolarHBondContact O-N 3.23Å; V395-T399 PolarHBondContact O-OG1 3.06Å; V395-T399 VanDerWaalsContact O-OG1 3.08Å
396	S	33.5	Very low	36.6	Very low	47 Å²	47	62.8 Å²	62.8	33%	0.329	34%	0.344	S	S	.	.	H	α-helix	trans	-72.1	-29.6	-179.2	18.8	0	0	0	0	113.4	A390 K393 P394 L400	A390-S396 VanDerWaalsContact O-CB 3.3Å; A390-S396 WeakPolarHBondContact O-CB 3.47Å; A390-S396 PolarHBondContact O-OG 3.25Å; K393-S396 PolarHBondContact O-N 3.36Å; K393-S396 PolarHBondContact O-OG 3.37Å; P394-S396 VanDerWaalsContact C-N 3.33Å; P394-S396 PolarHBondContact O-N 3.31Å; S396-L400 WeakPolarHBondContact O-CB 3.38Å; S396-L400 PolarHBondContact O-N 2.89Å
397	A	36.1	Very low	36.1	Very low	13 Å²	13	61.1 Å²	61.1	11%	0.107	32%	0.322	C	S	.	.	H	α-helix	trans	-66.5	-40.8	167.6	0	0	0	0	0	111.2	L384 A390 P394 V395 A401	L384-A397 HydrophobicContact CD2-CB 4.49Å; L384-A397 HydrophobicContact CG-CB 4.49Å; A390-A397 HydrophobicContact CB-CB 3.66Å; P394-A397 WeakPolarHBondContact O-CA 3.49Å; P394-A397 WeakPolarHBondContact O-CB 3.34Å; P394-A397 PolarHBondContact O-N 2.69Å; V395-A397 PolarHBondContact O-N 2.93Å; A397-A401 VanDerWaalsContact O-CB 3.28Å; A397-A401 WeakPolarHBondContact O-CB 3.38Å; A397-A401 PolarHBondContact O-N 3.45Å
398	I	38.1	Very low	35.9	Very low	36 Å²	36	68.5 Å²	68.5	19%	0.185	36%	0.355	C	S	.	.	H	α-helix	trans	-66.6	-50.2	-177	-70	169	0	0	0	111	M186 P394 V395 L400 A401 A402	M186-I398 HydrophobicContact CE-CB 4.05Å; M186-I398 HydrophobicContact CE-CD1 3.91Å; M186-I398 HydrophobicContact CE-CG1 3.52Å; M186-I398 HydrophobicContact CE-CG2 3.55Å; M186-I398 HydrophobicContact SD-CG2 4.48Å; P394-I398 HydrophobicContact CB-CD1 3.87Å; P394-I398 WeakPolarHBondContact O-CB 3.45Å; P394-I398 WeakPolarHBondContact O-CG1 3.48Å; P394-I398 PolarHBondContact O-N 3.14Å; V395-I398 WeakPolarHBondContact O-CB 3.47Å; V395-I398 PolarHBondContact O-N 3.36Å; V395-I398 VanDerWaalsContact O-N 3.15Å; I398-L400 VanDerWaalsContact C-N 3.3Å; I398-L400 PolarHBondContact O-N 2.89Å; I398-A401 PolarHBondContact O-N 3.25Å; I398-A402 VanDerWaalsContact O-CB 3.3Å; I398-A402 WeakPolarHBondContact O-CB 3.35Å; I398-A402 PolarHBondContact O-N 3.3Å
399	T	37.5	Very low	35.5	Very low	78 Å²	78	61.8 Å²	61.8	48%	0.479	33%	0.33	S	S	.	.	H	α-helix	trans	-59.8	-42.2	177.2	-51.3	0	0	0	0	111.3	V395 E403	V395-T399 PolarHBondContact O-N 3.23Å; V395-T399 PolarHBondContact O-OG1 3.06Å; V395-T399 VanDerWaalsContact O-OG1 3.08Å; T399-E403 PolarHBondContact O-N 3.17Å
400	L	37.5	Very low	35.3	Very low	24 Å²	24	60.4 Å²	60.4	13%	0.126	32%	0.323	C	S	.	.	H	α-helix	trans	-62.3	-50.1	176.4	-160.2	96.7	0	0	0	111.2	P262 W367 L384 S396 I398 E403 L404	P262-L400 VanDerWaalsContact CD-CD1 3.45Å; P262-L400 HydrophobicContact CG-CD1 4.28Å; W367-L400 HydrophobicContact CH2-CD2 3.6Å; W367-L400 HydrophobicContact CZ3-CD2 4.04Å; L384-L400 HydrophobicContact CD1-CD2 3.95Å; S396-L400 WeakPolarHBondContact O-CB 3.38Å; S396-L400 PolarHBondContact O-N 2.89Å; I398-L400 VanDerWaalsContact C-N 3.3Å; I398-L400 PolarHBondContact O-N 2.89Å; L400-E403 PolarHBondContact O-N 3.43Å; L400-L404 HydrophobicContact CD2-CD1 4.08Å; L400-L404 HydrophobicContact CG-CD1 4.14Å; L400-L404 VanDerWaalsContact O-CD1 3.3Å; L400-L404 WeakPolarHBondContact O-CD1 3.49Å; L400-L404 VanDerWaalsContact O-CG 3.23Å; L400-L404 WeakPolarHBondContact O-CG 3.48Å; L400-L404 PolarHBondContact O-N 2.68Å; L400-L404 VanDerWaalsContact O-N 3.09Å
401	A	40.4	Very low	34.8	Very low	4 Å²	4	62.5 Å²	62.5	3%	0.033	34%	0.335	C	S	.	.	H	α-helix	trans	-65.7	-39	-178.5	0	0	0	0	0	113.1	W381 L384 A397 I398 L404 F405	W381-A401 HydrophobicContact CZ3-CB 3.75Å; L384-A401 HydrophobicContact CD2-CB 3.96Å; A397-A401 VanDerWaalsContact O-CB 3.28Å; A397-A401 WeakPolarHBondContact O-CB 3.38Å; A397-A401 PolarHBondContact O-N 3.45Å; I398-A401 PolarHBondContact O-N 3.25Å; A401-L404 PolarHBondContact O-N 2.9Å; A401-F405 PolarHBondContact O-N 2.68Å
402	A	38.9	Very low	34.9	Very low	34 Å²	34	71.2 Å²	71.2	28%	0.281	36%	0.364	S	S	.	.	H	α-helix	trans	-59.5	-47.3	175.6	0	0	0	0	0	111	I398 L404 F405 T406	I398-A402 VanDerWaalsContact O-CB 3.3Å; I398-A402 WeakPolarHBondContact O-CB 3.35Å; I398-A402 PolarHBondContact O-N 3.3Å; A402-L404 VanDerWaalsContact C-N 3.28Å; A402-L404 PolarHBondContact O-N 3.04Å; A402-F405 WeakPolarHBondContact O-CB 3.49Å; A402-F405 PolarHBondContact O-N 3.22Å; A402-F405 VanDerWaalsContact O-N 3.11Å; A402-T406 PolarHBondContact O-N 3.2Å; A402-T406 PolarHBondContact O-OG1 3.49Å
403	E	38.8	Very low	34.7	Very low	56 Å²	56	66.3 Å²	66.3	26%	0.262	36%	0.356	S	S	.	.	H	α-helix	trans	-70.6	-22.1	179.6	-170.9	65.3	116.3	0	0	113.4	T399 L400 T406 R407	T399-E403 PolarHBondContact O-N 3.17Å; L400-E403 PolarHBondContact O-N 3.43Å; E403-T406 VanDerWaalsContact CA-OG1 3.29Å; E403-T406 WeakPolarHBondContact CA-OG1 3.47Å; E403-T406 PolarHBondContact O-OG1 3.09Å; E403-T406 PolarHBondContact OE2-OG1 3.19Å; E403-R407 VanDerWaalsContact CD-NH1 3.34Å; E403-R407 VanDerWaalsContact O-CB 3.25Å; E403-R407 WeakPolarHBondContact O-CB 3.34Å; E403-R407 WeakPolarHBondContact O-CD 3.39Å; E403-R407 VanDerWaalsContact O-CG 3.27Å; E403-R407 WeakPolarHBondContact O-CG 3.38Å; E403-R407 PolarHBondContact O-N 2.73Å; E403-R407 IonicContact OE1-CZ 3.92Å; E403-R407 IonicContact OE1-NE 3.56Å; E403-R407 IonicContact OE1-NH1 3.15Å; E403-R407 PolarHBondContact OE1-NH1 2.65Å; E403-R407 IonicContact OE1-NH2 3.32Å; E403-R407 PolarHBondContact OE1-NH2 2.92Å; E403-R407 IonicContact OE2-CZ 3.83Å; E403-R407 IonicContact OE2-NE 2.7Å; E403-R407 PolarHBondContact OE2-NE 3.08Å; E403-R407 VanDerWaalsContact OE2-NE 3.15Å; E403-R407 IonicContact OE2-NH1 3.49Å; E403-R407 IonicContact OE2-NH2 2.78Å
404	L	37.2	Very low	34.3	Very low	9 Å²	9	68 Å²	68	5%	0.047	37%	0.369	C	S	.	.	H	α-helix	trans	-77.3	-32.6	170.1	-70.2	160	0	0	0	112.1	F364 L400 A401 A402 K408 F409 W410	F364-L404 HydrophobicContact CD2-CD2 4.09Å; F364-L404 HydrophobicContact CE1-CD2 4.17Å; F364-L404 HydrophobicContact CE2-CD1 3.65Å; F364-L404 HydrophobicContact CE2-CD2 3.5Å; F364-L404 HydrophobicContact CE2-CG 4.22Å; F364-L404 HydrophobicContact CZ-CD1 3.43Å; F364-L404 VanDerWaalsContact CZ-CD1 3.43Å; F364-L404 HydrophobicContact CZ-CD2 3.57Å; F364-L404 HydrophobicContact CZ-CG 4.05Å; L400-L404 HydrophobicContact CD2-CD1 4.08Å; L400-L404 HydrophobicContact CG-CD1 4.14Å; L400-L404 VanDerWaalsContact O-CD1 3.3Å; L400-L404 WeakPolarHBondContact O-CD1 3.49Å; L400-L404 VanDerWaalsContact O-CG 3.23Å; L400-L404 WeakPolarHBondContact O-CG 3.48Å; L400-L404 PolarHBondContact O-N 2.68Å; L400-L404 VanDerWaalsContact O-N 3.09Å; A401-L404 PolarHBondContact O-N 2.9Å; A402-L404 VanDerWaalsContact C-N 3.28Å; A402-L404 PolarHBondContact O-N 3.04Å; L404-K408 PolarHBondContact O-N 3Å; L404-F409 HydrophobicContact CD2-CB 4.27Å; L404-F409 HydrophobicContact CD2-CD2 4.09Å; L404-F409 HydrophobicContact CD2-CG 4.23Å; L404-F409 PolarHBondContact O-N 2.87Å; L404-F409 VanDerWaalsContact O-N 3.09Å; L404-W410 HydrophobicContact CB-CE3 4.38Å; L404-W410 HydrophobicContact CB-CZ3 4.2Å
405	F	37	Very low	33.9	Very low	119 Å²	119	69 Å²	69	52%	0.522	38%	0.375	S	S	.	.	H	α-helix	trans	-71.4	-51.9	175.6	-110	-82.8	0	0	0	112.3	A401 A402 R407 K408 W410	A401-F405 PolarHBondContact O-N 2.68Å; A402-F405 WeakPolarHBondContact O-CB 3.49Å; A402-F405 PolarHBondContact O-N 3.22Å; A402-F405 VanDerWaalsContact O-N 3.11Å; F405-R407 PolarHBondContact O-N 2.86Å; F405-K408 PolarHBondContact O-N 3.3Å; F405-K408 VanDerWaalsContact O-N 3.08Å; F405-W410 HydrophobicContact CD2-CD2 4.04Å; F405-W410 AromaticContact CD2-CE3 3.31Å; F405-W410 HydrophobicContact CD2-CE3 3.31Å; F405-W410 AromaticContact CD2-CZ3 3.61Å; F405-W410 HydrophobicContact CD2-CZ3 3.61Å; F405-W410 HydrophobicContact CE1-CB 4.46Å; F405-W410 AromaticContact CE2-CD2 3.66Å; F405-W410 HydrophobicContact CE2-CD2 3.66Å; F405-W410 AromaticContact CE2-CE3 3.38Å; F405-W410 HydrophobicContact CE2-CE3 3.38Å; F405-W410 HydrophobicContact CE2-CG 4.23Å; F405-W410 HydrophobicContact CE2-CH2 4.26Å; F405-W410 AromaticContact CE2-CZ3 3.71Å; F405-W410 HydrophobicContact CE2-CZ3 3.71Å; F405-W410 HydrophobicContact CG-CE3 4.12Å; F405-W410 HydrophobicContact CZ-CB 4.45Å; F405-W410 HydrophobicContact CZ-CD2 4.12Å; F405-W410 HydrophobicContact CZ-CE3 4.23Å; F405-W410 HydrophobicContact CZ-CG 4.22Å
406	T	35.3	Very low	33.8	Very low	85 Å²	85	70.1 Å²	70.1	52%	0.521	39%	0.387	S	S	.	.	H	α-helix	trans	-53.3	-43.9	175.4	49.9	0	0	0	0	111.3	A402 E403 K408	A402-T406 PolarHBondContact O-N 3.2Å; A402-T406 PolarHBondContact O-OG1 3.49Å; E403-T406 VanDerWaalsContact CA-OG1 3.29Å; E403-T406 WeakPolarHBondContact CA-OG1 3.47Å; E403-T406 PolarHBondContact O-OG1 3.09Å; E403-T406 PolarHBondContact OE2-OG1 3.19Å; T406-K408 VanDerWaalsContact C-N 3.26Å; T406-K408 PolarHBondContact O-N 3.34Å
407	R	33.8	Very low	33.6	Very low	43 Å²	43	72.1 Å²	72.1	16%	0.162	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	7.6	-177.7	-65.5	178.6	174.1	153.3	9.3	114.6	P262 E403 F405 F409	P262-R407 PolarHBondContact O-NH1 3.17Å; E403-R407 VanDerWaalsContact CD-NH1 3.34Å; E403-R407 VanDerWaalsContact O-CB 3.25Å; E403-R407 WeakPolarHBondContact O-CB 3.34Å; E403-R407 WeakPolarHBondContact O-CD 3.39Å; E403-R407 VanDerWaalsContact O-CG 3.27Å; E403-R407 WeakPolarHBondContact O-CG 3.38Å; E403-R407 PolarHBondContact O-N 2.73Å; E403-R407 IonicContact OE1-CZ 3.92Å; E403-R407 IonicContact OE1-NE 3.56Å; E403-R407 IonicContact OE1-NH1 3.15Å; E403-R407 PolarHBondContact OE1-NH1 2.65Å; E403-R407 IonicContact OE1-NH2 3.32Å; E403-R407 PolarHBondContact OE1-NH2 2.92Å; E403-R407 IonicContact OE2-CZ 3.83Å; E403-R407 IonicContact OE2-NE 2.7Å; E403-R407 PolarHBondContact OE2-NE 3.08Å; E403-R407 VanDerWaalsContact OE2-NE 3.15Å; E403-R407 IonicContact OE2-NH1 3.49Å; E403-R407 IonicContact OE2-NH2 2.78Å; F405-R407 PolarHBondContact O-N 2.86Å; R407-F409 VanDerWaalsContact C-N 3.33Å; R407-F409 HydrophobicContact CB-CD2 4.33Å; R407-F409 PolarHBondContact O-N 3.15Å
408	K	36.9	Very low	33.4	Very low	179 Å²	179	76.4 Å²	76.4	78%	0.778	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	34.6	170.5	-53.7	176.6	-175.1	173.7	0	114.4	L404 F405 T406 W410	L404-K408 PolarHBondContact O-N 3Å; F405-K408 PolarHBondContact O-N 3.3Å; F405-K408 VanDerWaalsContact O-N 3.08Å; T406-K408 VanDerWaalsContact C-N 3.26Å; T406-K408 PolarHBondContact O-N 3.34Å; K408-W410 VanDerWaalsContact C-N 3.25Å
409	F	30	Very low	33	Very low	32 Å²	32	80.9 Å²	80.9	14%	0.14	44%	0.441	C	S	.	.			trans	-70.7	-25.5	167.7	-87.6	-83	0	0	0	112.2	L360 V361 F364 L404 R407	L360-F409 HydrophobicContact CD2-CE1 4.38Å; L360-F409 HydrophobicContact CD2-CZ 3.91Å; L360-F409 HydrophobicContact CG-CE1 4.05Å; L360-F409 HydrophobicContact CG-CZ 4.07Å; V361-F409 HydrophobicContact CG2-CD1 4.47Å; V361-F409 HydrophobicContact CG2-CE1 4.36Å; F364-F409 HydrophobicContact CB-CD1 4.49Å; F364-F409 HydrophobicContact CD1-CB 4.41Å; F364-F409 HydrophobicContact CD1-CD1 4.18Å; F364-F409 HydrophobicContact CE1-CB 4.41Å; F364-F409 HydrophobicContact CG-CD1 4.36Å; L404-F409 HydrophobicContact CD2-CB 4.27Å; L404-F409 HydrophobicContact CD2-CD2 4.09Å; L404-F409 HydrophobicContact CD2-CG 4.23Å; L404-F409 PolarHBondContact O-N 2.87Å; L404-F409 VanDerWaalsContact O-N 3.09Å; R407-F409 VanDerWaalsContact C-N 3.33Å; R407-F409 HydrophobicContact CB-CD2 4.33Å; R407-F409 PolarHBondContact O-N 3.15Å
410	W	30	Very low	32.6	Very low	19 Å²	19	81.1 Å²	81.1	7%	0.072	44%	0.444	C	S	.	.	S	Bend	trans	-80.7	121.1	167.6	-101.7	-70.2	0	0	0	111.7	W365 V377 A380 L404 F405 K408	W365-W410 AromaticContact CH2-NE1 3.75Å; V377-W410 HydrophobicContact CG1-CZ2 4.32Å; A380-W410 HydrophobicContact CB-CZ2 4.09Å; L404-W410 HydrophobicContact CB-CE3 4.38Å; L404-W410 HydrophobicContact CB-CZ3 4.2Å; F405-W410 HydrophobicContact CD2-CD2 4.04Å; F405-W410 AromaticContact CD2-CE3 3.31Å; F405-W410 HydrophobicContact CD2-CE3 3.31Å; F405-W410 AromaticContact CD2-CZ3 3.61Å; F405-W410 HydrophobicContact CD2-CZ3 3.61Å; F405-W410 HydrophobicContact CE1-CB 4.46Å; F405-W410 AromaticContact CE2-CD2 3.66Å; F405-W410 HydrophobicContact CE2-CD2 3.66Å; F405-W410 AromaticContact CE2-CE3 3.38Å; F405-W410 HydrophobicContact CE2-CE3 3.38Å; F405-W410 HydrophobicContact CE2-CG 4.23Å; F405-W410 HydrophobicContact CE2-CH2 4.26Å; F405-W410 AromaticContact CE2-CZ3 3.71Å; F405-W410 HydrophobicContact CE2-CZ3 3.71Å; F405-W410 HydrophobicContact CG-CE3 4.12Å; F405-W410 HydrophobicContact CZ-CB 4.45Å; F405-W410 HydrophobicContact CZ-CD2 4.12Å; F405-W410 HydrophobicContact CZ-CE3 4.23Å; F405-W410 HydrophobicContact CZ-CG 4.22Å; K408-W410 VanDerWaalsContact C-N 3.25Å
411	P	27.9	Very low	32	Very low	60 Å²	60	84.5 Å²	84.5	39%	0.39	47%	0.469	S	S	.	.			trans	-70.6	132	166.3	30.3	-32.4	0	0	0	109.4	A413	P411-A413 PolarHBondContact O-N 3.02Å
412	K	31	Very low	31.1	Very low	215 Å²	215	91.4 Å²	91.4	94%	0.935	51%	0.506	S	S	*	.	S	Bend	trans	-68.8	-10.2	-179.5	-88.3	-161.8	170.1	-162.7	0	114.7
413	A	27.1	Very low	30.2	Very low	77 Å²	77	95 Å²	95	64%	0.636	53%	0.529	S	S	*	.	S	Bend	trans	-149.3	148.8	176.6	0	0	0	0	0	110	P411	P411-A413 PolarHBondContact O-N 3.02Å
414	L	25	Very low	29.4	Very low	122 Å²	122	95.9 Å²	95.9	64%	0.639	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-79.3	139.1	173.3	-71.6	167.5	0	0	0	110.3
415	P	25.5	Very low	28.7	Very low	113 Å²	113	103.5 Å²	103.5	73%	0.734	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-76.7	143.3	177	-12.9	29.6	0	0	0	112.8
416	S	32.2	Very low	28.1	Very low	107 Å²	107	102.8 Å²	102.8	75%	0.748	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-101.9	129.5	176.3	53.9	0	0	0	0	111.7
417	S	30.3	Very low	27.5	Very low	90 Å²	90	104.1 Å²	104.1	63%	0.629	61%	0.605	S	S	*	*			trans	-166.8	91.8	178.5	61.8	0	0	0	0	117.8	E718	S417-E718 WeakPolarHBondContact CA-OE1 3.42Å; S417-E718 PolarHBondContact N-OE1 2.79Å
418	K	30.6	Very low	26.9	Very low	103 Å²	103	107.4 Å²	107.4	45%	0.448	63%	0.625	S	S	.	*			trans	71.7	115.6	149.3	-56.9	-176.1	172.1	-167.9	0	120.9	E718 G721	K418-E718 WeakPolarHBondContact CA-OE2 3.41Å; K418-E718 PolarHBondContact N-OE1 2.73Å; K418-E718 PolarHBondContact N-OE2 2.93Å; K418-G721 WeakPolarHBondContact CE-O 3.49Å; K418-G721 PolarHBondContact NZ-O 2.98Å
419	L	30.7	Very low	26.1	Very low	129 Å²	129	105.7 Å²	105.7	68%	0.675	62%	0.624	S	S	*	*			trans	-159.2	140.6	148.8	-130.9	129	0	0	0	112.4	E718 P719 D720	L419-E718 PolarHBondContact N-OE2 3.44Å; L419-E718 CarbonylContact O-C 2.95Å; L419-E718 VanDerWaalsContact O-C 3.25Å; L419-P719 WeakPolarHBondContact O-CA 3.36Å; L419-P719 WeakPolarHBondContact O-CB 3.3Å; L419-D720 WeakPolarHBondContact CA-OD1 3.41Å; L419-D720 PolarHBondContact N-OD1 2.98Å
420	P	29	Very low	25.6	Very low	83 Å²	83	110.7 Å²	110.7	54%	0.539	65%	0.653	S	S	.	*			trans	-76.7	173.2	-140.8	-18.2	31.8	0	0	0	120.3
421	S	24.5	Very low	25.2	Very low	95 Å²	95	117.3 Å²	117.3	66%	0.664	68%	0.682	S	S	*	*			trans	-62.6	144.3	-162.2	58.9	0	0	0	0	118.4	P719	S421-P719 VanDerWaalsContact N-CB 3.32Å
422	D	21.2	Very low	24.9	Very low	150 Å²	150	119.1 Å²	119.1	80%	0.802	70%	0.702	S	S	*	*			trans	-140.2	171.8	131.5	-144.5	-32.2	0	0	0	111.4
423	S	21.1	Very low	24.4	Very low	110 Å²	110	114.7 Å²	114.7	77%	0.769	69%	0.693	S	S	*	*	S	Bend	trans	-95.9	140.9	-154.6	51.9	0	0	0	0	114.1
424	G	21.7	Very low	24.1	Very low	73 Å²	73	119.9 Å²	119.9	75%	0.753	70%	0.701	S	S	*	*			trans	166.4	-21.5	173.7	0	0	0	0	0	117.1	V426	G424-V426 PolarHBondContact O-N 3.5Å
425	I	22.7	Very low	24.1	Very low	169 Å²	169	120.3 Å²	120.3	87%	0.867	70%	0.704	S	S	*	*			trans	-79.9	103.2	-179.7	-56.9	177.4	0	0	0	110.2
426	V	23.7	Very low	23.9	Very low	104 Å²	104	120.5 Å²	120.5	63%	0.63	71%	0.708	S	S	*	*			trans	-122.4	130.8	167.3	176.2	0	0	0	0	109.9	G424 L696	G424-V426 PolarHBondContact O-N 3.5Å; V426-L696 HydrophobicContact CB-CD1 4.37Å; V426-L696 HydrophobicContact CG1-CD1 4.37Å
427	V	22.3	Very low	23.3	Very low	114 Å²	114	121.9 Å²	121.9	69%	0.691	71%	0.712	S	S	*	*			trans	-76.4	130.8	-176.6	176.5	0	0	0	0	111	N429	V427-N429 HydrophobicContact CG1-CB 4.09Å
428	L	21.8	Very low	22.9	Very low	111 Å²	111	123.4 Å²	123.4	58%	0.581	72%	0.718	S	S	*	*			trans	-123.8	119.3	164.3	-80.8	175.5	0	0	0	109.5	L696	L428-L696 HydrophobicContact CD1-CB 4.32Å; L428-L696 HydrophobicContact CD1-CD2 3.72Å; L428-L696 HydrophobicContact CG-CD2 4.42Å
429	N	19.9	Very low	22.4	Very low	144 Å²	144	124.3 Å²	124.3	77%	0.77	73%	0.732	S	S	*	*			trans	-134.2	29.8	-164.3	-158.7	16.8	0	0	0	113.1	V427	V427-N429 HydrophobicContact CG1-CB 4.09Å
430	N	19.8	Very low	22	Very low	137 Å²	137	126.3 Å²	126.3	73%	0.733	74%	0.737	S	S	*	*			trans	-126.6	8.6	-158.3	-97.6	-0.2	0	0	0	117.2
431	F	20.9	Very low	21.9	Very low	158 Å²	158	130 Å²	130	69%	0.693	75%	0.752	S	S	*	*			trans	-109.7	42.7	-177.4	-84.5	-88.1	0	0	0	114.7	D698	F431-D698 HydrophobicContact CE2-CB 4.37Å; F431-D698 WeakPolarHBondContact CE2-OD1 3.16Å; F431-D698 HydrophobicContact CZ-CB 4.18Å; F431-D698 WeakPolarHBondContact CZ-OD1 3.48Å; F431-D698 WeakPolarHBondContact CZ-OD2 3.17Å
432	A	21.3	Very low	21.9	Very low	98 Å²	98	130.9 Å²	130.9	81%	0.81	76%	0.759	S	S	*	*			trans	-112	33	-179.8	0	0	0	0	0	113.7
433	T	22	Very low	22.3	Very low	122 Å²	122	127.3 Å²	127.3	75%	0.748	75%	0.75	S	S	*	*			trans	-138.8	97.5	176.5	53.9	0	0	0	0	112.4
434	K	20.5	Very low	22.5	Very low	185 Å²	185	127 Å²	127	80%	0.804	75%	0.748	S	S	*	*			trans	-178.1	115.6	131	-98.5	174.7	178.3	-178.7	0	113.2
435	D	24.2	Very low	22.9	Very low	131 Å²	131	129.6 Å²	129.6	70%	0.701	74%	0.742	S	S	*	*				62.9	98.4	127.9	-48.5	-9.8	0	0	0	120.6
436	S	21.7	Very low	23.2	Very low	117 Å²	117	123.4 Å²	123.4	82%	0.818	71%	0.713	S	S	*	*			trans	17	131.1	130.3	57.1	0	0	0	0	120.8
437	V	20.3	Very low	23.6	Very low	136 Å²	136	125.4 Å²	125.4	82%	0.824	73%	0.726	S	S	*	*			trans	-126.1	140.6	160.9	178.8	0	0	0	0	109.5
438	T	20.7	Very low	24.1	Very low	122 Å²	122	128.8 Å²	128.8	75%	0.748	73%	0.731	S	S	*	*			trans	-91.4	138.6	177.3	33.2	0	0	0	0	112.6
439	V	21.4	Very low	25	Very low	123 Å²	123	125 Å²	125	75%	0.745	71%	0.714	S	S	*	*			trans	-75.9	142.1	176.3	-178.7	0	0	0	0	110.8
440	H	20.9	Very low	26.1	Very low	170 Å²	170	122.6 Å²	122.6	79%	0.787	70%	0.701	S	S	*	*			trans	-128.3	124.8	172.5	-104.2	-69.5	0	0	0	110.2	S442	H440-S442 PolarHBondContact O-N 3.35Å
441	D	26.6	Very low	27.7	Very low	160 Å²	160	119.2 Å²	119.2	86%	0.856	68%	0.683	S	S	*	*			trans	-79.4	110.7	177.6	-71.4	-48.5	0	0	0	112
442	S	25.3	Very low	29.4	Very low	115 Å²	115	113.3 Å²	113.3	80%	0.804	66%	0.659	S	S	*	*			trans	-160	46	169.3	53.3	0	0	0	0	114.4	H440	H440-S442 PolarHBondContact O-N 3.35Å
443	A	29.5	Very low	31.3	Very low	75 Å²	75	112.8 Å²	112.8	62%	0.62	64%	0.64	S	S	*	*			trans	-88.7	114.7	172.8	0	0	0	0	0	112.1
444	S	26.6	Very low	33.3	Very low	104 Å²	104	107.2 Å²	107.2	73%	0.727	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-85.9	141.1	173.5	55.8	0	0	0	0	111.9
445	M	28.3	Very low	35.4	Very low	127 Å²	127	100.8 Å²	100.8	63%	0.626	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-49.5	146.5	-177.7	-76.9	-74.4	-172.4	0	0	115.1
446	P	29.5	Very low	37.3	Very low	39 Å²	39	94.8 Å²	94.8	25%	0.253	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-77	161.6	176.7	37.3	-41.6	0	0	0	112.4	E634	P446-E634 HydrophobicContact CB-CG 3.64Å; P446-E634 WeakPolarHBondContact CD-OE1 3.42Å; P446-E634 HydrophobicContact CG-CG 3.54Å
447	T	31.9	Very low	39.2	Very low	146 Å²	146	94.1 Å²	94.1	90%	0.896	53%	0.533	S	S	*	.	S	Bend	trans	-99.4	13.4	-179.5	45.1	0	0	0	0	114.8
448	K	32.3	Very low	41	Very low	184 Å²	184	90.1 Å²	90.1	80%	0.8	51%	0.507	S	S	*	.			trans	-140.3	25.1	-170.5	-77	-163.9	173.5	-170.8	0	116.8
449	S	41.6	Very low	42.6	Very low	32 Å²	32	85.7 Å²	85.7	22%	0.224	48%	0.48	C	S	.	.			trans	-66.7	137.2	167.3	36.6	0	0	0	0	111.1	L451 P589	S449-L451 VanDerWaalsContact C-N 3.3Å; S449-L451 WeakPolarHBondContact O-CD1 3.36Å; S449-L451 WeakPolarHBondContact O-CG 3.15Å; S449-L451 PolarHBondContact O-N 3.49Å; S449-L451 WeakPolarHBondContact OG-CD1 3.27Å; S449-P589 WeakPolarHBondContact CB-O 3.2Å
450	N	43.2	Very low	44.2	Very low	94 Å²	94	87.6 Å²	87.6	50%	0.503	48%	0.481	S	S	.	.			trans	-78.1	84.2	175.6	-94.8	-24.3	0	0	0	110	E638	N450-E638 PolarHBondContact ND2-O 3.47Å
451	L	52.7	Low	45.9	Very low	66 Å²	66	82.7 Å²	82.7	35%	0.346	46%	0.46	S	S	.	.			trans	-82.8	121.8	-171.5	-67.7	147.4	0	0	0	110.6	S449 K587 R588 P589	S449-L451 VanDerWaalsContact C-N 3.3Å; S449-L451 WeakPolarHBondContact O-CD1 3.36Å; S449-L451 WeakPolarHBondContact O-CG 3.15Å; S449-L451 PolarHBondContact O-N 3.49Å; S449-L451 WeakPolarHBondContact OG-CD1 3.27Å; L451-K587 HydrophobicContact CB-CG 4.3Å; L451-K587 HydrophobicContact CD2-CD 4.33Å; L451-K587 HydrophobicContact CD2-CG 3.71Å; L451-R588 WeakPolarHBondContact CA-O 3.41Å; L451-P589 HydrophobicContact CD2-CB 4.42Å
452	T	56.1	Low	47.3	Very low	33 Å²	33	82.7 Å²	82.7	20%	0.202	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	131.5	169.1	-61.9	0	0	0	0	110.4	K587 R588 L591	T452-K587 WeakPolarHBondContact O-CA 3.42Å; T452-R588 PolarHBondContact N-O 3.38Å; T452-R588 PolarHBondContact O-N 3.45Å; T452-L591 HydrophobicContact CG2-CD1 3.99Å; T452-L591 VanDerWaalsContact OG1-CB 3.31Å; T452-L591 WeakPolarHBondContact OG1-CB 3.42Å; T452-L591 WeakPolarHBondContact OG1-CD1 3.43Å
453	E	61.5	Low	49.3	Very low	88 Å²	88	79.8 Å²	79.8	41%	0.411	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	110.8	176.4	-60.5	-170.9	150.4	0	0	109.3	L585 I586 K587	E453-L585 HydrophobicContact CB-CD2 3.91Å; E453-I586 WeakPolarHBondContact CA-O 3.29Å; E453-K587 HydrophobicContact CG-CD 4.48Å; E453-K587 HydrophobicContact CG-CG 4.44Å
454	H	64.1	Low	50.9	Low	5 Å²	5	82.3 Å²	82.3	2%	0.023	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	133.9	168.8	-60.3	-100.8	0	0	0	108.7	P502 L504 L585 I586	H454-P502 PolarHBondContact ND1-O 3.27Å; H454-L504 HydrophobicContact CB-CD2 4.03Å; H454-L585 WeakPolarHBondContact O-CA 3.25Å; H454-I586 HydrophobicContact CB-CB 4.25Å; H454-I586 PolarHBondContact N-O 3Å; H454-I586 PolarHBondContact O-N 3.42Å
455	V	65	Low	52.8	Low	50 Å²	50	82.5 Å²	82.5	30%	0.303	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	140.4	180	174.8	0	0	0	0	109.1	E457 H501 V584 L585	V455-E457 PolarHBondContact O-N 3.37Å; V455-H501 PolarHBondContact N-O 2.84Å; V455-H501 PolarHBondContact O-N 3.39Å; V455-V584 WeakPolarHBondContact CA-O 3.45Å; V455-L585 HydrophobicContact CG2-CD2 3.66Å
456	L	65	Low	54.8	Low	4 Å²	4	77.8 Å²	77.8	2%	0.021	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	115.8	163.9	-175	76.5	0	0	0	109.9	I458 L469 L487 T498 F499 W500 V584	L456-I458 PolarHBondContact O-N 3.32Å; L456-L469 HydrophobicContact CD2-CD1 3.52Å; L456-L469 HydrophobicContact CD2-CD2 3.73Å; L456-L469 HydrophobicContact CD2-CG 4.15Å; L456-L487 HydrophobicContact CD2-CD2 4.05Å; L456-T498 VanDerWaalsContact CD1-CB 3.42Å; L456-T498 HydrophobicContact CD1-CG2 3.59Å; L456-T498 HydrophobicContact CD2-CG2 4.24Å; L456-F499 WeakPolarHBondContact CD1-O 3.45Å; L456-W500 HydrophobicContact CB-CE3 4.37Å; L456-W500 HydrophobicContact CB-CZ3 3.98Å; L456-W500 HydrophobicContact CD1-CD2 4.46Å; L456-W500 HydrophobicContact CD1-CE3 4.35Å; L456-W500 HydrophobicContact CD1-CH2 4.18Å; L456-W500 HydrophobicContact CD1-CZ2 4.31Å; L456-W500 HydrophobicContact CD1-CZ3 4.21Å; L456-V584 PolarHBondContact N-O 3.01Å
457	E	61.3	Low	56.7	Low	103 Å²	103	77.2 Å²	77.2	48%	0.481	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	112.2	171.3	-172.9	156.4	-137.8	0	0	107.9	V455 P459 F499 H501	V455-E457 PolarHBondContact O-N 3.37Å; E457-P459 VanDerWaalsContact O-CD 3.26Å; E457-P459 WeakPolarHBondContact O-CD 3.42Å; E457-P459 VanDerWaalsContact O-N 3.12Å; E457-F499 PolarHBondContact N-O 3.37Å; E457-H501 HydrophobicContact CB-CB 3.85Å; E457-H501 IonicContact OE1-ND1 3.43Å; E457-H501 IonicContact OE2-CE1 3.97Å; E457-H501 IonicContact OE2-CG 3.91Å; E457-H501 IonicContact OE2-ND1 2.79Å; E457-H501 PolarHBondContact OE2-ND1 2.86Å
458	I	58.8	Low	58.6	Low	52 Å²	52	72.3 Å²	72.3	27%	0.267	36%	0.359	S	S	.	.			trans	-63.9	114.9	172.5	-58.1	175.3	0	0	0	105.9	L456 A582	L456-I458 PolarHBondContact O-N 3.32Å; I458-A582 HydrophobicContact CD1-CB 4.17Å
459	P	52.8	Low	60.6	Low	29 Å²	29	64 Å²	64	19%	0.188	32%	0.323	C	S	.	.			trans	-64	165.8	-174.2	28	-36.1	0	0	0	110.7	E457 I461 L487	E457-P459 VanDerWaalsContact O-CD 3.26Å; E457-P459 WeakPolarHBondContact O-CD 3.42Å; E457-P459 VanDerWaalsContact O-N 3.12Å; P459-I461 HydrophobicContact CB-CD1 4.31Å; P459-I461 HydrophobicContact CB-CG1 4.08Å; P459-I461 HydrophobicContact CG-CD1 3.65Å; P459-I461 HydrophobicContact CG-CG1 3.83Å; P459-I461 PolarHBondContact O-N 3.15Å; P459-L487 VanDerWaalsContact CD-CD1 3.49Å; P459-L487 HydrophobicContact CG-CD1 3.96Å
460	E	56.1	Low	62.1	Low	164 Å²	164	63.4 Å²	63.4	77%	0.766	32%	0.316	S	S	*	.	S	Bend	trans	-71	24.6	-177.8	-54.6	-148.2	106.4	0	0	114.7	E462 R464	E460-E462 PolarHBondContact O-N 3.48Å; E460-R464 IonicContact OE1-NH2 2.91Å; E460-R464 PolarHBondContact OE1-NH2 2.77Å
461	I	56.6	Low	63.8	Low	67 Å²	67	59.7 Å²	59.7	34%	0.344	30%	0.295	S	S	.	.			trans	-72.2	93.8	175	-49	174.7	0	0	0	108.4	P459 W467 A496	P459-I461 HydrophobicContact CB-CD1 4.31Å; P459-I461 HydrophobicContact CB-CG1 4.08Å; P459-I461 HydrophobicContact CG-CD1 3.65Å; P459-I461 HydrophobicContact CG-CG1 3.83Å; P459-I461 PolarHBondContact O-N 3.15Å; I461-W467 HydrophobicContact CB-CZ2 4.49Å; I461-W467 HydrophobicContact CG2-CZ2 3.58Å; I461-W467 PolarHBondContact O-NE1 2.83Å; I461-A496 HydrophobicContact CD1-CB 4.2Å
462	E	56.4	Low	64.9	Low	159 Å²	159	56.9 Å²	56.9	74%	0.743	28%	0.281	S	S	*	.	S	Bend	trans	-65.3	148.2	165.3	-69.3	-155.5	150	0	0	111	E460	E460-E462 PolarHBondContact O-N 3.48Å
463	P	65.6	Low	65.9	Low	55 Å²	55	61.1 Å²	61.1	36%	0.357	30%	0.299	S	S	.	.			cis	-88.1	127.4	-3.1	36	-36.7	0	0	0	112.1	D465 Q466	P463-D465 WeakPolarHBondContact CB-OD1 3.4Å; P463-D465 PolarHBondContact O-N 2.63Å; P463-D465 VanDerWaalsContact O-N 3.1Å; P463-Q466 HydrophobicContact CG-CB 4.5Å; P463-Q466 HydrophobicContact CG-CG 4.36Å; P463-Q466 PolarHBondContact O-N 3.38Å
464	R	63.7	Low	66.6	Low	128 Å²	128	58.5 Å²	58.5	48%	0.483	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.2	-168.8	-61.7	-178.1	-173.9	-168.7	-1.9	114.7	E460 Q466	E460-R464 IonicContact OE1-NH2 2.91Å; E460-R464 PolarHBondContact OE1-NH2 2.77Å; R464-Q466 VanDerWaalsContact C-N 3.31Å; R464-Q466 PolarHBondContact O-N 3.08Å
465	D	65.7	Low	66.9	Low	107 Å²	107	61.7 Å²	61.7	57%	0.572	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-15.2	179.8	69.9	-50.4	0	0	0	114	P463 K491	P463-D465 WeakPolarHBondContact CB-OD1 3.4Å; P463-D465 PolarHBondContact O-N 2.63Å; P463-D465 VanDerWaalsContact O-N 3.1Å; D465-K491 IonicContact OD2-NZ 3.92Å
466	Q	70.4	Confident	67	Low	29 Å²	29	64.7 Å²	64.7	14%	0.136	33%	0.33	C	S	.	.	S	Bend	trans	-102.3	-15	-170	-74.9	154.7	56.6	0	0	114.4	P463 R464 N489 K490 K491	P463-Q466 HydrophobicContact CG-CB 4.5Å; P463-Q466 HydrophobicContact CG-CG 4.36Å; P463-Q466 PolarHBondContact O-N 3.38Å; R464-Q466 VanDerWaalsContact C-N 3.31Å; R464-Q466 PolarHBondContact O-N 3.08Å; Q466-N489 WeakPolarHBondContact O-CA 3.4Å; Q466-K490 PolarHBondContact O-N 3.13Å; Q466-K491 VanDerWaalsContact CD-NZ 3.25Å; Q466-K491 HydrophobicContact CG-CD 3.94Å; Q466-K491 HydrophobicContact CG-CG 4Å; Q466-K491 VanDerWaalsContact OE1-CD 3.32Å
467	W	70.5	Confident	67.1	Low	27 Å²	27	67.8 Å²	67.8	10%	0.102	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	122.5	179.9	-65.4	97.8	0	0	0	110.9	I461 L487 Y488 N489 D494 A496	I461-W467 HydrophobicContact CB-CZ2 4.49Å; I461-W467 HydrophobicContact CG2-CZ2 3.58Å; I461-W467 PolarHBondContact O-NE1 2.83Å; W467-L487 HydrophobicContact CE3-CB 3.97Å; W467-L487 HydrophobicContact CZ3-CB 4.5Å; W467-Y488 WeakPolarHBondContact CA-O 3.37Å; W467-N489 HydrophobicContact CD2-CB 4.03Å; W467-N489 HydrophobicContact CE3-CB 3.85Å; W467-N489 HydrophobicContact CH2-CB 3.77Å; W467-N489 HydrophobicContact CZ2-CB 3.91Å; W467-N489 HydrophobicContact CZ3-CB 3.73Å; W467-D494 HydrophobicContact CH2-CB 3.93Å; W467-D494 HydrophobicContact CZ3-CB 4.48Å; W467-A496 HydrophobicContact CE3-CB 4.46Å; W467-A496 HydrophobicContact CH2-CB 4.06Å; W467-A496 HydrophobicContact CZ3-CB 3.74Å
468	V	71.3	Confident	67.3	Low	43 Å²	43	65.8 Å²	65.8	26%	0.261	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	147.2	172.7	-63.6	0	0	0	0	110.6	Y488 K490	V468-Y488 HydrophobicContact CG2-CD1 4.11Å; V468-Y488 PolarHBondContact N-O 2.74Å; V468-Y488 PolarHBondContact O-N 3.17Å; V468-K490 HydrophobicContact CG1-CD 4.22Å; V468-K490 HydrophobicContact CG1-CG 4.37Å; V468-K490 HydrophobicContact CG2-CD 4.43Å; V468-K490 HydrophobicContact CG2-CG 3.95Å
469	L	73.9	Confident	67.6	Low	10 Å²	10	70 Å²	70	5%	0.052	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	132.6	177.8	-173.2	60.3	0	0	0	109.9	L456 L485 A486 L487 T498 P518 A582 V584	L456-L469 HydrophobicContact CD2-CD1 3.52Å; L456-L469 HydrophobicContact CD2-CD2 3.73Å; L456-L469 HydrophobicContact CD2-CG 4.15Å; L469-L485 HydrophobicContact CD1-CB 4.29Å; L469-L485 HydrophobicContact CD1-CD2 3.94Å; L469-L485 HydrophobicContact CD2-CD2 4.14Å; L469-L485 HydrophobicContact CG-CD2 3.87Å; L469-A486 WeakPolarHBondContact CD1-O 3.49Å; L469-L487 HydrophobicContact CB-CD2 4.44Å; L469-L487 HydrophobicContact CD1-CD2 4.25Å; L469-T498 HydrophobicContact CD1-CG2 3.91Å; L469-P518 HydrophobicContact CB-CG 4.33Å; L469-P518 HydrophobicContact CG-CG 4.05Å; L469-P518 VanDerWaalsContact O-CG 3.26Å; L469-P518 WeakPolarHBondContact O-CG 3.3Å; L469-A582 HydrophobicContact CB-CB 4.35Å; L469-V584 HydrophobicContact CD2-CB 3.98Å; L469-V584 HydrophobicContact CD2-CG2 3.27Å
470	F	73.9	Confident	68.5	Low	19 Å²	19	69.4 Å²	69.4	8%	0.083	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	173.7	-179.5	83.1	-67.1	0	0	0	111.5	A472 A486 Y488 I495 P572	F470-A472 HydrophobicContact CE2-CB 4.06Å; F470-A472 HydrophobicContact CZ-CB 3.89Å; F470-A486 HydrophobicContact CD1-CB 4.15Å; F470-A486 WeakPolarHBondContact CD1-O 3.42Å; F470-A486 HydrophobicContact CE1-CB 3.52Å; F470-A486 HydrophobicContact CZ-CB 4.03Å; F470-A486 PolarHBondContact N-O 3.11Å; F470-A486 PolarHBondContact O-N 2.71Å; F470-Y488 VanDerWaalsContact CD1-CB 3.43Å; F470-I495 HydrophobicContact CE1-CG1 4.33Å; F470-I495 HydrophobicContact CE1-CG2 4.14Å; F470-I495 HydrophobicContact CZ-CD1 3.97Å; F470-I495 HydrophobicContact CZ-CG1 3.97Å; F470-I495 HydrophobicContact CZ-CG2 4.11Å; F470-P572 HydrophobicContact CD2-CB 3.82Å; F470-P572 HydrophobicContact CD2-CG 4.47Å; F470-P572 HydrophobicContact CE2-CB 4.4Å; F470-P572 HydrophobicContact CG-CB 4.41Å
471	W	77.6	Confident	69.4	Low	16 Å²	16	68.1 Å²	68.1	6%	0.061	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	108.6	171.1	-65.8	103.2	0	0	0	110.1	R484 L485 L514 A517 P518 L520 P546	W471-R484 CarbonylContact C-O 3.4Å; W471-R484 WeakPolarHBondContact CA-O 3.4Å; W471-L485 HydrophobicContact CD2-CD2 4.16Å; W471-L485 HydrophobicContact CD2-CG 4.43Å; W471-L485 HydrophobicContact CE3-CD2 4.25Å; W471-L485 HydrophobicContact CE3-CG 4.01Å; W471-L485 HydrophobicContact CH2-CD1 3.99Å; W471-L485 HydrophobicContact CH2-CD2 4.07Å; W471-L485 HydrophobicContact CH2-CG 3.67Å; W471-L485 HydrophobicContact CZ2-CD1 4.49Å; W471-L485 HydrophobicContact CZ2-CD2 3.98Å; W471-L485 HydrophobicContact CZ2-CG 4.12Å; W471-L485 HydrophobicContact CZ3-CB 4.5Å; W471-L485 HydrophobicContact CZ3-CD1 4.32Å; W471-L485 HydrophobicContact CZ3-CD2 4.2Å; W471-L485 HydrophobicContact CZ3-CG 3.61Å; W471-L514 HydrophobicContact CH2-CD1 3.78Å; W471-L514 HydrophobicContact CZ2-CD1 3.87Å; W471-A517 HydrophobicContact CZ2-CB 4.26Å; W471-P518 PolarHBondContact NE1-O 2.84Å; W471-L520 HydrophobicContact CB-CD1 4.21Å; W471-L520 HydrophobicContact CD2-CD1 4.03Å; W471-L520 HydrophobicContact CG-CB 4.5Å; W471-L520 HydrophobicContact CG-CD1 3.81Å; W471-L520 HydrophobicContact CG-CG 4.39Å; W471-P546 HydrophobicContact CD2-CG 4.46Å; W471-P546 HydrophobicContact CE3-CB 4.31Å; W471-P546 HydrophobicContact CE3-CG 3.83Å; W471-P546 HydrophobicContact CH2-CB 3.75Å; W471-P546 HydrophobicContact CH2-CG 4.15Å; W471-P546 HydrophobicContact CZ2-CB 4.21Å; W471-P546 HydrophobicContact CZ3-CB 3.8Å; W471-P546 HydrophobicContact CZ3-CG 3.66Å
472	A	76.2	Confident	70.3	Confident	6 Å²	6	66.4 Å²	66.4	5%	0.05	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	139.7	172.6	0	0	0	0	0	111	F470 S483 R484 A486	F470-A472 HydrophobicContact CE2-CB 4.06Å; F470-A472 HydrophobicContact CZ-CB 3.89Å; A472-S483 VanDerWaalsContact O-CA 3.23Å; A472-S483 WeakPolarHBondContact O-CA 3.47Å; A472-S483 WeakPolarHBondContact O-CB 3.44Å; A472-S483 PolarHBondContact O-OG 3.1Å; A472-R484 HydrophobicContact CB-CG 4.03Å; A472-R484 PolarHBondContact N-O 2.96Å; A472-R484 PolarHBondContact O-N 3.49Å; A472-A486 HydrophobicContact CB-CB 3.78Å
473	Q	77.7	Confident	71.2	Confident	123 Å²	123	58.8 Å²	58.8	58%	0.575	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-64.5	156.7	170.2	65.7	-179.4	-5.5	0	0	111.5	N475	Q473-N475 PolarHBondContact O-N 2.89Å
474	P	75.7	Confident	72	Confident	32 Å²	32	56.7 Å²	56.7	21%	0.208	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-51.1	137.8	168.8	-27	35.2	0	0	0	112.4	R480 I567	P474-R480 CarbonylContact C-O 3.57Å; P474-R480 WeakPolarHBondContact CA-O 3.36Å; P474-I567 HydrophobicContact CG-CG2 3.7Å
475	N	71.3	Confident	72.6	Confident	72 Å²	72	50.6 Å²	50.6	39%	0.385	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-128.1	104.1	177.1	-174.1	-11.8	0	0	0	110.2	Q473 G477 T478 Q479 R480	Q473-N475 PolarHBondContact O-N 2.89Å; N475-G477 VanDerWaalsContact C-N 3.26Å; N475-G477 PolarHBondContact O-N 2.79Å; N475-G477 WeakPolarHBondContact OD1-CA 3.48Å; N475-G477 PolarHBondContact OD1-N 3.09Å; N475-T478 PolarHBondContact O-N 2.77Å; N475-T478 PolarHBondContact O-OG1 3.29Å; N475-Q479 PolarHBondContact O-N 2.92Å; N475-R480 PolarHBondContact N-O 3.35Å; N475-R480 PolarHBondContact O-N 2.74Å; N475-R480 VanDerWaalsContact O-N 3.08Å
476	S	66.8	Low	73.2	Confident	114 Å²	114	45.5 Å²	45.5	80%	0.797	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-62.4	-30.9	177.3	51.6	0	0	0	0	113.1	T478 Q479	S476-T478 VanDerWaalsContact C-N 3.3Å; S476-T478 PolarHBondContact O-N 3.41Å; S476-Q479 PolarHBondContact O-N 3.35Å; S476-Q479 VanDerWaalsContact O-N 3.15Å
477	G	66.5	Low	73.5	Confident	69 Å²	69	44.2 Å²	44.2	71%	0.711	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-66.4	-28.8	177.3	0	0	0	0	0	113.6	N475	N475-G477 VanDerWaalsContact C-N 3.26Å; N475-G477 PolarHBondContact O-N 2.79Å; N475-G477 WeakPolarHBondContact OD1-CA 3.48Å; N475-G477 PolarHBondContact OD1-N 3.09Å
478	T	65.3	Low	73.6	Confident	60 Å²	60	46 Å²	46	37%	0.368	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-102.3	17.3	173.4	68.3	0	0	0	0	112.6	N475 S476 R480	N475-T478 PolarHBondContact O-N 2.77Å; N475-T478 PolarHBondContact O-OG1 3.29Å; S476-T478 VanDerWaalsContact C-N 3.3Å; S476-T478 PolarHBondContact O-N 3.41Å; T478-R480 PolarHBondContact O-N 3.44Å
479	Q	66.2	Low	73.9	Confident	142 Å²	142	44.3 Å²	44.3	66%	0.664	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	7	-176.8	-59.1	-178.5	-20.5	0	0	116.5	N475 S476 Q481 S537	N475-Q479 PolarHBondContact O-N 2.92Å; S476-Q479 PolarHBondContact O-N 3.35Å; S476-Q479 VanDerWaalsContact O-N 3.15Å; Q479-Q481 PolarHBondContact O-N 2.85Å; Q479-S537 PolarHBondContact OE1-OG 2.96Å
480	R	71.6	Confident	73.9	Confident	15 Å²	15	48 Å²	48	6%	0.057	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-91.5	95.5	-176.2	-70.1	171.3	-174.6	-161.1	10.7	109.6	P474 N475 T478 Y482 R484 E497 S536 D543	P474-R480 CarbonylContact C-O 3.57Å; P474-R480 WeakPolarHBondContact CA-O 3.36Å; N475-R480 PolarHBondContact N-O 3.35Å; N475-R480 PolarHBondContact O-N 2.74Å; N475-R480 VanDerWaalsContact O-N 3.08Å; T478-R480 PolarHBondContact O-N 3.44Å; R480-Y482 VanDerWaalsContact C-N 3.27Å; R480-Y482 HydrophobicContact CB-CE2 4.15Å; R480-Y482 HydrophobicContact CG-CE2 4.31Å; R480-Y482 PolarHBondContact O-N 3.13Å; R480-R484 VanDerWaalsContact NH1-CZ 3.33Å; R480-E497 IonicContact CZ-OE2 2.71Å; R480-E497 IonicContact NH1-OE1 3.33Å; R480-E497 IonicContact NH1-OE2 2.71Å; R480-E497 PolarHBondContact NH1-OE2 3.4Å; R480-E497 IonicContact NH2-OE2 2.81Å; R480-S536 PolarHBondContact NH2-OG 3.31Å; R480-D543 WeakPolarHBondContact CD-OD2 3.19Å; R480-D543 IonicContact CZ-OD1 3.16Å; R480-D543 IonicContact CZ-OD2 3.84Å; R480-D543 VanDerWaalsContact CZ-OD2 3.25Å; R480-D543 IonicContact NE-OD2 3.7Å; R480-D543 PolarHBondContact NE-OD2 3.3Å; R480-D543 VanDerWaalsContact NE-OD2 3.1Å; R480-D543 VanDerWaalsContact NH1-CG 3.34Å; R480-D543 IonicContact NH1-OD1 3.56Å; R480-D543 PolarHBondContact NH1-OD1 3.43Å; R480-D543 IonicContact NH1-OD2 3.71Å; R480-D543 PolarHBondContact NH1-OD2 3.43Å; R480-D543 VanDerWaalsContact NH1-OD2 3.16Å
481	Q	73.8	Confident	73.8	Confident	137 Å²	137	54.3 Å²	54.3	64%	0.64	29%	0.287	S	S	*	.			trans	-82	5	-172.5	-59.6	-170.9	14.1	0	0	115	Q479 T562	Q479-Q481 PolarHBondContact O-N 2.85Å; Q481-T562 HydrophobicContact CB-CG2 4.13Å
482	Y	76.9	Confident	73.7	Confident	31 Å²	31	56.6 Å²	56.6	12%	0.122	31%	0.305	C	S	.	.	S	Bend	trans	-125.2	162.2	-174.7	39.8	-108.6	0	0	0	110.9	R480 V534 D543 V545 F556 T562	R480-Y482 VanDerWaalsContact C-N 3.27Å; R480-Y482 HydrophobicContact CB-CE2 4.15Å; R480-Y482 HydrophobicContact CG-CE2 4.31Å; R480-Y482 PolarHBondContact O-N 3.13Å; Y482-V534 HydrophobicContact CE1-CG2 4.34Å; Y482-V534 HydrophobicContact CE2-CG2 4.3Å; Y482-D543 HydrophobicContact CE2-CB 3.92Å; Y482-D543 WeakPolarHBondContact CE2-OD2 3.44Å; Y482-D543 PolarHBondContact OH-OD2 3.38Å; Y482-V545 HydrophobicContact CD1-CG2 4.31Å; Y482-V545 HydrophobicContact CD2-CG2 3.55Å; Y482-V545 HydrophobicContact CE2-CG2 3.89Å; Y482-V545 HydrophobicContact CG-CG1 4.23Å; Y482-V545 HydrophobicContact CG-CG2 3.79Å; Y482-F556 HydrophobicContact CD1-CZ 4.47Å; Y482-T562 HydrophobicContact CD1-CG2 4.45Å
483	S	74.9	Confident	73.5	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.32	C	S	.	.			trans	-70.2	144.4	167.1	-74.8	0	0	0	0	111.1	A472 P546 S568	A472-S483 VanDerWaalsContact O-CA 3.23Å; A472-S483 WeakPolarHBondContact O-CA 3.47Å; A472-S483 WeakPolarHBondContact O-CB 3.44Å; A472-S483 PolarHBondContact O-OG 3.1Å; S483-P546 VanDerWaalsContact O-CD 3.24Å; S483-P546 WeakPolarHBondContact O-CD 3.47Å; S483-S568 PolarHBondContact OG-N 3.33Å
484	R	81.1	Confident	73.5	Confident	10 Å²	10	56.4 Å²	56.4	4%	0.038	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	158.2	177.8	68.6	169.8	179.6	-80.1	18.4	112.2	W471 A472 R480 E497 D543 V544	W471-R484 CarbonylContact C-O 3.4Å; W471-R484 WeakPolarHBondContact CA-O 3.4Å; A472-R484 HydrophobicContact CB-CG 4.03Å; A472-R484 PolarHBondContact N-O 2.96Å; A472-R484 PolarHBondContact O-N 3.49Å; R480-R484 VanDerWaalsContact NH1-CZ 3.33Å; R484-E497 IonicContact CZ-OE1 3.93Å; R484-E497 IonicContact CZ-OE2 2.62Å; R484-E497 IonicContact NE-OE1 3.6Å; R484-E497 IonicContact NE-OE2 3.33Å; R484-E497 PolarHBondContact NE-OE2 3.15Å; R484-E497 VanDerWaalsContact NE-OE2 3.15Å; R484-E497 IonicContact NH2-OE1 3.91Å; R484-E497 PolarHBondContact NH2-OE1 3.08Å; R484-E497 IonicContact NH2-OE2 3.51Å; R484-D543 HydrophobicContact CB-CB 4.44Å; R484-D543 WeakPolarHBondContact CD-OD1 3.28Å; R484-D543 IonicContact NE-OD1 3.6Å; R484-V544 WeakPolarHBondContact CA-O 3.2Å
485	L	77.7	Confident	73.4	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	135.7	164.2	-77.7	163.6	0	0	0	110	L469 W471 T498 W500 P518 V544 V584	L469-L485 HydrophobicContact CD1-CB 4.29Å; L469-L485 HydrophobicContact CD1-CD2 3.94Å; L469-L485 HydrophobicContact CD2-CD2 4.14Å; L469-L485 HydrophobicContact CG-CD2 3.87Å; W471-L485 HydrophobicContact CD2-CD2 4.16Å; W471-L485 HydrophobicContact CD2-CG 4.43Å; W471-L485 HydrophobicContact CE3-CD2 4.25Å; W471-L485 HydrophobicContact CE3-CG 4.01Å; W471-L485 HydrophobicContact CH2-CD1 3.99Å; W471-L485 HydrophobicContact CH2-CD2 4.07Å; W471-L485 HydrophobicContact CH2-CG 3.67Å; W471-L485 HydrophobicContact CZ2-CD1 4.49Å; W471-L485 HydrophobicContact CZ2-CD2 3.98Å; W471-L485 HydrophobicContact CZ2-CG 4.12Å; W471-L485 HydrophobicContact CZ3-CB 4.5Å; W471-L485 HydrophobicContact CZ3-CD1 4.32Å; W471-L485 HydrophobicContact CZ3-CD2 4.2Å; W471-L485 HydrophobicContact CZ3-CG 3.61Å; L485-T498 HydrophobicContact CB-CG2 4.29Å; L485-T498 PolarHBondContact O-OG1 2.97Å; L485-W500 HydrophobicContact CD1-CH2 3.91Å; L485-W500 HydrophobicContact CD1-CZ2 4.36Å; L485-P518 HydrophobicContact CD2-CG 4.23Å; L485-V544 HydrophobicContact CD1-CB 4.25Å; L485-V544 HydrophobicContact CD1-CG1 4.15Å; L485-V544 PolarHBondContact N-O 3.29Å; L485-V584 HydrophobicContact CD1-CG1 4.26Å
486	A	77.2	Confident	73.5	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	158.8	177.8	0	0	0	0	0	110.4	L469 F470 A472 I495	L469-A486 WeakPolarHBondContact CD1-O 3.49Å; F470-A486 HydrophobicContact CD1-CB 4.15Å; F470-A486 WeakPolarHBondContact CD1-O 3.42Å; F470-A486 HydrophobicContact CE1-CB 3.52Å; F470-A486 HydrophobicContact CZ-CB 4.03Å; F470-A486 PolarHBondContact N-O 3.11Å; F470-A486 PolarHBondContact O-N 2.71Å; A472-A486 HydrophobicContact CB-CB 3.78Å; A486-I495 HydrophobicContact CB-CG2 4.09Å
487	L	76.6	Confident	73.8	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	135.8	173.9	-70.6	167	0	0	0	109.9	L456 P459 W467 L469 I495 A496 T498	L456-L487 HydrophobicContact CD2-CD2 4.05Å; P459-L487 VanDerWaalsContact CD-CD1 3.49Å; P459-L487 HydrophobicContact CG-CD1 3.96Å; W467-L487 HydrophobicContact CE3-CB 3.97Å; W467-L487 HydrophobicContact CZ3-CB 4.5Å; L469-L487 HydrophobicContact CB-CD2 4.44Å; L469-L487 HydrophobicContact CD1-CD2 4.25Å; L487-I495 CarbonylContact O-C 3.58Å; L487-I495 VanDerWaalsContact O-CA 3.3Å; L487-I495 WeakPolarHBondContact O-CA 3.43Å; L487-A496 HydrophobicContact CB-CB 4.24Å; L487-A496 PolarHBondContact N-O 3.04Å; L487-A496 PolarHBondContact O-N 3.19Å; L487-T498 HydrophobicContact CG-CG2 4.36Å
488	Y	73.8	Confident	74	Confident	64 Å²	64	51 Å²	51	25%	0.251	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.4	178.6	173.5	-108.1	0	0	0	111.1	W467 V468 F470 K490 G493 D494 I495	W467-Y488 WeakPolarHBondContact CA-O 3.37Å; V468-Y488 HydrophobicContact CG2-CD1 4.11Å; V468-Y488 PolarHBondContact N-O 2.74Å; V468-Y488 PolarHBondContact O-N 3.17Å; F470-Y488 VanDerWaalsContact CD1-CB 3.43Å; Y488-K490 HydrophobicContact CD1-CG 4.32Å; Y488-K490 HydrophobicContact CE1-CG 4.29Å; Y488-G493 WeakPolarHBondContact CE2-O 3.28Å; Y488-D494 WeakPolarHBondContact CA-O 3.39Å; Y488-I495 HydrophobicContact CD2-CG1 4.15Å
489	N	77.5	Confident	74.1	Confident	9 Å²	9	53.9 Å²	53.9	5%	0.048	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	113.3	174.8	-172.3	-49.7	0	0	0	110.7	Q466 W467 K491 S492 G493 D494	Q466-N489 WeakPolarHBondContact O-CA 3.4Å; W467-N489 HydrophobicContact CD2-CB 4.03Å; W467-N489 HydrophobicContact CE3-CB 3.85Å; W467-N489 HydrophobicContact CH2-CB 3.77Å; W467-N489 HydrophobicContact CZ2-CB 3.91Å; W467-N489 HydrophobicContact CZ3-CB 3.73Å; N489-K491 PolarHBondContact O-N 3.25Å; N489-K491 VanDerWaalsContact O-N 3.12Å; N489-K491 PolarHBondContact OD1-N 3.4Å; N489-S492 VanDerWaalsContact CB-OG 3.32Å; N489-S492 WeakPolarHBondContact CB-OG 3.28Å; N489-S492 PolarHBondContact OD1-N 2.77Å; N489-S492 VanDerWaalsContact OD1-N 3.12Å; N489-S492 PolarHBondContact OD1-OG 2.64Å; N489-G493 WeakPolarHBondContact O-CA 3.32Å; N489-G493 PolarHBondContact O-N 2.95Å; N489-D494 HydrophobicContact CB-CB 4.27Å; N489-D494 PolarHBondContact N-O 3.08Å
490	K	72.5	Confident	74.2	Confident	86 Å²	86	48 Å²	48	37%	0.374	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.6	-178.6	-77.3	-164.9	173.3	-176	0	115.4	Q466 V468 Y488 E574	Q466-K490 PolarHBondContact O-N 3.13Å; V468-K490 HydrophobicContact CG1-CD 4.22Å; V468-K490 HydrophobicContact CG1-CG 4.37Å; V468-K490 HydrophobicContact CG2-CD 4.43Å; V468-K490 HydrophobicContact CG2-CG 3.95Å; Y488-K490 HydrophobicContact CD1-CG 4.32Å; Y488-K490 HydrophobicContact CE1-CG 4.29Å; K490-E574 IonicContact NZ-OE1 3.68Å; K490-E574 PolarHBondContact NZ-OE1 3.33Å
491	K	72.2	Confident	73.5	Confident	152 Å²	152	52.2 Å²	52.2	66%	0.661	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-39	-179	-68.5	-167.5	-161.5	152.5	0	114	D465 Q466 N489	D465-K491 IonicContact OD2-NZ 3.92Å; Q466-K491 VanDerWaalsContact CD-NZ 3.25Å; Q466-K491 HydrophobicContact CG-CD 3.94Å; Q466-K491 HydrophobicContact CG-CG 4Å; Q466-K491 VanDerWaalsContact OE1-CD 3.32Å; N489-K491 PolarHBondContact O-N 3.25Å; N489-K491 VanDerWaalsContact O-N 3.12Å; N489-K491 PolarHBondContact OD1-N 3.4Å
492	S	76.3	Confident	73.1	Confident	65 Å²	65	48.9 Å²	48.9	46%	0.455	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-24.3	179.2	58.2	0	0	0	0	113.7	N489 D494	N489-S492 VanDerWaalsContact CB-OG 3.32Å; N489-S492 WeakPolarHBondContact CB-OG 3.28Å; N489-S492 PolarHBondContact OD1-N 2.77Å; N489-S492 VanDerWaalsContact OD1-N 3.12Å; N489-S492 PolarHBondContact OD1-OG 2.64Å; S492-D494 VanDerWaalsContact C-N 3.3Å; S492-D494 WeakPolarHBondContact CB-OD2 3.33Å; S492-D494 PolarHBondContact OG-N 3.19Å; S492-D494 PolarHBondContact OG-OD2 3.19Å
493	G	72.7	Confident	72.5	Confident	35 Å²	35	52.2 Å²	52.2	36%	0.361	28%	0.277	S	S	.	.			trans	83.6	3.4	-171.1	0	0	0	0	0	114.1	Y488 N489	Y488-G493 WeakPolarHBondContact CE2-O 3.28Å; N489-G493 WeakPolarHBondContact O-CA 3.32Å; N489-G493 PolarHBondContact O-N 2.95Å
494	D	76.8	Confident	72	Confident	90 Å²	90	52.5 Å²	52.5	48%	0.481	28%	0.278	S	S	.	.			trans	-66.3	150.1	-179.8	-63.3	-47.9	0	0	0	112.3	W467 Y488 N489 S492	W467-D494 HydrophobicContact CH2-CB 3.93Å; W467-D494 HydrophobicContact CZ3-CB 4.48Å; Y488-D494 WeakPolarHBondContact CA-O 3.39Å; N489-D494 HydrophobicContact CB-CB 4.27Å; N489-D494 PolarHBondContact N-O 3.08Å; S492-D494 VanDerWaalsContact C-N 3.3Å; S492-D494 WeakPolarHBondContact CB-OD2 3.33Å; S492-D494 PolarHBondContact OG-N 3.19Å; S492-D494 PolarHBondContact OG-OD2 3.19Å
495	I	73.6	Confident	70.9	Confident	100 Å²	100	53.5 Å²	53.5	51%	0.513	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133.3	174.6	-62.1	167.4	0	0	0	108.8	F470 A486 L487 Y488	F470-I495 HydrophobicContact CE1-CG1 4.33Å; F470-I495 HydrophobicContact CE1-CG2 4.14Å; F470-I495 HydrophobicContact CZ-CD1 3.97Å; F470-I495 HydrophobicContact CZ-CG1 3.97Å; F470-I495 HydrophobicContact CZ-CG2 4.11Å; A486-I495 HydrophobicContact CB-CG2 4.09Å; L487-I495 CarbonylContact O-C 3.58Å; L487-I495 VanDerWaalsContact O-CA 3.3Å; L487-I495 WeakPolarHBondContact O-CA 3.43Å; Y488-I495 HydrophobicContact CD2-CG1 4.15Å
496	A	73	Confident	69.7	Low	18 Å²	18	58.5 Å²	58.5	15%	0.149	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	151.5	176.8	0	0	0	0	0	111.5	I461 W467 L487	I461-A496 HydrophobicContact CD1-CB 4.2Å; W467-A496 HydrophobicContact CE3-CB 4.46Å; W467-A496 HydrophobicContact CH2-CB 4.06Å; W467-A496 HydrophobicContact CZ3-CB 3.74Å; L487-A496 HydrophobicContact CB-CB 4.24Å; L487-A496 PolarHBondContact N-O 3.04Å; L487-A496 PolarHBondContact O-N 3.19Å
497	E	74	Confident	68.5	Low	54 Å²	54	62.7 Å²	62.7	25%	0.252	34%	0.343	S	S	.	.			trans	-76.5	159.7	179.4	-60.6	-62.8	152	0	0	112.3	R480 R484 F499 H541	R480-E497 IonicContact CZ-OE2 2.71Å; R480-E497 IonicContact NH1-OE1 3.33Å; R480-E497 IonicContact NH1-OE2 2.71Å; R480-E497 PolarHBondContact NH1-OE2 3.4Å; R480-E497 IonicContact NH2-OE2 2.81Å; R484-E497 IonicContact CZ-OE1 3.93Å; R484-E497 IonicContact CZ-OE2 2.62Å; R484-E497 IonicContact NE-OE1 3.6Å; R484-E497 IonicContact NE-OE2 3.33Å; R484-E497 PolarHBondContact NE-OE2 3.15Å; R484-E497 VanDerWaalsContact NE-OE2 3.15Å; R484-E497 IonicContact NH2-OE1 3.91Å; R484-E497 PolarHBondContact NH2-OE1 3.08Å; R484-E497 IonicContact NH2-OE2 3.51Å; E497-F499 HydrophobicContact CB-CE2 4.39Å; E497-H541 IonicContact OE2-NE2 3.9Å
498	T	70.5	Confident	67.5	Low	1 Å²	1	64.3 Å²	64.3	1%	0.006	35%	0.353	C	S	.	.			trans	-101.3	120.7	-170.5	41.8	0	0	0	0	113.5	L456 L469 L485 L487 H541	L456-T498 VanDerWaalsContact CD1-CB 3.42Å; L456-T498 HydrophobicContact CD1-CG2 3.59Å; L456-T498 HydrophobicContact CD2-CG2 4.24Å; L469-T498 HydrophobicContact CD1-CG2 3.91Å; L485-T498 HydrophobicContact CB-CG2 4.29Å; L485-T498 PolarHBondContact O-OG1 2.97Å; L487-T498 HydrophobicContact CG-CG2 4.36Å; T498-H541 PolarHBondContact O-CE1 3.45Å; T498-H541 PolarHBondContact O-NE2 2.86Å
499	F	67.7	Low	66.8	Low	120 Å²	120	64.7 Å²	64.7	53%	0.526	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	136.6	179.1	-63.8	-88.4	0	0	0	111.9	L456 E457 E497 H541	L456-F499 WeakPolarHBondContact CD1-O 3.45Å; E457-F499 PolarHBondContact N-O 3.37Å; E497-F499 HydrophobicContact CB-CE2 4.39Å; F499-H541 AromaticContact CE1-CE1 3.94Å; F499-H541 AromaticContact CE1-ND1 3.79Å
500	W	67.8	Low	66.1	Low	20 Å²	20	65.5 Å²	65.5	8%	0.076	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	137.6	-167.6	-59.8	99.3	0	0	0	111.8	L456 L485 P502 S503 L504 V544 V584 I586	L456-W500 HydrophobicContact CB-CE3 4.37Å; L456-W500 HydrophobicContact CB-CZ3 3.98Å; L456-W500 HydrophobicContact CD1-CD2 4.46Å; L456-W500 HydrophobicContact CD1-CE3 4.35Å; L456-W500 HydrophobicContact CD1-CH2 4.18Å; L456-W500 HydrophobicContact CD1-CZ2 4.31Å; L456-W500 HydrophobicContact CD1-CZ3 4.21Å; L485-W500 HydrophobicContact CD1-CH2 3.91Å; L485-W500 HydrophobicContact CD1-CZ2 4.36Å; W500-P502 CarbonylContact C-O 3.55Å; W500-P502 CarbonylContact O-C 3.53Å; W500-S503 VanDerWaalsContact O-CA 3.3Å; W500-S503 WeakPolarHBondContact O-CA 3.35Å; W500-S503 PolarHBondContact O-N 2.91Å; W500-L504 HydrophobicContact CB-CD1 4.32Å; W500-L504 HydrophobicContact CB-CG 3.86Å; W500-L504 HydrophobicContact CD2-CD1 3.98Å; W500-L504 HydrophobicContact CD2-CG 4.34Å; W500-L504 HydrophobicContact CG-CD1 3.62Å; W500-L504 HydrophobicContact CG-CD2 4.5Å; W500-L504 HydrophobicContact CG-CG 3.72Å; W500-V544 HydrophobicContact CH2-CG2 4.24Å; W500-V544 HydrophobicContact CZ2-CB 4.34Å; W500-V544 HydrophobicContact CZ2-CG2 3.52Å; W500-V584 HydrophobicContact CH2-CG1 4.45Å; W500-V584 HydrophobicContact CZ3-CG1 4.41Å; W500-I586 HydrophobicContact CD2-CD1 4.47Å; W500-I586 HydrophobicContact CE3-CD1 4.01Å; W500-I586 HydrophobicContact CE3-CG1 4.46Å; W500-I586 HydrophobicContact CH2-CD1 3.35Å; W500-I586 HydrophobicContact CH2-CG1 4.05Å; W500-I586 HydrophobicContact CZ2-CD1 3.85Å; W500-I586 HydrophobicContact CZ3-CD1 3.42Å; W500-I586 VanDerWaalsContact CZ3-CD1 3.42Å; W500-I586 HydrophobicContact CZ3-CG1 3.76Å
501	H	57.6	Low	65.7	Low	103 Å²	103	63 Å²	63	48%	0.477	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123	177.3	-162.4	115	0	0	0	111.7	V455 E457	V455-H501 PolarHBondContact N-O 2.84Å; V455-H501 PolarHBondContact O-N 3.39Å; E457-H501 HydrophobicContact CB-CB 3.85Å; E457-H501 IonicContact OE1-ND1 3.43Å; E457-H501 IonicContact OE2-CE1 3.97Å; E457-H501 IonicContact OE2-CG 3.91Å; E457-H501 IonicContact OE2-ND1 2.79Å; E457-H501 PolarHBondContact OE2-ND1 2.86Å
502	P	63.9	Low	65.8	Low	67 Å²	67	55.8 Å²	55.8	44%	0.435	33%	0.325	S	S	.	.	S	Bend	cis	-59.8	155.9	-14.1	28.6	-35.5	0	0	0	110.7	H454 W500	H454-P502 PolarHBondContact ND1-O 3.27Å; W500-P502 CarbonylContact C-O 3.55Å; W500-P502 CarbonylContact O-C 3.53Å
503	S	64.9	Low	65.8	Low	100 Å²	100	54.7 Å²	54.7	70%	0.699	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-50.5	140.8	179.5	-51.6	0	0	0	0	111.9	W500	W500-S503 VanDerWaalsContact O-CA 3.3Å; W500-S503 WeakPolarHBondContact O-CA 3.35Å; W500-S503 PolarHBondContact O-N 2.91Å
504	L	64.7	Low	65.7	Low	6 Å²	6	53.4 Å²	53.4	3%	0.031	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-63.2	137.5	174.8	-65.2	172.6	0	0	0	109.7	H454 W500 V533 F542 V544	H454-L504 HydrophobicContact CB-CD2 4.03Å; W500-L504 HydrophobicContact CB-CD1 4.32Å; W500-L504 HydrophobicContact CB-CG 3.86Å; W500-L504 HydrophobicContact CD2-CD1 3.98Å; W500-L504 HydrophobicContact CD2-CG 4.34Å; W500-L504 HydrophobicContact CG-CD1 3.62Å; W500-L504 HydrophobicContact CG-CD2 4.5Å; W500-L504 HydrophobicContact CG-CG 3.72Å; L504-V533 HydrophobicContact CD1-CG1 3.8Å; L504-V533 HydrophobicContact CD1-CG2 4.43Å; L504-F542 HydrophobicContact CB-CB 4.5Å; L504-F542 HydrophobicContact CB-CD2 4.03Å; L504-F542 HydrophobicContact CB-CG 4.4Å; L504-F542 HydrophobicContact CD1-CB 3.97Å; L504-V544 HydrophobicContact CD1-CG2 4.39Å
505	P	58	Low	65.4	Low	31 Å²	31	53.9 Å²	53.9	20%	0.201	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-61.4	146.1	-179.5	24.7	-36.4	0	0	0	112.3	T507 Y510	P505-T507 PolarHBondContact O-N 3.38Å; P505-Y510 WeakPolarHBondContact CD-OH 3.24Å; P505-Y510 HydrophobicContact CG-CE1 4.01Å
506	T	51.7	Low	65.1	Low	105 Å²	105	54.8 Å²	54.8	64%	0.644	30%	0.298	S	S	*	.	S	Bend	trans	-73.2	7.8	-174.6	56.4	0	0	0	0	115.2	F542	T506-F542 HydrophobicContact CG2-CZ 4.4Å
507	T	53.1	Low	64.8	Low	89 Å²	89	55.1 Å²	55.1	55%	0.546	30%	0.3	S	S	.	.	S	Bend	trans	-110.3	91.7	179.5	32.5	0	0	0	0	109.9	P505 Y510	P505-T507 PolarHBondContact O-N 3.38Å; T507-Y510 WeakPolarHBondContact O-CD1 3.29Å; T507-Y510 WeakPolarHBondContact O-CE1 3.35Å
508	V	55.6	Low	64.4	Low	36 Å²	36	53.4 Å²	53.4	22%	0.218	29%	0.294	C	S	.	.			trans	-120.1	159.4	-179.1	-74.4	0	0	0	0	110.4	Y510 V533 E535 F542	V508-Y510 HydrophobicContact CG1-CD1 3.99Å; V508-Y510 HydrophobicContact CG1-CE1 3.55Å; V508-V533 HydrophobicContact CG1-CB 4.31Å; V508-V533 HydrophobicContact CG1-CG1 3.75Å; V508-E535 HydrophobicContact CG2-CB 3.76Å; V508-F542 HydrophobicContact CG1-CD1 3.93Å; V508-F542 HydrophobicContact CG1-CE1 4.05Å; V508-F542 HydrophobicContact CG2-CD1 4.12Å; V508-F542 HydrophobicContact CG2-CE1 3.76Å
509	P	59.3	Low	64.1	Low	72 Å²	72	60.2 Å²	60.2	47%	0.468	33%	0.326	S	S	.	.			cis	-85.8	156.9	1.8	34.8	-36.5	0	0	0	115.1	V532 V533 V534 L557	P509-V532 HydrophobicContact CB-CG1 4Å; P509-V533 WeakPolarHBondContact CA-O 3.3Å; P509-V533 WeakPolarHBondContact CB-O 3.3Å; P509-V534 HydrophobicContact CB-CG1 4.31Å; P509-L557 HydrophobicContact CB-CD1 4.19Å; P509-L557 HydrophobicContact CB-CG 4.43Å; P509-L557 HydrophobicContact CG-CD1 4.21Å; P509-L557 HydrophobicContact CG-CG 4.06Å
510	Y	62.2	Low	63.9	Low	26 Å²	26	55.1 Å²	55.1	10%	0.102	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	157.6	172	57.5	-95.2	0	0	0	113.2	P505 T507 V508 V512 V532 V533 R588	P505-Y510 WeakPolarHBondContact CD-OH 3.24Å; P505-Y510 HydrophobicContact CG-CE1 4.01Å; T507-Y510 WeakPolarHBondContact O-CD1 3.29Å; T507-Y510 WeakPolarHBondContact O-CE1 3.35Å; V508-Y510 HydrophobicContact CG1-CD1 3.99Å; V508-Y510 HydrophobicContact CG1-CE1 3.55Å; Y510-V512 HydrophobicContact CD2-CG1 3.73Å; Y510-V512 HydrophobicContact CE2-CG1 3.59Å; Y510-V532 WeakPolarHBondContact O-CA 3.27Å; Y510-V533 HydrophobicContact CD2-CB 4.36Å; Y510-V533 HydrophobicContact CD2-CG2 4.15Å; Y510-V533 HydrophobicContact CE1-CB 4.22Å; Y510-V533 HydrophobicContact CE1-CG1 4.38Å; Y510-V533 HydrophobicContact CE2-CB 3.92Å; Y510-V533 HydrophobicContact CE2-CG2 3.52Å; Y510-V533 PolarHBondContact N-O 3.41Å; Y510-V533 PolarHBondContact O-N 2.8Å; Y510-R588 HydrophobicContact CE2-CG 4.43Å
511	I	64.9	Low	63.3	Low	34 Å²	34	57.9 Å²	57.9	17%	0.174	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	142.8	-178.8	-54.7	173.1	0	0	0	110.9	W530 A531 V532 A553 Y554 L557	I511-W530 HydrophobicContact CG2-CE3 4.03Å; I511-W530 HydrophobicContact CG2-CZ3 4.49Å; I511-A531 WeakPolarHBondContact CA-O 3.46Å; I511-V532 HydrophobicContact CG1-CG2 4.33Å; I511-A553 HydrophobicContact CD1-CB 4.15Å; I511-A553 HydrophobicContact CG1-CB 4.05Å; I511-A553 HydrophobicContact CG2-CB 3.83Å; I511-Y554 HydrophobicContact CD1-CD2 4.18Å; I511-L557 HydrophobicContact CG1-CD1 4.21Å
512	V	73	Confident	63.1	Low	0 Å²	0	56 Å²	56	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	152.8	177.4	-65	0	0	0	0	112.6	Y510 L514 A531 V533 I586	Y510-V512 HydrophobicContact CD2-CG1 3.73Å; Y510-V512 HydrophobicContact CE2-CG1 3.59Å; V512-L514 HydrophobicContact CG2-CD2 4.42Å; V512-A531 HydrophobicContact CG2-CB 3.76Å; V512-A531 PolarHBondContact N-O 3.1Å; V512-A531 PolarHBondContact O-N 3.19Å; V512-V533 HydrophobicContact CG1-CG2 3.93Å; V512-V533 HydrophobicContact CG2-CG2 4.21Å; V512-I586 HydrophobicContact CB-CG2 3.69Å; V512-I586 HydrophobicContact CG1-CG2 3.61Å; V512-I586 HydrophobicContact CG2-CG2 3.86Å
513	E	76.1	Confident	62.5	Low	42 Å²	42	63 Å²	63	20%	0.196	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	130.2	167.3	176.5	-169.4	160.9	0	0	108.8	R515 D529 W530 K587	E513-R515 IonicContact OE1-CZ 3.63Å; E513-R515 IonicContact OE1-NE 3.85Å; E513-R515 PolarHBondContact OE1-NE 2.69Å; E513-R515 IonicContact OE1-NH2 2.74Å; E513-R515 PolarHBondContact OE1-NH2 3.11Å; E513-D529 CarbonylContact C-O 3.51Å; E513-D529 WeakPolarHBondContact CA-O 3.21Å; E513-W530 HydrophobicContact CB-CE3 4.49Å; E513-W530 HydrophobicContact CB-CH2 4.41Å; E513-W530 HydrophobicContact CB-CZ3 4.14Å; E513-K587 HydrophobicContact CB-CB 4.16Å; E513-K587 VanDerWaalsContact CD-NZ 3.33Å; E513-K587 PolarHBondContact N-O 3.3Å; E513-K587 VanDerWaalsContact N-O 3.15Å; E513-K587 PolarHBondContact O-N 3.03Å; E513-K587 IonicContact OE1-NZ 3.17Å; E513-K587 PolarHBondContact OE1-NZ 3.46Å; E513-K587 IonicContact OE2-NZ 3.11Å; E513-K587 PolarHBondContact OE2-NZ 3.23Å
514	L	71.7	Confident	61.8	Low	7 Å²	7	62.1 Å²	62.1	4%	0.037	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	134.5	177.1	-65.5	-177.3	0	0	0	110.8	W471 V512 A517 D529 A531 V544 I586	W471-L514 HydrophobicContact CH2-CD1 3.78Å; W471-L514 HydrophobicContact CZ2-CD1 3.87Å; V512-L514 HydrophobicContact CG2-CD2 4.42Å; L514-A517 HydrophobicContact CB-CB 4.13Å; L514-A517 HydrophobicContact CD1-CB 4.15Å; L514-D529 PolarHBondContact N-O 2.87Å; L514-A531 HydrophobicContact CD1-CB 3.83Å; L514-A531 HydrophobicContact CD2-CB 3.89Å; L514-A531 HydrophobicContact CG-CB 3.84Å; L514-V544 HydrophobicContact CD2-CG1 4.21Å; L514-I586 HydrophobicContact CD2-CD1 4.38Å; L514-I586 HydrophobicContact CD2-CG1 4.01Å
515	R	69.6	Low	61.1	Low	101 Å²	101	67.8 Å²	67.8	38%	0.381	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	139.1	171.4	-69.9	176.6	176.3	-154.8	-9.4	110.7	E513 A517 V584 L585	E513-R515 IonicContact OE1-CZ 3.63Å; E513-R515 IonicContact OE1-NE 3.85Å; E513-R515 PolarHBondContact OE1-NE 2.69Å; E513-R515 IonicContact OE1-NH2 2.74Å; E513-R515 PolarHBondContact OE1-NH2 3.11Å; R515-A517 PolarHBondContact O-N 3.26Å; R515-V584 WeakPolarHBondContact O-CA 3.47Å; R515-L585 HydrophobicContact CB-CB 3.93Å; R515-L585 PolarHBondContact N-O 2.78Å; R515-L585 PolarHBondContact O-N 2.91Å
516	N	67.6	Low	60.9	Low	119 Å²	119	71.8 Å²	71.8	64%	0.636	40%	0.402	S	S	*	.	S	Bend	trans	58.6	21.8	-174.1	-48.7	-34.5	0	0	0	114.6	V584	N516-V584 WeakPolarHBondContact O-CG2 3.27Å
517	A	67.5	Low	61.3	Low	24 Å²	24	67.8 Å²	67.8	20%	0.198	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-66.3	150.9	174.2	0	0	0	0	0	111.7	W471 L514 R515 Q519 V584	W471-A517 HydrophobicContact CZ2-CB 4.26Å; L514-A517 HydrophobicContact CB-CB 4.13Å; L514-A517 HydrophobicContact CD1-CB 4.15Å; R515-A517 PolarHBondContact O-N 3.26Å; A517-Q519 PolarHBondContact O-N 2.81Å; A517-V584 HydrophobicContact CB-CG2 4.27Å
518	P	64.8	Low	61.9	Low	19 Å²	19	64.2 Å²	64.2	12%	0.123	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-55.2	132.6	169.8	-20.9	32.5	0	0	0	109.6	L469 W471 L485 L520 A575	L469-P518 HydrophobicContact CB-CG 4.33Å; L469-P518 HydrophobicContact CG-CG 4.05Å; L469-P518 VanDerWaalsContact O-CG 3.26Å; L469-P518 WeakPolarHBondContact O-CG 3.3Å; W471-P518 PolarHBondContact NE1-O 2.84Å; L485-P518 HydrophobicContact CD2-CG 4.23Å; P518-L520 PolarHBondContact O-N 3.44Å; P518-L520 VanDerWaalsContact O-N 3.16Å; P518-A575 HydrophobicContact CB-CB 4.24Å
519	Q	64	Low	62.8	Low	143 Å²	143	67.2 Å²	67.2	67%	0.668	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-67.6	117.1	-179	-73.1	-171.3	-13.1	0	0	110.4	A517	A517-Q519 PolarHBondContact O-N 2.81Å
520	L	63.5	Low	63.7	Low	13 Å²	13	66.5 Å²	66.5	7%	0.068	36%	0.363	C	S	.	.			trans	-100.1	91	172.2	-160.1	173.3	0	0	0	107.4	W471 P518 L522 V528 P546 V566	W471-L520 HydrophobicContact CB-CD1 4.21Å; W471-L520 HydrophobicContact CD2-CD1 4.03Å; W471-L520 HydrophobicContact CG-CB 4.5Å; W471-L520 HydrophobicContact CG-CD1 3.81Å; W471-L520 HydrophobicContact CG-CG 4.39Å; P518-L520 PolarHBondContact O-N 3.44Å; P518-L520 VanDerWaalsContact O-N 3.16Å; L520-L522 PolarHBondContact O-N 3.3Å; L520-V528 HydrophobicContact CB-CG2 4.2Å; L520-P546 HydrophobicContact CD1-CB 4.3Å; L520-P546 HydrophobicContact CD1-CG 3.93Å; L520-V566 HydrophobicContact CD1-CB 4.46Å; L520-V566 HydrophobicContact CD1-CG1 4.29Å; L520-V566 HydrophobicContact CD2-CB 4.47Å; L520-V566 HydrophobicContact CD2-CG1 3.49Å; L520-V566 VanDerWaalsContact CD2-CG1 3.49Å
521	S	55.7	Low	64.5	Low	79 Å²	79	65.3 Å²	65.3	55%	0.552	36%	0.358	S	S	*	.			trans	-84.5	92.5	-166.9	43.4	0	0	0	0	113	F523	S521-F523 PolarHBondContact O-N 2.7Å
522	L	53.8	Low	65	Low	64 Å²	64	63.7 Å²	63.7	34%	0.335	35%	0.35	S	S	.	.	S	Bend	trans	-66	91.8	167.3	-78.4	173.5	0	0	0	111	L520 G524 Q525 D548 V566	L520-L522 PolarHBondContact O-N 3.3Å; L522-G524 VanDerWaalsContact C-N 3.34Å; L522-G524 PolarHBondContact O-N 3.47Å; L522-G524 VanDerWaalsContact O-N 3.12Å; L522-Q525 WeakPolarHBondContact O-CB 3.38Å; L522-Q525 WeakPolarHBondContact O-CG 3.27Å; L522-Q525 PolarHBondContact O-N 2.88Å; L522-D548 HydrophobicContact CD1-CB 4.48Å; L522-V566 HydrophobicContact CD1-CG1 3.69Å; L522-V566 HydrophobicContact CD1-CG2 4.18Å; L522-V566 HydrophobicContact CD2-CG1 3.83Å; L522-V566 HydrophobicContact CG-CG1 3.72Å
523	F	50.3	Low	65.1	Low	214 Å²	214	63.7 Å²	63.7	94%	0.939	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.3	51.1	169.1	-71.7	-81.3	0	0	0	115	S521	S521-F523 PolarHBondContact O-N 2.7Å
524	G	49.8	Very low	65.1	Low	80 Å²	80	62.6 Å²	62.6	83%	0.825	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	5.3	176	0	0	0	0	0	115.6	L522	L522-G524 VanDerWaalsContact C-N 3.34Å; L522-G524 PolarHBondContact O-N 3.47Å; L522-G524 VanDerWaalsContact O-N 3.12Å
525	Q	50.6	Low	65.1	Low	125 Å²	125	66.8 Å²	66.8	58%	0.584	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-74.2	155.5	164.9	-65.8	-169.7	-7.8	0	0	111.4	L522	L522-Q525 WeakPolarHBondContact O-CB 3.38Å; L522-Q525 WeakPolarHBondContact O-CG 3.27Å; L522-Q525 PolarHBondContact O-N 2.88Å
526	P	52.9	Low	64.7	Low	115 Å²	115	62.1 Å²	62.1	75%	0.747	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-59.4	165.9	169.1	27	-35.6	0	0	0	111.9
527	G	60.2	Low	64.2	Low	22 Å²	22	61 Å²	61	23%	0.227	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-63.5	166	-174.5	0	0	0	0	0	114.7	D529	G527-D529 PolarHBondContact O-N 3.35Å
528	V	65.8	Low	63.3	Low	14 Å²	14	67.6 Å²	67.6	9%	0.085	37%	0.371	C	S	.	.			trans	-77.2	103.4	-179.9	176.6	0	0	0	0	110.9	L520 W530 P546 C547 V566	L520-V528 HydrophobicContact CB-CG2 4.2Å; V528-W530 VanDerWaalsContact C-N 3.35Å; V528-W530 WeakPolarHBondContact CG1-O 3.11Å; V528-P546 HydrophobicContact CB-CB 4.5Å; V528-P546 HydrophobicContact CG1-CB 3.82Å; V528-C547 VanDerWaalsContact CG1-O 3.29Å; V528-C547 WeakPolarHBondContact CG1-O 3.35Å; V528-V566 HydrophobicContact CG2-CG2 4.13Å
529	D	74.5	Confident	62.6	Low	99 Å²	99	73.2 Å²	73.2	53%	0.529	40%	0.4	S	S	.	.			trans	-81.6	-6.5	178.3	-67.1	-26.5	0	0	0	113.9	E513 L514 G527	E513-D529 CarbonylContact C-O 3.51Å; E513-D529 WeakPolarHBondContact CA-O 3.21Å; L514-D529 PolarHBondContact N-O 2.87Å; G527-D529 PolarHBondContact O-N 3.35Å
530	W	78.5	Confident	62.2	Low	57 Å²	57	75 Å²	75	22%	0.216	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	143.1	-171	-62.6	91.9	0	0	0	113.3	I511 E513 V528 C547 R550	I511-W530 HydrophobicContact CG2-CE3 4.03Å; I511-W530 HydrophobicContact CG2-CZ3 4.49Å; E513-W530 HydrophobicContact CB-CE3 4.49Å; E513-W530 HydrophobicContact CB-CH2 4.41Å; E513-W530 HydrophobicContact CB-CZ3 4.14Å; V528-W530 VanDerWaalsContact C-N 3.35Å; V528-W530 WeakPolarHBondContact CG1-O 3.11Å; W530-C547 PolarHBondContact O-N 2.9Å; W530-C547 VanDerWaalsContact O-O 3.11Å; W530-R550 HydrophobicContact CD2-CB 3.87Å; W530-R550 HydrophobicContact CE3-CB 4.06Å; W530-R550 HydrophobicContact CE3-CG 4.28Å; W530-R550 HydrophobicContact CG-CB 4.35Å; W530-R550 HydrophobicContact CH2-CB 4.49Å; W530-R550 HydrophobicContact CZ2-CB 4.31Å; W530-R550 HydrophobicContact CZ3-CB 4.37Å; W530-R550 HydrophobicContact CZ3-CG 4.26Å
531	A	79.8	Confident	62.2	Low	0 Å²	0	75.4 Å²	75.4	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	169.5	178.1	0	0	0	0	0	112.5	I511 V512 L514 V544 V545	I511-A531 WeakPolarHBondContact CA-O 3.46Å; V512-A531 HydrophobicContact CG2-CB 3.76Å; V512-A531 PolarHBondContact N-O 3.1Å; V512-A531 PolarHBondContact O-N 3.19Å; L514-A531 HydrophobicContact CD1-CB 3.83Å; L514-A531 HydrophobicContact CD2-CB 3.89Å; L514-A531 HydrophobicContact CG-CB 3.84Å; A531-V544 HydrophobicContact CB-CG1 3.71Å; A531-V545 CarbonylContact C-O 3.59Å; A531-V545 WeakPolarHBondContact CA-O 3.12Å; A531-V545 WeakPolarHBondContact CB-O 2.93Å
532	V	75.4	Confident	63.1	Low	1 Å²	1	72.9 Å²	72.9	1%	0.006	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.5	167.5	-178.2	0	0	0	0	109.3	P509 Y510 I511 V534 V545 A553 F556 L557	P509-V532 HydrophobicContact CB-CG1 4Å; Y510-V532 WeakPolarHBondContact O-CA 3.27Å; I511-V532 HydrophobicContact CG1-CG2 4.33Å; V532-V534 HydrophobicContact CG1-CG1 4.03Å; V532-V545 PolarHBondContact N-O 2.92Å; V532-V545 PolarHBondContact O-N 3.46Å; V532-A553 HydrophobicContact CG2-CB 3.77Å; V532-A553 WeakPolarHBondContact CG2-O 3.41Å; V532-F556 HydrophobicContact CB-CD1 3.9Å; V532-F556 HydrophobicContact CB-CE1 4.16Å; V532-F556 HydrophobicContact CG1-CD1 4.25Å; V532-F556 HydrophobicContact CG1-CE1 4.36Å; V532-F556 HydrophobicContact CG2-CD1 3.89Å; V532-L557 HydrophobicContact CG1-CD1 4.39Å
533	V	75.1	Confident	64.2	Low	0 Å²	0	69.8 Å²	69.8	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	133.1	170.6	-175.2	0	0	0	0	109	L504 V508 P509 Y510 V512 F542 D543 V544	L504-V533 HydrophobicContact CD1-CG1 3.8Å; L504-V533 HydrophobicContact CD1-CG2 4.43Å; V508-V533 HydrophobicContact CG1-CB 4.31Å; V508-V533 HydrophobicContact CG1-CG1 3.75Å; P509-V533 WeakPolarHBondContact CA-O 3.3Å; P509-V533 WeakPolarHBondContact CB-O 3.3Å; Y510-V533 HydrophobicContact CD2-CB 4.36Å; Y510-V533 HydrophobicContact CD2-CG2 4.15Å; Y510-V533 HydrophobicContact CE1-CB 4.22Å; Y510-V533 HydrophobicContact CE1-CG1 4.38Å; Y510-V533 HydrophobicContact CE2-CB 3.92Å; Y510-V533 HydrophobicContact CE2-CG2 3.52Å; Y510-V533 PolarHBondContact N-O 3.41Å; Y510-V533 PolarHBondContact O-N 2.8Å; V512-V533 HydrophobicContact CG1-CG2 3.93Å; V512-V533 HydrophobicContact CG2-CG2 4.21Å; V533-F542 HydrophobicContact CG1-CB 4.1Å; V533-D543 WeakPolarHBondContact CA-O 3.38Å; V533-V544 HydrophobicContact CG2-CG2 4.4Å
534	V	75.8	Confident	65.7	Low	19 Å²	19	59.6 Å²	59.6	12%	0.115	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	150	179.6	-57.3	0	0	0	0	111.2	Y482 P509 V532 F542 D543 V545 F556	Y482-V534 HydrophobicContact CE1-CG2 4.34Å; Y482-V534 HydrophobicContact CE2-CG2 4.3Å; P509-V534 HydrophobicContact CB-CG1 4.31Å; V532-V534 HydrophobicContact CG1-CG1 4.03Å; V534-F542 CarbonylContact O-C 3.51Å; V534-F542 WeakPolarHBondContact O-CA 3.48Å; V534-D543 HydrophobicContact CG2-CB 3.82Å; V534-D543 PolarHBondContact N-O 3.43Å; V534-D543 PolarHBondContact O-N 3.25Å; V534-V545 HydrophobicContact CG1-CG2 4.46Å; V534-V545 HydrophobicContact CG2-CG2 3.87Å; V534-F556 HydrophobicContact CG1-CE1 4.19Å
535	E	70.9	Confident	67.2	Low	95 Å²	95	55.8 Å²	55.8	44%	0.444	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	128.1	168.6	-175.4	165.6	-151.6	0	0	109.3	V508 R540 F542	V508-E535 HydrophobicContact CG2-CB 3.76Å; E535-R540 VanDerWaalsContact OE1-CG 3.29Å; E535-R540 WeakPolarHBondContact OE1-CG 3.28Å; E535-R540 IonicContact OE1-NE 3.93Å; E535-F542 HydrophobicContact CB-CD1 4.23Å; E535-F542 HydrophobicContact CB-CE1 4.08Å; E535-F542 HydrophobicContact CG-CE1 4.3Å
536	S	63.2	Low	68.7	Low	2 Å²	2	49.9 Å²	49.9	1%	0.014	25%	0.253	C	S	.	.			trans	-87.7	149	167	78.3	0	0	0	0	109.8	R480 Y538 H541 D543	R480-S536 PolarHBondContact NH2-OG 3.31Å; S536-Y538 PolarHBondContact O-N 3.14Å; S536-H541 WeakPolarHBondContact CB-O 3.25Å; S536-H541 PolarHBondContact N-O 2.89Å; S536-H541 PolarHBondContact OG-O 2.88Å; S536-D543 WeakPolarHBondContact CB-OD2 3.42Å
537	S	56.4	Low	70	Confident	96 Å²	96	44.4 Å²	44.4	67%	0.671	22%	0.218	S	C	*	.	S	Bend	trans	-67.7	6.5	-174.1	52	0	0	0	0	115.5	Q479	Q479-S537 PolarHBondContact OE1-OG 2.96Å
538	Y	48.6	Very low	70.7	Confident	163 Å²	163	48.1 Å²	48.1	64%	0.639	23%	0.233	S	C	*	.	S	Bend	trans	-117.3	116.9	-176.2	-167.1	-79	0	0	0	110.5	S536 R540 H541	S536-Y538 PolarHBondContact O-N 3.14Å; Y538-R540 PolarHBondContact O-N 3.37Å; Y538-H541 WeakPolarHBondContact O-CB 2.93Å; Y538-H541 PolarHBondContact O-N 3.01Å
539	D	49.7	Very low	71	Confident	137 Å²	137	49.2 Å²	49.2	73%	0.733	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	43.9	35.7	174.5	-66.3	-22.3	0	0	0	116.2	H541	D539-H541 PolarHBondContact O-N 3.26Å
540	R	55.2	Low	70.6	Confident	179 Å²	179	49.7 Å²	49.7	68%	0.675	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	30.2	-176.7	-56.1	-166.3	154.6	177	-4.7	114.4	E535 Y538	E535-R540 VanDerWaalsContact OE1-CG 3.29Å; E535-R540 WeakPolarHBondContact OE1-CG 3.28Å; E535-R540 IonicContact OE1-NE 3.93Å; Y538-R540 PolarHBondContact O-N 3.37Å
541	H	64.5	Low	70	Confident	23 Å²	23	54.7 Å²	54.7	11%	0.106	26%	0.258	C	S	.	.			trans	-74.5	132.8	176.9	-168.4	88.8	0	0	0	111	E497 T498 F499 S536 Y538 D539	E497-H541 IonicContact OE2-NE2 3.9Å; T498-H541 PolarHBondContact O-CE1 3.45Å; T498-H541 PolarHBondContact O-NE2 2.86Å; F499-H541 AromaticContact CE1-CE1 3.94Å; F499-H541 AromaticContact CE1-ND1 3.79Å; S536-H541 WeakPolarHBondContact CB-O 3.25Å; S536-H541 PolarHBondContact N-O 2.89Å; S536-H541 PolarHBondContact OG-O 2.88Å; Y538-H541 WeakPolarHBondContact O-CB 2.93Å; Y538-H541 PolarHBondContact O-N 3.01Å; D539-H541 PolarHBondContact O-N 3.26Å
542	F	73.7	Confident	69.5	Low	25 Å²	25	55 Å²	55	11%	0.11	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	115.3	-176.2	-61.4	-65.6	0	0	0	112.4	L504 T506 V508 V533 V534 E535	L504-F542 HydrophobicContact CB-CB 4.5Å; L504-F542 HydrophobicContact CB-CD2 4.03Å; L504-F542 HydrophobicContact CB-CG 4.4Å; L504-F542 HydrophobicContact CD1-CB 3.97Å; T506-F542 HydrophobicContact CG2-CZ 4.4Å; V508-F542 HydrophobicContact CG1-CD1 3.93Å; V508-F542 HydrophobicContact CG1-CE1 4.05Å; V508-F542 HydrophobicContact CG2-CD1 4.12Å; V508-F542 HydrophobicContact CG2-CE1 3.76Å; V533-F542 HydrophobicContact CG1-CB 4.1Å; V534-F542 CarbonylContact O-C 3.51Å; V534-F542 WeakPolarHBondContact O-CA 3.48Å; E535-F542 HydrophobicContact CB-CD1 4.23Å; E535-F542 HydrophobicContact CB-CE1 4.08Å; E535-F542 HydrophobicContact CG-CE1 4.3Å
543	D	77.8	Confident	68.9	Low	0 Å²	0	55 Å²	55	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	150.7	173.7	-79.6	-29.3	0	0	0	111.2	R480 Y482 R484 V533 V534 S536	R480-D543 WeakPolarHBondContact CD-OD2 3.19Å; R480-D543 IonicContact CZ-OD1 3.16Å; R480-D543 IonicContact CZ-OD2 3.84Å; R480-D543 VanDerWaalsContact CZ-OD2 3.25Å; R480-D543 IonicContact NE-OD2 3.7Å; R480-D543 PolarHBondContact NE-OD2 3.3Å; R480-D543 VanDerWaalsContact NE-OD2 3.1Å; R480-D543 VanDerWaalsContact NH1-CG 3.34Å; R480-D543 IonicContact NH1-OD1 3.56Å; R480-D543 PolarHBondContact NH1-OD1 3.43Å; R480-D543 IonicContact NH1-OD2 3.71Å; R480-D543 PolarHBondContact NH1-OD2 3.43Å; R480-D543 VanDerWaalsContact NH1-OD2 3.16Å; Y482-D543 HydrophobicContact CE2-CB 3.92Å; Y482-D543 WeakPolarHBondContact CE2-OD2 3.44Å; Y482-D543 PolarHBondContact OH-OD2 3.38Å; R484-D543 HydrophobicContact CB-CB 4.44Å; R484-D543 WeakPolarHBondContact CD-OD1 3.28Å; R484-D543 IonicContact NE-OD1 3.6Å; V533-D543 WeakPolarHBondContact CA-O 3.38Å; V534-D543 HydrophobicContact CG2-CB 3.82Å; V534-D543 PolarHBondContact N-O 3.43Å; V534-D543 PolarHBondContact O-N 3.25Å; S536-D543 WeakPolarHBondContact CB-OD2 3.42Å
544	V	80.9	Confident	68	Low	0 Å²	0	61.5 Å²	61.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	115.3	177.6	-179.5	0	0	0	0	108.6	R484 L485 W500 L504 L514 A531 V533 I586	R484-V544 WeakPolarHBondContact CA-O 3.2Å; L485-V544 HydrophobicContact CD1-CB 4.25Å; L485-V544 HydrophobicContact CD1-CG1 4.15Å; L485-V544 PolarHBondContact N-O 3.29Å; W500-V544 HydrophobicContact CH2-CG2 4.24Å; W500-V544 HydrophobicContact CZ2-CB 4.34Å; W500-V544 HydrophobicContact CZ2-CG2 3.52Å; L504-V544 HydrophobicContact CD1-CG2 4.39Å; L514-V544 HydrophobicContact CD2-CG1 4.21Å; A531-V544 HydrophobicContact CB-CG1 3.71Å; V533-V544 HydrophobicContact CG2-CG2 4.4Å; V544-I586 HydrophobicContact CB-CD1 4.32Å; V544-I586 HydrophobicContact CG1-CD1 3.85Å; V544-I586 HydrophobicContact CG2-CD1 3.62Å
545	V	81.5	Confident	67.1	Low	0 Å²	0	65.8 Å²	65.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	123.7	-167.6	-178	0	0	0	0	110.3	Y482 A531 V532 V534 F556 T565	Y482-V545 HydrophobicContact CD1-CG2 4.31Å; Y482-V545 HydrophobicContact CD2-CG2 3.55Å; Y482-V545 HydrophobicContact CE2-CG2 3.89Å; Y482-V545 HydrophobicContact CG-CG1 4.23Å; Y482-V545 HydrophobicContact CG-CG2 3.79Å; A531-V545 CarbonylContact C-O 3.59Å; A531-V545 WeakPolarHBondContact CA-O 3.12Å; A531-V545 WeakPolarHBondContact CB-O 2.93Å; V532-V545 PolarHBondContact N-O 2.92Å; V532-V545 PolarHBondContact O-N 3.46Å; V534-V545 HydrophobicContact CG1-CG2 4.46Å; V534-V545 HydrophobicContact CG2-CG2 3.87Å; V545-F556 HydrophobicContact CB-CE1 3.98Å; V545-F556 HydrophobicContact CG1-CD1 4.39Å; V545-F556 HydrophobicContact CG1-CE1 3.76Å; V545-F556 HydrophobicContact CG1-CZ 4.2Å; V545-F556 HydrophobicContact CG2-CE1 4.27Å; V545-T565 HydrophobicContact CG1-CG2 3.52Å
546	P	83.3	Confident	66.6	Low	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	141.5	-175.1	30.9	-31.6	0	0	0	112	W471 S483 L520 V528 T565 V566	W471-P546 HydrophobicContact CD2-CG 4.46Å; W471-P546 HydrophobicContact CE3-CB 4.31Å; W471-P546 HydrophobicContact CE3-CG 3.83Å; W471-P546 HydrophobicContact CH2-CB 3.75Å; W471-P546 HydrophobicContact CH2-CG 4.15Å; W471-P546 HydrophobicContact CZ2-CB 4.21Å; W471-P546 HydrophobicContact CZ3-CB 3.8Å; W471-P546 HydrophobicContact CZ3-CG 3.66Å; S483-P546 VanDerWaalsContact O-CD 3.24Å; S483-P546 WeakPolarHBondContact O-CD 3.47Å; L520-P546 HydrophobicContact CD1-CB 4.3Å; L520-P546 HydrophobicContact CD1-CG 3.93Å; V528-P546 HydrophobicContact CB-CB 4.5Å; V528-P546 HydrophobicContact CG1-CB 3.82Å; P546-T565 CarbonylContact O-C 3.59Å; P546-T565 WeakPolarHBondContact O-CA 3.32Å; P546-V566 HydrophobicContact CB-CB 4.37Å; P546-V566 HydrophobicContact CG-CB 4.31Å; P546-V566 WeakPolarHBondContact CG-O 3.17Å; P546-V566 PolarHBondContact O-N 3.12Å
547	C	79	Confident	66.4	Low	0 Å²	0	64.6 Å²	64.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	139.8	177.9	-73.1	0	0	0	0	110.6	V528 W530 S549 A552 A553 D564	V528-C547 VanDerWaalsContact CG1-O 3.29Å; V528-C547 WeakPolarHBondContact CG1-O 3.35Å; W530-C547 PolarHBondContact O-N 2.9Å; W530-C547 VanDerWaalsContact O-O 3.11Å; C547-S549 PolarHBondContact O-N 3.15Å; C547-A552 HydrophobicContact CB-CB 4.17Å; C547-A553 HydrophobicContact CB-CB 3.81Å; C547-D564 PolarHBondContact SG-O 2.86Å
548	D	74.3	Confident	66.1	Low	101 Å²	101	66 Å²	66	54%	0.54	30%	0.297	S	S	.	.	S	Bend	trans	-57.6	-20.3	-172.1	71.3	22.6	0	0	0	115.1	L522 A552 V566	L522-D548 HydrophobicContact CD1-CB 4.48Å; D548-A552 WeakPolarHBondContact OD1-CB 3.32Å; D548-V566 HydrophobicContact CB-CG2 4.24Å
549	S	72.8	Confident	66.5	Low	37 Å²	37	61.2 Å²	61.2	26%	0.259	29%	0.287	S	S	.	.	S	Bend	trans	-165.9	162.9	-173.3	62.6	0	0	0	0	110.4	C547 K551 A552 A553	C547-S549 PolarHBondContact O-N 3.15Å; S549-K551 PolarHBondContact O-N 2.72Å; S549-K551 PolarHBondContact OG-N 3.13Å; S549-A552 PolarHBondContact O-N 3.12Å; S549-A552 VanDerWaalsContact O-N 3.12Å; S549-A552 PolarHBondContact OG-N 3.49Å; S549-A552 VanDerWaalsContact OG-N 3.08Å; S549-A553 PolarHBondContact O-N 2.94Å
550	R	65.7	Low	67.1	Low	109 Å²	109	57.5 Å²	57.5	41%	0.411	28%	0.28	S	S	.	.	H	α-helix	trans	-51.4	-28.8	166.9	-172.2	-179.9	175.5	-139	-8.7	112.4	W530 Y554 E612	W530-R550 HydrophobicContact CD2-CB 3.87Å; W530-R550 HydrophobicContact CE3-CB 4.06Å; W530-R550 HydrophobicContact CE3-CG 4.28Å; W530-R550 HydrophobicContact CG-CB 4.35Å; W530-R550 HydrophobicContact CH2-CB 4.49Å; W530-R550 HydrophobicContact CZ2-CB 4.31Å; W530-R550 HydrophobicContact CZ3-CB 4.37Å; W530-R550 HydrophobicContact CZ3-CG 4.26Å; R550-Y554 WeakPolarHBondContact O-CB 3.49Å; R550-Y554 PolarHBondContact O-N 2.91Å; R550-E612 IonicContact CZ-OE1 2.72Å; R550-E612 IonicContact NH1-OE1 3.15Å; R550-E612 PolarHBondContact NH1-OE1 3.43Å; R550-E612 IonicContact NH2-OE1 2.71Å; R550-E612 PolarHBondContact NH2-OE1 3.48Å
551	K	66.9	Low	67.9	Low	162 Å²	162	52.6 Å²	52.6	70%	0.704	27%	0.268	S	S	*	.	H	α-helix	trans	-76.3	-41.5	179.2	-169.7	171.3	-174.7	170.5	0	112.5	S549 Y554 K555	S549-K551 PolarHBondContact O-N 2.72Å; S549-K551 PolarHBondContact OG-N 3.13Å; K551-Y554 PolarHBondContact O-N 2.9Å; K551-K555 WeakPolarHBondContact O-CG 3.31Å; K551-K555 PolarHBondContact O-N 2.87Å
552	A	68	Low	68.2	Low	6 Å²	6	53.1 Å²	53.1	5%	0.05	27%	0.273	C	S	.	.	H	α-helix	trans	-67.9	-40	172.3	0	0	0	0	0	111.6	C547 D548 S549 Y554 K555 F556	C547-A552 HydrophobicContact CB-CB 4.17Å; D548-A552 WeakPolarHBondContact OD1-CB 3.32Å; S549-A552 PolarHBondContact O-N 3.12Å; S549-A552 VanDerWaalsContact O-N 3.12Å; S549-A552 PolarHBondContact OG-N 3.49Å; S549-A552 VanDerWaalsContact OG-N 3.08Å; A552-Y554 VanDerWaalsContact C-N 3.31Å; A552-Y554 PolarHBondContact O-N 3.27Å; A552-K555 WeakPolarHBondContact O-CB 3.28Å; A552-K555 PolarHBondContact O-N 3.14Å; A552-K555 VanDerWaalsContact O-N 3.13Å; A552-F556 PolarHBondContact O-N 3.24Å
553	A	63.8	Low	68.2	Low	0 Å²	0	56 Å²	56	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-57.2	-43.2	173.1	0	0	0	0	0	112.2	I511 V532 C547 S549 L557	I511-A553 HydrophobicContact CD1-CB 4.15Å; I511-A553 HydrophobicContact CG1-CB 4.05Å; I511-A553 HydrophobicContact CG2-CB 3.83Å; V532-A553 HydrophobicContact CG2-CB 3.77Å; V532-A553 WeakPolarHBondContact CG2-O 3.41Å; C547-A553 HydrophobicContact CB-CB 3.81Å; S549-A553 PolarHBondContact O-N 2.94Å; A553-L557 WeakPolarHBondContact O-CB 3.44Å; A553-L557 PolarHBondContact O-N 3.3Å; A553-L557 VanDerWaalsContact O-N 3.1Å
554	Y	56.3	Low	67.8	Low	138 Å²	138	57.2 Å²	57.2	54%	0.541	30%	0.302	S	S	.	.	H	α-helix	trans	-66.2	-41.3	174.4	-170.2	-88.9	0	0	0	112.9	I511 R550 K551 A552 M558	I511-Y554 HydrophobicContact CD1-CD2 4.18Å; R550-Y554 WeakPolarHBondContact O-CB 3.49Å; R550-Y554 PolarHBondContact O-N 2.91Å; K551-Y554 PolarHBondContact O-N 2.9Å; A552-Y554 VanDerWaalsContact C-N 3.31Å; A552-Y554 PolarHBondContact O-N 3.27Å; Y554-M558 HydrophobicContact CD1-CG 4.01Å; Y554-M558 HydrophobicContact CE1-CG 3.62Å; Y554-M558 HydrophobicContact CE1-SD 4.42Å; Y554-M558 VanDerWaalsContact O-CG 3.29Å; Y554-M558 WeakPolarHBondContact O-CG 3.43Å; Y554-M558 PolarHBondContact O-N 3.08Å; Y554-M558 VanDerWaalsContact O-N 3.12Å
555	K	56.2	Low	67.5	Low	108 Å²	108	57.8 Å²	57.8	47%	0.47	31%	0.306	S	S	.	.	H	α-helix	trans	-60.9	-51.3	174.6	-73.2	-177.2	-177.8	177.3	0	111.7	K551 A552 L557 M558 S559 D564	K551-K555 WeakPolarHBondContact O-CG 3.31Å; K551-K555 PolarHBondContact O-N 2.87Å; A552-K555 WeakPolarHBondContact O-CB 3.28Å; A552-K555 PolarHBondContact O-N 3.14Å; A552-K555 VanDerWaalsContact O-N 3.13Å; K555-L557 VanDerWaalsContact C-N 3.28Å; K555-L557 PolarHBondContact O-N 3.34Å; K555-M558 CarbonylContact O-C 3.54Å; K555-M558 WeakPolarHBondContact O-CA 3.41Å; K555-M558 PolarHBondContact O-N 2.97Å; K555-S559 VanDerWaalsContact O-CB 3.24Å; K555-S559 WeakPolarHBondContact O-CB 3.38Å; K555-S559 PolarHBondContact O-N 3.46Å; K555-S559 PolarHBondContact O-OG 3.41Å; K555-D564 HydrophobicContact CB-CB 4.03Å; K555-D564 WeakPolarHBondContact CD-OD1 3.33Å; K555-D564 IonicContact NZ-OD1 3.73Å; K555-D564 PolarHBondContact NZ-OD1 3.05Å
556	F	61.7	Low	67.1	Low	14 Å²	14	58.2 Å²	58.2	6%	0.061	31%	0.308	C	S	.	.	H	α-helix	trans	-56.2	-43.9	-179.6	174.8	-128.6	0	0	0	111.3	Y482 V532 V534 V545 A552 M558 S559 G560 N561 D564 T565	Y482-F556 HydrophobicContact CD1-CZ 4.47Å; V532-F556 HydrophobicContact CB-CD1 3.9Å; V532-F556 HydrophobicContact CB-CE1 4.16Å; V532-F556 HydrophobicContact CG1-CD1 4.25Å; V532-F556 HydrophobicContact CG1-CE1 4.36Å; V532-F556 HydrophobicContact CG2-CD1 3.89Å; V534-F556 HydrophobicContact CG1-CE1 4.19Å; V545-F556 HydrophobicContact CB-CE1 3.98Å; V545-F556 HydrophobicContact CG1-CD1 4.39Å; V545-F556 HydrophobicContact CG1-CE1 3.76Å; V545-F556 HydrophobicContact CG1-CZ 4.2Å; V545-F556 HydrophobicContact CG2-CE1 4.27Å; A552-F556 PolarHBondContact O-N 3.24Å; F556-M558 VanDerWaalsContact C-N 3.27Å; F556-M558 PolarHBondContact O-N 3.48Å; F556-S559 PolarHBondContact O-N 3Å; F556-G560 WeakPolarHBondContact O-CA 3.23Å; F556-G560 PolarHBondContact O-N 3.03Å; F556-N561 WeakPolarHBondContact CD2-O 3.45Å; F556-D564 HydrophobicContact CB-CB 3.88Å; F556-T565 HydrophobicContact CB-CG2 4.2Å; F556-T565 HydrophobicContact CD1-CG2 3.63Å; F556-T565 HydrophobicContact CD2-CG2 3.46Å; F556-T565 VanDerWaalsContact CD2-CG2 3.46Å; F556-T565 HydrophobicContact CE1-CG2 3.79Å; F556-T565 HydrophobicContact CE2-CG2 3.62Å; F556-T565 HydrophobicContact CG-CG2 3.48Å; F556-T565 VanDerWaalsContact CG-CG2 3.48Å; F556-T565 HydrophobicContact CZ-CG2 3.79Å
557	L	57.2	Low	66.4	Low	58 Å²	58	60.6 Å²	60.6	30%	0.304	32%	0.321	S	S	.	.	H	α-helix	trans	-62.2	-31.9	175.7	-174.8	146.9	0	0	0	113.2	P509 I511 V532 A553 K555	P509-L557 HydrophobicContact CB-CD1 4.19Å; P509-L557 HydrophobicContact CB-CG 4.43Å; P509-L557 HydrophobicContact CG-CD1 4.21Å; P509-L557 HydrophobicContact CG-CG 4.06Å; I511-L557 HydrophobicContact CG1-CD1 4.21Å; V532-L557 HydrophobicContact CG1-CD1 4.39Å; A553-L557 WeakPolarHBondContact O-CB 3.44Å; A553-L557 PolarHBondContact O-N 3.3Å; A553-L557 VanDerWaalsContact O-N 3.1Å; K555-L557 VanDerWaalsContact C-N 3.28Å; K555-L557 PolarHBondContact O-N 3.34Å
558	M	50.3	Low	65.6	Low	127 Å²	127	61 Å²	61	63%	0.626	32%	0.324	S	S	*	.	H	α-helix	trans	-89.3	-19.8	177.3	-67.8	-62.1	-54.2	0	0	114.4	Y554 K555 F556	Y554-M558 HydrophobicContact CD1-CG 4.01Å; Y554-M558 HydrophobicContact CE1-CG 3.62Å; Y554-M558 HydrophobicContact CE1-SD 4.42Å; Y554-M558 VanDerWaalsContact O-CG 3.29Å; Y554-M558 WeakPolarHBondContact O-CG 3.43Å; Y554-M558 PolarHBondContact O-N 3.08Å; Y554-M558 VanDerWaalsContact O-N 3.12Å; K555-M558 CarbonylContact O-C 3.54Å; K555-M558 WeakPolarHBondContact O-CA 3.41Å; K555-M558 PolarHBondContact O-N 2.97Å; F556-M558 VanDerWaalsContact C-N 3.27Å; F556-M558 PolarHBondContact O-N 3.48Å
559	S	56.8	Low	64.8	Low	62 Å²	62	65.6 Å²	65.6	43%	0.434	33%	0.334	S	S	.	.	H	α-helix	trans	-112.3	-23.3	-170.6	72.5	0	0	0	0	114.2	K555 F556 N561 D564	K555-S559 VanDerWaalsContact O-CB 3.24Å; K555-S559 WeakPolarHBondContact O-CB 3.38Å; K555-S559 PolarHBondContact O-N 3.46Å; K555-S559 PolarHBondContact O-OG 3.41Å; F556-S559 PolarHBondContact O-N 3Å; S559-N561 PolarHBondContact O-N 3.16Å; S559-N561 VanDerWaalsContact O-N 3.08Å; S559-N561 WeakPolarHBondContact OG-CB 3.36Å; S559-N561 PolarHBondContact OG-N 2.93Å; S559-D564 PolarHBondContact OG-OD2 3.37Å; S559-D564 VanDerWaalsContact OG-OD2 3.08Å
560	G	63.4	Low	63.7	Low	58 Å²	58	67.2 Å²	67.2	60%	0.598	35%	0.345	S	S	*	.			trans	63.2	1.4	-166.6	0	0	0	0	0	114.3	F556	F556-G560 WeakPolarHBondContact O-CA 3.23Å; F556-G560 PolarHBondContact O-N 3.03Å
561	N	71.3	Confident	63	Low	76 Å²	76	67.8 Å²	67.8	41%	0.406	36%	0.36	S	S	.	.			trans	-86.5	117.8	-167	-178.8	4.4	0	0	0	111.3	F556 S559 S563 D564	F556-N561 WeakPolarHBondContact CD2-O 3.45Å; S559-N561 PolarHBondContact O-N 3.16Å; S559-N561 VanDerWaalsContact O-N 3.08Å; S559-N561 WeakPolarHBondContact OG-CB 3.36Å; S559-N561 PolarHBondContact OG-N 2.93Å; N561-S563 VanDerWaalsContact CG-OG 3.29Å; N561-S563 PolarHBondContact ND2-OG 3.14Å; N561-S563 PolarHBondContact O-N 3.08Å; N561-S563 PolarHBondContact OD1-N 2.86Å; N561-S563 PolarHBondContact OD1-OG 2.94Å; N561-D564 PolarHBondContact O-N 3.42Å
562	T	71	Confident	62.2	Low	35 Å²	35	62.9 Å²	62.9	22%	0.215	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-61.5	-15.1	179.9	53.1	0	0	0	0	113.9	Q481 Y482 D564 T565	Q481-T562 HydrophobicContact CB-CG2 4.13Å; Y482-T562 HydrophobicContact CD1-CG2 4.45Å; T562-D564 PolarHBondContact O-N 2.72Å; T562-T565 WeakPolarHBondContact O-CB 3.43Å; T562-T565 PolarHBondContact O-N 2.76Å; T562-T565 PolarHBondContact O-OG1 2.91Å
563	S	74	Confident	61.1	Low	86 Å²	86	70.5 Å²	70.5	60%	0.601	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-68.9	-14.2	171.3	77.8	0	0	0	0	114.5	N561 T565	N561-S563 VanDerWaalsContact CG-OG 3.29Å; N561-S563 PolarHBondContact ND2-OG 3.14Å; N561-S563 PolarHBondContact O-N 3.08Å; N561-S563 PolarHBondContact OD1-N 2.86Å; N561-S563 PolarHBondContact OD1-OG 2.94Å; S563-T565 VanDerWaalsContact C-N 3.29Å
564	D	69.5	Low	60.1	Low	24 Å²	24	77.1 Å²	77.1	13%	0.128	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-90.5	9.3	170.1	-65.5	-53.5	0	0	0	111.9	C547 K555 F556 S559 N561 T562	C547-D564 PolarHBondContact SG-O 2.86Å; K555-D564 HydrophobicContact CB-CB 4.03Å; K555-D564 WeakPolarHBondContact CD-OD1 3.33Å; K555-D564 IonicContact NZ-OD1 3.73Å; K555-D564 PolarHBondContact NZ-OD1 3.05Å; F556-D564 HydrophobicContact CB-CB 3.88Å; S559-D564 PolarHBondContact OG-OD2 3.37Å; S559-D564 VanDerWaalsContact OG-OD2 3.08Å; N561-D564 PolarHBondContact O-N 3.42Å; T562-D564 PolarHBondContact O-N 2.72Å
565	T	75.6	Confident	59.5	Low	13 Å²	13	72.3 Å²	72.3	8%	0.08	40%	0.399	C	S	.	.	S	Bend	trans	-115.9	156.2	177	76.4	0	0	0	0	111.1	V545 P546 F556 T562 S563 I567	V545-T565 HydrophobicContact CG1-CG2 3.52Å; P546-T565 CarbonylContact O-C 3.59Å; P546-T565 WeakPolarHBondContact O-CA 3.32Å; F556-T565 HydrophobicContact CB-CG2 4.2Å; F556-T565 HydrophobicContact CD1-CG2 3.63Å; F556-T565 HydrophobicContact CD2-CG2 3.46Å; F556-T565 VanDerWaalsContact CD2-CG2 3.46Å; F556-T565 HydrophobicContact CE1-CG2 3.79Å; F556-T565 HydrophobicContact CE2-CG2 3.62Å; F556-T565 HydrophobicContact CG-CG2 3.48Å; F556-T565 VanDerWaalsContact CG-CG2 3.48Å; F556-T565 HydrophobicContact CZ-CG2 3.79Å; T562-T565 WeakPolarHBondContact O-CB 3.43Å; T562-T565 PolarHBondContact O-N 2.76Å; T562-T565 PolarHBondContact O-OG1 2.91Å; S563-T565 VanDerWaalsContact C-N 3.29Å; T565-I567 PolarHBondContact O-N 2.93Å
566	V	71.9	Confident	58.7	Low	8 Å²	8	72.1 Å²	72.1	5%	0.048	41%	0.409	C	S	.	.			trans	-91.1	107.2	-179.9	-165.6	0	0	0	0	110.5	L520 L522 V528 P546 D548 S568	L520-V566 HydrophobicContact CD1-CB 4.46Å; L520-V566 HydrophobicContact CD1-CG1 4.29Å; L520-V566 HydrophobicContact CD2-CB 4.47Å; L520-V566 HydrophobicContact CD2-CG1 3.49Å; L520-V566 VanDerWaalsContact CD2-CG1 3.49Å; L522-V566 HydrophobicContact CD1-CG1 3.69Å; L522-V566 HydrophobicContact CD1-CG2 4.18Å; L522-V566 HydrophobicContact CD2-CG1 3.83Å; L522-V566 HydrophobicContact CG-CG1 3.72Å; V528-V566 HydrophobicContact CG2-CG2 4.13Å; P546-V566 HydrophobicContact CB-CB 4.37Å; P546-V566 HydrophobicContact CG-CB 4.31Å; P546-V566 WeakPolarHBondContact CG-O 3.17Å; P546-V566 PolarHBondContact O-N 3.12Å; D548-V566 HydrophobicContact CB-CG2 4.24Å; V566-S568 PolarHBondContact O-N 2.79Å
567	I	67.9	Low	57.3	Low	51 Å²	51	76.6 Å²	76.6	26%	0.262	44%	0.44	S	S	.	.			trans	-85.7	112.7	-179.4	-52.5	178.4	0	0	0	110.4	P474 T565 W569	P474-I567 HydrophobicContact CG-CG2 3.7Å; T565-I567 PolarHBondContact O-N 2.93Å; I567-W569 HydrophobicContact CG2-CD2 4.04Å; I567-W569 HydrophobicContact CG2-CG 4.29Å; I567-W569 HydrophobicContact CG2-CZ2 3.85Å; I567-W569 PolarHBondContact O-N 2.85Å
568	S	63.4	Low	56.2	Low	8 Å²	8	78.9 Å²	78.9	6%	0.056	46%	0.46	C	S	.	.			trans	-75	107.2	167.3	-170.7	0	0	0	0	109.9	S483 V566 S570	S483-S568 PolarHBondContact OG-N 3.33Å; V566-S568 PolarHBondContact O-N 2.79Å; S568-S570 PolarHBondContact OG-OG 2.88Å; S568-S570 VanDerWaalsContact OG-OG 3.13Å
569	W	57.3	Low	55.6	Low	198 Å²	198	77.5 Å²	77.5	75%	0.75	47%	0.469	S	S	*	.			trans	-95	-4.5	168.4	-62.7	100.4	0	0	0	112.9	I567	I567-W569 HydrophobicContact CG2-CD2 4.04Å; I567-W569 HydrophobicContact CG2-CG 4.29Å; I567-W569 HydrophobicContact CG2-CZ2 3.85Å; I567-W569 PolarHBondContact O-N 2.85Å
570	S	49.4	Very low	54.5	Low	71 Å²	71	79.6 Å²	79.6	50%	0.497	48%	0.483	S	S	.	.	S	Bend	trans	-71.4	133.6	175.8	26.5	0	0	0	0	110.9	S568	S568-S570 PolarHBondContact OG-OG 2.88Å; S568-S570 VanDerWaalsContact OG-OG 3.13Å
571	V	52	Low	53.4	Low	121 Å²	121	85.6 Å²	85.6	73%	0.733	49%	0.492	S	S	*	.			trans	-49.9	142.5	155.7	178.4	0	0	0	0	107.8	E573	V571-E573 PolarHBondContact O-N 2.65Å
572	P	49.9	Very low	52.2	Low	58 Å²	58	83.4 Å²	83.4	38%	0.377	49%	0.485	S	S	.	.			trans	-60.1	91.5	-176.3	22.3	-34.7	0	0	0	113	F470	F470-P572 HydrophobicContact CD2-CB 3.82Å; F470-P572 HydrophobicContact CD2-CG 4.47Å; F470-P572 HydrophobicContact CE2-CB 4.4Å; F470-P572 HydrophobicContact CG-CB 4.41Å
573	E	45.2	Very low	51.2	Low	167 Å²	167	83.3 Å²	83.3	78%	0.78	49%	0.486	S	S	*	.			trans	-67.2	153	164.4	-66.2	-166.4	146.2	0	0	109.8	V571 A575	V571-E573 PolarHBondContact O-N 2.65Å; E573-A575 PolarHBondContact O-N 2.99Å
574	E	41.8	Very low	50.3	Low	138 Å²	138	79.2 Å²	79.2	65%	0.645	46%	0.457	S	S	*	.			trans	-68.2	111.5	-170.8	-60.1	-163	103.1	0	0	111.8	K490 P576	K490-E574 IonicContact NZ-OE1 3.68Å; K490-E574 PolarHBondContact NZ-OE1 3.33Å; E574-P576 WeakPolarHBondContact O-CD 3.3Å
575	A	44.7	Very low	49.4	Very low	37 Å²	37	79.8 Å²	79.8	31%	0.306	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-50.5	124.6	162.2	0	0	0	0	0	109	P518 E573 C577	P518-A575 HydrophobicContact CB-CB 4.24Å; E573-A575 PolarHBondContact O-N 2.99Å; A575-C577 PolarHBondContact O-N 3.02Å
576	P	38.6	Very low	48.4	Very low	105 Å²	105	79.1 Å²	79.1	68%	0.682	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-53.1	132.5	-171.4	-30.9	36.1	0	0	0	113.1	E574 C578	E574-P576 WeakPolarHBondContact O-CD 3.3Å; P576-C578 PolarHBondContact O-N 3.39Å
577	C	32.7	Very low	47.4	Very low	107 Å²	107	79.7 Å²	79.7	72%	0.723	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-56.2	119.4	-160.8	-74	0	0	0	0	115.2	A575	A575-C577 PolarHBondContact O-N 3.02Å
578	C	34	Very low	46.7	Very low	106 Å²	106	78.9 Å²	78.9	72%	0.716	45%	0.451	S	S	*	.			trans	-146.2	98	147.7	-102.3	0	0	0	0	110.2	P576 C580	P576-C578 PolarHBondContact O-N 3.39Å; C578-C580 PolarHBondContact O-N 2.98Å
579	A	37.7	Very low	46	Very low	99 Å²	99	80.6 Å²	80.6	82%	0.818	46%	0.462	S	S	*	.			trans	-71.7	14.2	175.6	0	0	0	0	0	113.7
580	C	34.2	Very low	45.6	Very low	106 Å²	106	74.8 Å²	74.8	72%	0.716	44%	0.441	S	S	*	.	S	Bend	trans	-126.5	99.2	-175.2	-67.9	0	0	0	0	108.9	C578	C578-C580 PolarHBondContact O-N 2.98Å
581	K	40.2	Very low	45.1	Very low	183 Å²	183	75 Å²	75	80%	0.796	44%	0.436	S	S	*	.			trans	64	86.7	179.1	-50.8	178.3	-178	-177.3	0	113.9	S583	K581-S583 PolarHBondContact O-N 2.91Å
582	A	45.6	Very low	44.8	Very low	30 Å²	30	70.2 Å²	70.2	25%	0.248	41%	0.405	C	S	.	.			trans	-72.8	47.8	164.3	0	0	0	0	0	112.1	I458 L469 V584	I458-A582 HydrophobicContact CD1-CB 4.17Å; L469-A582 HydrophobicContact CB-CB 4.35Å; A582-V584 PolarHBondContact O-N 3.49Å
583	S	50	Low	44.3	Very low	34 Å²	34	71.1 Å²	71.1	24%	0.238	41%	0.407	C	S	.	.			trans	-77	87.4	177.8	54.2	0	0	0	0	109.7	K581 L585	K581-S583 PolarHBondContact O-N 2.91Å; S583-L585 PolarHBondContact O-N 2.8Å
584	V	54.2	Low	43.9	Very low	0 Å²	0	66.2 Å²	66.2	0%	0	39%	0.385	C	S	.	.			trans	-63.8	123.8	158	164.9	0	0	0	0	107.9	V455 L456 L469 L485 W500 R515 N516 A517 A582 I586	V455-V584 WeakPolarHBondContact CA-O 3.45Å; L456-V584 PolarHBondContact N-O 3.01Å; L469-V584 HydrophobicContact CD2-CB 3.98Å; L469-V584 HydrophobicContact CD2-CG2 3.27Å; L485-V584 HydrophobicContact CD1-CG1 4.26Å; W500-V584 HydrophobicContact CH2-CG1 4.45Å; W500-V584 HydrophobicContact CZ3-CG1 4.41Å; R515-V584 WeakPolarHBondContact O-CA 3.47Å; N516-V584 WeakPolarHBondContact O-CG2 3.27Å; A517-V584 HydrophobicContact CB-CG2 4.27Å; A582-V584 PolarHBondContact O-N 3.49Å; V584-I586 HydrophobicContact CG1-CG1 3.98Å
585	L	51.6	Low	43.6	Very low	35 Å²	35	62.6 Å²	62.6	18%	0.183	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	103	177.2	-73.4	162.2	0	0	0	106.8	E453 H454 V455 R515 S583	E453-L585 HydrophobicContact CB-CD2 3.91Å; H454-L585 WeakPolarHBondContact O-CA 3.25Å; V455-L585 HydrophobicContact CG2-CD2 3.66Å; R515-L585 HydrophobicContact CB-CB 3.93Å; R515-L585 PolarHBondContact N-O 2.78Å; R515-L585 PolarHBondContact O-N 2.91Å; S583-L585 PolarHBondContact O-N 2.8Å
586	I	54.8	Low	42.9	Very low	0 Å²	0	63.8 Å²	63.8	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	111.4	170.7	-69.8	-167.6	0	0	0	107.7	E453 H454 W500 V512 L514 V544 V584	E453-I586 WeakPolarHBondContact CA-O 3.29Å; H454-I586 HydrophobicContact CB-CB 4.25Å; H454-I586 PolarHBondContact N-O 3Å; H454-I586 PolarHBondContact O-N 3.42Å; W500-I586 HydrophobicContact CD2-CD1 4.47Å; W500-I586 HydrophobicContact CE3-CD1 4.01Å; W500-I586 HydrophobicContact CE3-CG1 4.46Å; W500-I586 HydrophobicContact CH2-CD1 3.35Å; W500-I586 HydrophobicContact CH2-CG1 4.05Å; W500-I586 HydrophobicContact CZ2-CD1 3.85Å; W500-I586 HydrophobicContact CZ3-CD1 3.42Å; W500-I586 VanDerWaalsContact CZ3-CD1 3.42Å; W500-I586 HydrophobicContact CZ3-CG1 3.76Å; V512-I586 HydrophobicContact CB-CG2 3.69Å; V512-I586 HydrophobicContact CG1-CG2 3.61Å; V512-I586 HydrophobicContact CG2-CG2 3.86Å; L514-I586 HydrophobicContact CD2-CD1 4.38Å; L514-I586 HydrophobicContact CD2-CG1 4.01Å; V544-I586 HydrophobicContact CB-CD1 4.32Å; V544-I586 HydrophobicContact CG1-CD1 3.85Å; V544-I586 HydrophobicContact CG2-CD1 3.62Å; V584-I586 HydrophobicContact CG1-CG1 3.98Å
587	K	50	Low	43	Very low	20 Å²	20	64.1 Å²	64.1	9%	0.087	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	100.2	-172.2	-178.2	160.6	166.7	-82.5	0	109.6	L451 T452 E453 E513	L451-K587 HydrophobicContact CB-CG 4.3Å; L451-K587 HydrophobicContact CD2-CD 4.33Å; L451-K587 HydrophobicContact CD2-CG 3.71Å; T452-K587 WeakPolarHBondContact O-CA 3.42Å; E453-K587 HydrophobicContact CG-CD 4.48Å; E453-K587 HydrophobicContact CG-CG 4.44Å; E513-K587 HydrophobicContact CB-CB 4.16Å; E513-K587 VanDerWaalsContact CD-NZ 3.33Å; E513-K587 PolarHBondContact N-O 3.3Å; E513-K587 VanDerWaalsContact N-O 3.15Å; E513-K587 PolarHBondContact O-N 3.03Å; E513-K587 IonicContact OE1-NZ 3.17Å; E513-K587 PolarHBondContact OE1-NZ 3.46Å; E513-K587 IonicContact OE2-NZ 3.11Å; E513-K587 PolarHBondContact OE2-NZ 3.23Å
588	R	53.7	Low	43.5	Very low	34 Å²	34	65 Å²	65	13%	0.128	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	122	179.9	-170.8	-176.7	-179.1	-147.4	-7.5	108.9	L451 T452 Y510 Y590	L451-R588 WeakPolarHBondContact CA-O 3.41Å; T452-R588 PolarHBondContact N-O 3.38Å; T452-R588 PolarHBondContact O-N 3.45Å; Y510-R588 HydrophobicContact CE2-CG 4.43Å; R588-Y590 VanDerWaalsContact C-N 3.31Å; R588-Y590 WeakPolarHBondContact CD-O 3.39Å; R588-Y590 VanDerWaalsContact CZ-O 3.23Å; R588-Y590 PolarHBondContact NE-O 2.94Å; R588-Y590 VanDerWaalsContact NE-O 3.1Å; R588-Y590 PolarHBondContact O-N 3.22Å
589	P	47.3	Very low	44.2	Very low	43 Å²	43	62.8 Å²	62.8	28%	0.279	38%	0.382	S	S	.	.	S	Bend	trans	-70.6	-20.7	-173.9	25.8	-33.7	0	0	0	115.3	S449 L451	S449-P589 WeakPolarHBondContact CB-O 3.2Å; L451-P589 HydrophobicContact CD2-CB 4.42Å
590	Y	49.3	Very low	44.7	Very low	77 Å²	77	61.4 Å²	61.4	30%	0.302	37%	0.37	S	S	.	.			trans	-143.8	121.1	178.6	-55	-77.7	0	0	0	109.6	R588 F592 L637	R588-Y590 VanDerWaalsContact C-N 3.31Å; R588-Y590 WeakPolarHBondContact CD-O 3.39Å; R588-Y590 VanDerWaalsContact CZ-O 3.23Å; R588-Y590 PolarHBondContact NE-O 2.94Å; R588-Y590 VanDerWaalsContact NE-O 3.1Å; R588-Y590 PolarHBondContact O-N 3.22Å; Y590-F592 HydrophobicContact CD1-CE2 4.01Å; Y590-L637 HydrophobicContact CD1-CD2 4.34Å
591	L	39.4	Very low	45.6	Very low	75 Å²	75	57.8 Å²	57.8	39%	0.393	35%	0.345	S	S	.	.			trans	-108.7	72.1	174.3	-173.9	105.4	0	0	0	110.7	T452	T452-L591 HydrophobicContact CG2-CD1 3.99Å; T452-L591 VanDerWaalsContact OG1-CB 3.31Å; T452-L591 WeakPolarHBondContact OG1-CB 3.42Å; T452-L591 WeakPolarHBondContact OG1-CD1 3.43Å
592	F	45.7	Very low	46.2	Very low	21 Å²	21	50 Å²	50	9%	0.092	31%	0.313	C	S	.	.			trans	-112.9	128.4	171.2	-52.1	-53.5	0	0	0	110.4	Y590 L637 N639 D640 A643	Y590-F592 HydrophobicContact CD1-CE2 4.01Å; F592-L637 HydrophobicContact CD2-CD2 3.79Å; F592-L637 HydrophobicContact CD2-CG 4.05Å; F592-L637 HydrophobicContact CE2-CB 4.48Å; F592-L637 HydrophobicContact CE2-CD2 3.52Å; F592-L637 HydrophobicContact CE2-CG 3.56Å; F592-L637 HydrophobicContact CZ-CG 4.31Å; F592-L637 VanDerWaalsContact CZ-O 3.32Å; F592-L637 WeakPolarHBondContact CZ-O 3.47Å; F592-N639 VanDerWaalsContact CE1-C 3.46Å; F592-N639 VanDerWaalsContact CE1-CA 3.5Å; F592-D640 VanDerWaalsContact CA-OD1 3.27Å; F592-D640 WeakPolarHBondContact CA-OD1 3.31Å; F592-A643 HydrophobicContact CB-CB 3.4Å; F592-A643 VanDerWaalsContact CB-CB 3.4Å; F592-A643 HydrophobicContact CD1-CB 4.25Å; F592-A643 HydrophobicContact CD2-CB 3.86Å; F592-A643 HydrophobicContact CG-CB 3.56Å
593	D	40.5	Very low	46.5	Very low	77 Å²	77	54 Å²	54	41%	0.412	34%	0.337	S	S	.	.			trans	-108.2	100.1	175.4	-178.7	16.2	0	0	0	110.5	G595 S596 D640	D593-G595 PolarHBondContact O-N 3.41Å; D593-G595 PolarHBondContact OD1-N 3.03Å; D593-S596 VanDerWaalsContact CG-OG 3.25Å; D593-S596 WeakPolarHBondContact OD2-CB 3.3Å; D593-S596 PolarHBondContact OD2-OG 3.37Å; D593-D640 PolarHBondContact N-OD1 3.11Å; D593-D640 VanDerWaalsContact N-OD1 3.12Å
594	I	36.8	Very low	46.9	Very low	63 Å²	63	57.7 Å²	57.7	32%	0.323	35%	0.354	S	S	.	.	S	Bend	trans	-78.2	-9.6	-178.7	-53.9	146.9	0	0	0	111.1	A643 F647 Q648	I594-A643 HydrophobicContact CG1-CB 4.47Å; I594-F647 HydrophobicContact CD1-CB 3.63Å; I594-F647 HydrophobicContact CD1-CD2 3.68Å; I594-F647 HydrophobicContact CD1-CG 3.9Å; I594-F647 HydrophobicContact CG1-CB 4.26Å; I594-F647 HydrophobicContact CG1-CD2 4.34Å; I594-F647 HydrophobicContact CG2-CB 4.49Å; I594-Q648 HydrophobicContact CG2-CB 3.87Å; I594-Q648 HydrophobicContact CG2-CG 4.01Å; I594-Q648 PolarHBondContact O-NE2 3.07Å
595	G	34.6	Very low	46.9	Very low	63 Å²	63	58.7 Å²	58.7	65%	0.649	36%	0.358	S	S	*	.	S	Bend	trans	-89.3	-30.3	-174.8	0	0	0	0	0	115.5	D593 S597	D593-G595 PolarHBondContact O-N 3.41Å; D593-G595 PolarHBondContact OD1-N 3.03Å; G595-S597 VanDerWaalsContact C-N 3.28Å; G595-S597 PolarHBondContact O-N 3.39Å
596	S	30.4	Very low	46.7	Very low	62 Å²	62	58.3 Å²	58.3	43%	0.434	36%	0.358	S	S	.	.	S	Bend	trans	-84.5	56.2	-168.8	47.5	0	0	0	0	115.7	D593 T598	D593-S596 VanDerWaalsContact CG-OG 3.25Å; D593-S596 WeakPolarHBondContact OD2-CB 3.3Å; D593-S596 PolarHBondContact OD2-OG 3.37Å; S596-T598 VanDerWaalsContact C-N 3.34Å; S596-T598 PolarHBondContact O-N 3.21Å
597	S	40.6	Very low	46.3	Very low	112 Å²	112	60.4 Å²	60.4	78%	0.783	38%	0.379	S	S	*	.	S	Bend	trans	59.7	-16.4	143.1	71.9	0	0	0	0	123.2	G595	G595-S597 VanDerWaalsContact C-N 3.28Å; G595-S597 PolarHBondContact O-N 3.39Å
598	T	43.9	Very low	46.2	Very low	126 Å²	126	63.5 Å²	63.5	77%	0.773	39%	0.39	S	S	*	.			trans	-130.1	-17.2	-174.1	53.5	0	0	0	0	118	S596 A600	S596-T598 VanDerWaalsContact C-N 3.34Å; S596-T598 PolarHBondContact O-N 3.21Å; T598-A600 PolarHBondContact O-N 3.09Å
599	T	46.9	Very low	45.7	Very low	59 Å²	59	68.8 Å²	68.8	36%	0.362	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-76	117	-173.9	-53.8	0	0	0	0	111.6	D640	T599-D640 HydrophobicContact CG2-CB 3.98Å
600	A	50.1	Low	45.7	Very low	70 Å²	70	68.4 Å²	68.4	58%	0.579	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-70.3	153.9	172.9	0	0	0	0	0	111.3	T598 S641	T598-A600 PolarHBondContact O-N 3.09Å; A600-S641 WeakPolarHBondContact O-CA 3.39Å; A600-S641 WeakPolarHBondContact O-CB 3.47Å; A600-S641 PolarHBondContact O-OG 2.98Å; A600-S641 VanDerWaalsContact O-OG 3.05Å
601	P	51.6	Low	45.4	Very low	30 Å²	30	65.5 Å²	65.5	20%	0.195	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-78.8	159	-178.9	33.9	-41	0	0	0	114.5	P603 S641 V644 A645 L650	P601-P603 WeakPolarHBondContact O-CD 3.23Å; P601-S641 CarbonylContact C-O 3.58Å; P601-S641 WeakPolarHBondContact CA-O 3.46Å; P601-V644 HydrophobicContact CB-CG1 3.98Å; P601-A645 HydrophobicContact CB-CB 3.92Å; P601-L650 HydrophobicContact CB-CD1 3.57Å; P601-L650 HydrophobicContact CG-CD1 3.52Å; P601-L650 HydrophobicContact CG-CD2 3.65Å; P601-L650 HydrophobicContact CG-CG 4.21Å
602	T	53.5	Low	45.8	Very low	20 Å²	20	67 Å²	67	12%	0.123	40%	0.399	C	S	.	.			trans	-75.1	106.8	170.3	-63.5	0	0	0	0	110.3	N604 K605 C606 S641 D642	T602-N604 WeakPolarHBondContact CG2-OD1 3.11Å; T602-N604 PolarHBondContact O-N 3.27Å; T602-K605 HydrophobicContact CG2-CB 4.05Å; T602-K605 HydrophobicContact CG2-CD 3.9Å; T602-K605 HydrophobicContact CG2-CG 3.74Å; T602-K605 PolarHBondContact O-N 3.08Å; T602-C606 PolarHBondContact O-N 2.97Å; T602-C606 VanDerWaalsContact O-N 3.16Å; T602-C606 PolarHBondContact O-SG 3.21Å; T602-S641 WeakPolarHBondContact CA-OG 3.4Å; T602-S641 PolarHBondContact N-O 2.83Å; T602-S641 PolarHBondContact N-OG 3.15Å; T602-S641 VanDerWaalsContact OG1-C 3.26Å; T602-S641 PolarHBondContact OG1-O 2.87Å; T602-S641 PolarHBondContact OG1-OG 2.98Å; T602-D642 WeakPolarHBondContact CB-OD1 3.27Å; T602-D642 WeakPolarHBondContact CG2-OD1 3.46Å; T602-D642 PolarHBondContact OG1-N 3.01Å; T602-D642 PolarHBondContact OG1-OD1 2.99Å
603	P	51.6	Low	45.9	Very low	113 Å²	113	67.5 Å²	67.5	73%	0.734	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-25	-161.7	-24.4	36.7	0	0	0	115.7	P601	P601-P603 WeakPolarHBondContact O-CD 3.23Å
604	N	58.3	Low	47.3	Very low	112 Å²	112	66.9 Å²	66.9	60%	0.599	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-16.1	178.9	62.9	-23.3	0	0	0	113.9	T602 R608	T602-N604 WeakPolarHBondContact CG2-OD1 3.11Å; T602-N604 PolarHBondContact O-N 3.27Å; N604-R608 PolarHBondContact O-NE 3.12Å; N604-R608 PolarHBondContact O-NH2 2.89Å
605	K	54.9	Low	48.9	Very low	21 Å²	21	66.7 Å²	66.7	9%	0.091	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-20	172.3	-59.4	-173.1	-168.9	177.1	0	112.5	T602 G607 R608 W610 L631 D636 E638 D642 A645	T602-K605 HydrophobicContact CG2-CB 4.05Å; T602-K605 HydrophobicContact CG2-CD 3.9Å; T602-K605 HydrophobicContact CG2-CG 3.74Å; T602-K605 PolarHBondContact O-N 3.08Å; K605-G607 PolarHBondContact O-N 2.71Å; K605-R608 VanDerWaalsContact O-CG 3.3Å; K605-R608 WeakPolarHBondContact O-CG 3.22Å; K605-R608 PolarHBondContact O-N 3.13Å; K605-W610 HydrophobicContact CB-CZ2 4.07Å; K605-W610 HydrophobicContact CD-CH2 4.19Å; K605-L631 HydrophobicContact CB-CD1 3.69Å; K605-L631 HydrophobicContact CD-CD1 4.22Å; K605-L631 HydrophobicContact CG-CD1 3.76Å; K605-D636 WeakPolarHBondContact CD-O 3.16Å; K605-D636 WeakPolarHBondContact CE-O 3.38Å; K605-D636 PolarHBondContact NZ-O 3.01Å; K605-E638 IonicContact NZ-OE2 3.65Å; K605-E638 PolarHBondContact NZ-OE2 2.95Å; K605-D642 HydrophobicContact CD-CB 4.18Å; K605-D642 WeakPolarHBondContact CD-OD1 3.37Å; K605-D642 IonicContact NZ-OD1 2.77Å; K605-D642 PolarHBondContact NZ-OD1 3.17Å; K605-D642 IonicContact NZ-OD2 3.25Å; K605-D642 PolarHBondContact NZ-OD2 3.17Å; K605-A645 HydrophobicContact CB-CB 4.43Å
606	C	47.9	Very low	49.7	Very low	26 Å²	26	65 Å²	65	18%	0.176	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	125.2	174.2	-74.5	0	0	0	0	113.1	T602 R608 L652	T602-C606 PolarHBondContact O-N 2.97Å; T602-C606 VanDerWaalsContact O-N 3.16Å; T602-C606 PolarHBondContact O-SG 3.21Å; C606-R608 PolarHBondContact O-N 2.82Å; C606-L652 HydrophobicContact CB-CD1 4.09Å
607	G	44.8	Very low	51.2	Low	44 Å²	44	62 Å²	62	45%	0.454	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	13.2	171.4	0	0	0	0	0	115.8	K605 R654	K605-G607 PolarHBondContact O-N 2.71Å; G607-R654 PolarHBondContact O-NH2 2.82Å
608	R	48.7	Very low	52.5	Low	85 Å²	85	59.6 Å²	59.6	32%	0.321	34%	0.343	S	S	.	.			trans	-70.6	162.6	160	-56.6	-68.9	-175.6	171.4	-0.9	109.9	N604 K605 C606 D628 L631	N604-R608 PolarHBondContact O-NE 3.12Å; N604-R608 PolarHBondContact O-NH2 2.89Å; K605-R608 VanDerWaalsContact O-CG 3.3Å; K605-R608 WeakPolarHBondContact O-CG 3.22Å; K605-R608 PolarHBondContact O-N 3.13Å; C606-R608 PolarHBondContact O-N 2.82Å; R608-D628 WeakPolarHBondContact CD-O 3.33Å; R608-D628 VanDerWaalsContact CZ-O 3.29Å; R608-D628 PolarHBondContact NH1-O 3.33Å; R608-L631 HydrophobicContact CB-CD1 3.78Å; R608-L631 HydrophobicContact CB-CG 3.85Å; R608-L631 HydrophobicContact CG-CD1 3.77Å; R608-L631 HydrophobicContact CG-CG 4.02Å
609	W	43.5	Very low	52.9	Low	145 Å²	145	57.5 Å²	57.5	55%	0.549	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	132.4	173.7	-69.9	93.5	0	0	0	110.6	L629 Y630 L631	W609-L629 PolarHBondContact N-O 3.24Å; W609-Y630 HydrophobicContact CB-CD1 3.64Å; W609-Y630 HydrophobicContact CB-CE1 3.68Å; W609-Y630 HydrophobicContact CB-CG 4.39Å; W609-Y630 HydrophobicContact CG-CE1 4.2Å; W609-Y630 CarbonylContact O-C 3.6Å; W609-Y630 VanDerWaalsContact O-CA 3.29Å; W609-Y630 WeakPolarHBondContact O-CA 3.34Å; W609-L631 PolarHBondContact O-N 3.42Å
610	W	47.6	Very low	52.7	Low	35 Å²	35	59.3 Å²	59.3	13%	0.133	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	130.2	-174.1	-65.9	85.1	0	0	0	112.3	K605 L631 Y633 D636 L637 A646	K605-W610 HydrophobicContact CB-CZ2 4.07Å; K605-W610 HydrophobicContact CD-CH2 4.19Å; W610-L631 CarbonylContact C-O 3.59Å; W610-L631 VanDerWaalsContact CA-O 3.32Å; W610-L631 WeakPolarHBondContact CA-O 3.34Å; W610-L631 HydrophobicContact CD2-CB 3.98Å; W610-L631 HydrophobicContact CD2-CD1 4.45Å; W610-L631 HydrophobicContact CE3-CB 3.76Å; W610-L631 HydrophobicContact CH2-CB 4.34Å; W610-L631 HydrophobicContact CH2-CD1 3.75Å; W610-L631 HydrophobicContact CZ2-CD1 3.6Å; W610-L631 HydrophobicContact CZ3-CB 3.94Å; W610-L631 HydrophobicContact CZ3-CD1 4.21Å; W610-Y633 HydrophobicContact CB-CD1 4.02Å; W610-Y633 HydrophobicContact CB-CD2 4.49Å; W610-Y633 HydrophobicContact CB-CE1 3.4Å; W610-Y633 VanDerWaalsContact CB-CE1 3.4Å; W610-Y633 HydrophobicContact CB-CE2 3.93Å; W610-Y633 HydrophobicContact CD2-CD1 4.1Å; W610-Y633 AromaticContact CD2-CE1 3.91Å; W610-Y633 HydrophobicContact CD2-CE1 3.91Å; W610-Y633 AromaticContact CE3-CD1 3.61Å; W610-Y633 HydrophobicContact CE3-CD1 3.61Å; W610-Y633 AromaticContact CE3-CE1 3.92Å; W610-Y633 HydrophobicContact CE3-CE1 3.92Å; W610-Y633 HydrophobicContact CE3-CG 4.42Å; W610-Y633 HydrophobicContact CG-CD1 4.32Å; W610-Y633 AromaticContact CG-CE1 3.74Å; W610-Y633 HydrophobicContact CG-CE1 3.74Å; W610-Y633 HydrophobicContact CZ3-CD1 4.34Å; W610-D636 HydrophobicContact CH2-CB 4.31Å; W610-D636 WeakPolarHBondContact CH2-O 3.47Å; W610-D636 HydrophobicContact CZ3-CB 3.87Å; W610-L637 HydrophobicContact CH2-CB 4.37Å; W610-L637 HydrophobicContact CH2-CD1 3.9Å; W610-L637 HydrophobicContact CZ3-CB 3.85Å; W610-L637 HydrophobicContact CZ3-CD1 3.93Å; W610-A646 HydrophobicContact CD2-CB 4.02Å; W610-A646 VanDerWaalsContact CE2-CB 3.48Å; W610-A646 HydrophobicContact CG-CB 4.38Å; W610-A646 HydrophobicContact CH2-CB 4.35Å; W610-A646 HydrophobicContact CZ2-CB 3.67Å
611	T	43.4	Very low	52.6	Low	16 Å²	16	56.4 Å²	56.4	10%	0.098	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	162.2	175.7	61.4	0	0	0	0	111.2	T613 C617 F620 Y630 L631 A632 Y633	T611-T613 PolarHBondContact OG1-O 2.75Å; T611-C617 HydrophobicContact CG2-CB 4.46Å; T611-C617 WeakPolarHBondContact OG1-CA 3.45Å; T611-C617 VanDerWaalsContact OG1-CB 3.27Å; T611-C617 WeakPolarHBondContact OG1-CB 3.14Å; T611-C617 PolarHBondContact OG1-N 3.47Å; T611-F620 HydrophobicContact CG2-CD2 3.87Å; T611-F620 HydrophobicContact CG2-CE2 4.28Å; T611-Y630 HydrophobicContact CG2-CD1 4.48Å; T611-L631 PolarHBondContact N-O 3.47Å; T611-L631 PolarHBondContact OG1-O 2.84Å; T611-A632 CarbonylContact O-C 3.49Å; T611-A632 WeakPolarHBondContact O-CA 3.09Å; T611-Y633 WeakPolarHBondContact O-CD2 3.45Å; T611-Y633 PolarHBondContact O-N 2.9Å
612	E	45.8	Very low	52.4	Low	106 Å²	106	63.7 Å²	63.7	50%	0.495	33%	0.326	S	S	.	.	S	Bend	trans	-61.3	-57.8	173.4	-172.9	177.1	-177.4	0	0	110.7	R550 E634	R550-E612 IonicContact CZ-OE1 2.72Å; R550-E612 IonicContact NH1-OE1 3.15Å; R550-E612 PolarHBondContact NH1-OE1 3.43Å; R550-E612 IonicContact NH2-OE1 2.71Å; R550-E612 PolarHBondContact NH2-OE1 3.48Å; E612-E634 VanDerWaalsContact O-CB 3.29Å; E612-E634 WeakPolarHBondContact O-CB 3.2Å; E612-E634 PolarHBondContact O-N 2.88Å; E612-E634 VanDerWaalsContact O-N 3.08Å
613	T	48.2	Very low	51.9	Low	33 Å²	33	69 Å²	69	20%	0.202	35%	0.35	C	S	.	.	S	Bend	trans	-107.7	155.7	-174.6	63.9	0	0	0	0	113.6	T611 A615 A616 C617 A632 E634	T611-T613 PolarHBondContact OG1-O 2.75Å; T613-A615 VanDerWaalsContact C-N 3.31Å; T613-A616 PolarHBondContact O-N 3.17Å; T613-A616 WeakPolarHBondContact OG1-CB 3.09Å; T613-A616 PolarHBondContact OG1-N 2.88Å; T613-C617 PolarHBondContact O-N 3.38Å; T613-A632 WeakPolarHBondContact O-CB 3.28Å; T613-E634 WeakPolarHBondContact CA-OE2 3.33Å; T613-E634 WeakPolarHBondContact CB-OE2 3.3Å
614	K	69.7	Low	51.3	Low	64 Å²	64	66.3 Å²	66.3	28%	0.278	33%	0.333	S	S	.	.	H	α-helix	trans	-66.2	-34.6	174.4	-173.8	49.4	170.6	163.7	0	111.7	A616 C617 D618 A632 E634 T635	K614-A616 VanDerWaalsContact C-N 3.32Å; K614-A616 PolarHBondContact O-N 2.9Å; K614-C617 HydrophobicContact CD-CB 4.21Å; K614-C617 PolarHBondContact NZ-SG 3.45Å; K614-C617 VanDerWaalsContact NZ-SG 3.39Å; K614-C617 WeakPolarHBondContact O-CB 3.45Å; K614-C617 PolarHBondContact O-N 2.94Å; K614-D618 WeakPolarHBondContact CE-OD1 3.28Å; K614-D618 WeakPolarHBondContact CE-OD2 3.33Å; K614-D618 IonicContact NZ-OD1 3.68Å; K614-D618 PolarHBondContact NZ-OD1 3Å; K614-D618 IonicContact NZ-OD2 3.87Å; K614-D618 WeakPolarHBondContact O-CB 3.24Å; K614-D618 VanDerWaalsContact O-CG 3.28Å; K614-D618 PolarHBondContact O-N 3.33Å; K614-A632 HydrophobicContact CB-CB 4.14Å; K614-A632 HydrophobicContact CD-CB 4.4Å; K614-E634 PolarHBondContact N-OE2 2.87Å; K614-T635 HydrophobicContact CB-CG2 3.82Å; K614-T635 HydrophobicContact CG-CG2 4.16Å
615	A	70.3	Confident	50.4	Low	59 Å²	59	62.7 Å²	62.7	49%	0.488	32%	0.323	S	S	.	.	H	α-helix	trans	-58	-43.4	171.6	0	0	0	0	0	112.2	T613 E619	T613-A615 VanDerWaalsContact C-N 3.31Å; A615-E619 WeakPolarHBondContact O-CB 3.32Å; A615-E619 PolarHBondContact O-N 3.32Å
616	A	53.1	Low	49.8	Very low	26 Å²	26	64 Å²	64	22%	0.215	33%	0.334	C	S	.	.	H	α-helix	trans	-68.8	-44.6	176.1	0	0	0	0	0	112.2	T613 K614 D618 E619 F620	T613-A616 PolarHBondContact O-N 3.17Å; T613-A616 WeakPolarHBondContact OG1-CB 3.09Å; T613-A616 PolarHBondContact OG1-N 2.88Å; K614-A616 VanDerWaalsContact C-N 3.32Å; K614-A616 PolarHBondContact O-N 2.9Å; A616-D618 VanDerWaalsContact C-N 3.33Å; A616-D618 PolarHBondContact O-N 3.4Å; A616-E619 PolarHBondContact O-N 2.91Å; A616-F620 HydrophobicContact CB-CE2 4.45Å; A616-F620 WeakPolarHBondContact O-CD2 3.24Å; A616-F620 PolarHBondContact O-N 3.24Å
617	C	60.2	Low	49.9	Very low	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-51.1	-53.5	171.7	158.4	0	0	0	0	110.6	T611 T613 K614 E619 F620 A621 Y630 A632	T611-C617 HydrophobicContact CG2-CB 4.46Å; T611-C617 WeakPolarHBondContact OG1-CA 3.45Å; T611-C617 VanDerWaalsContact OG1-CB 3.27Å; T611-C617 WeakPolarHBondContact OG1-CB 3.14Å; T611-C617 PolarHBondContact OG1-N 3.47Å; T613-C617 PolarHBondContact O-N 3.38Å; K614-C617 HydrophobicContact CD-CB 4.21Å; K614-C617 PolarHBondContact NZ-SG 3.45Å; K614-C617 VanDerWaalsContact NZ-SG 3.39Å; K614-C617 WeakPolarHBondContact O-CB 3.45Å; K614-C617 PolarHBondContact O-N 2.94Å; C617-E619 VanDerWaalsContact C-N 3.31Å; C617-E619 PolarHBondContact O-N 3.4Å; C617-F620 PolarHBondContact O-N 3.02Å; C617-A621 WeakPolarHBondContact O-CB 3.47Å; C617-A621 PolarHBondContact O-N 3.17Å; C617-Y630 PolarHBondContact SG-O 3.14Å; C617-A632 HydrophobicContact CB-CB 4.04Å
618	D	67.8	Low	50.4	Low	62 Å²	62	70.4 Å²	70.4	33%	0.332	36%	0.361	S	S	.	.	H	α-helix	trans	-72.2	-25.5	-174.9	-67.2	-8.9	0	0	0	112.1	K614 A616 R622	K614-D618 WeakPolarHBondContact CE-OD1 3.28Å; K614-D618 WeakPolarHBondContact CE-OD2 3.33Å; K614-D618 IonicContact NZ-OD1 3.68Å; K614-D618 PolarHBondContact NZ-OD1 3Å; K614-D618 IonicContact NZ-OD2 3.87Å; K614-D618 WeakPolarHBondContact O-CB 3.24Å; K614-D618 VanDerWaalsContact O-CG 3.28Å; K614-D618 PolarHBondContact O-N 3.33Å; A616-D618 VanDerWaalsContact C-N 3.33Å; A616-D618 PolarHBondContact O-N 3.4Å; D618-R622 WeakPolarHBondContact O-CB 3.32Å; D618-R622 VanDerWaalsContact O-CG 3.26Å; D618-R622 WeakPolarHBondContact O-CG 3.22Å; D618-R622 PolarHBondContact O-N 2.97Å; D618-R622 VanDerWaalsContact O-N 3.16Å; D618-R622 PolarHBondContact O-NE 3.34Å
619	E	53	Low	50.5	Low	81 Å²	81	69.8 Å²	69.8	38%	0.379	36%	0.363	S	S	.	.	H	α-helix	trans	-68.3	-54.5	167.3	179.4	161.5	-169.2	0	0	112.4	A615 A616 C617 A621 R622 Q623	A615-E619 WeakPolarHBondContact O-CB 3.32Å; A615-E619 PolarHBondContact O-N 3.32Å; A616-E619 PolarHBondContact O-N 2.91Å; C617-E619 VanDerWaalsContact C-N 3.31Å; C617-E619 PolarHBondContact O-N 3.4Å; E619-A621 VanDerWaalsContact C-N 3.31Å; E619-A621 PolarHBondContact O-N 3.16Å; E619-R622 VanDerWaalsContact CA-NH2 3.33Å; E619-R622 PolarHBondContact O-N 3.12Å; E619-R622 VanDerWaalsContact O-N 3.07Å; E619-Q623 HydrophobicContact CG-CG 4.27Å; E619-Q623 WeakPolarHBondContact O-CG 3.42Å; E619-Q623 PolarHBondContact O-N 3.5Å; E619-Q623 PolarHBondContact OE1-NE2 3.41Å
620	F	42.6	Very low	50.8	Low	97 Å²	97	65.2 Å²	65.2	43%	0.425	35%	0.346	S	S	.	.	H	α-helix	trans	-59.7	-42.8	177.7	-72.3	-62.1	0	0	0	111.6	T611 A616 C617 R622 Q623 C624 Y630	T611-F620 HydrophobicContact CG2-CD2 3.87Å; T611-F620 HydrophobicContact CG2-CE2 4.28Å; A616-F620 HydrophobicContact CB-CE2 4.45Å; A616-F620 WeakPolarHBondContact O-CD2 3.24Å; A616-F620 PolarHBondContact O-N 3.24Å; C617-F620 PolarHBondContact O-N 3.02Å; F620-R622 VanDerWaalsContact C-N 3.32Å; F620-R622 PolarHBondContact O-N 3.05Å; F620-Q623 PolarHBondContact O-N 3.4Å; F620-C624 PolarHBondContact O-N 3.03Å; F620-C624 PolarHBondContact O-SG 3.48Å; F620-Y630 HydrophobicContact CB-CD1 4.06Å; F620-Y630 HydrophobicContact CB-CE1 3.96Å; F620-Y630 HydrophobicContact CB-CG 4.41Å
621	A	47.8	Very low	51.1	Low	9 Å²	9	64.5 Å²	64.5	7%	0.074	35%	0.345	C	S	.	.	H	α-helix	trans	-52.6	-44.3	171.4	0	0	0	0	0	113.3	C617 E619 G625 C626	C617-A621 WeakPolarHBondContact O-CB 3.47Å; C617-A621 PolarHBondContact O-N 3.17Å; E619-A621 VanDerWaalsContact C-N 3.31Å; E619-A621 PolarHBondContact O-N 3.16Å; A621-G625 WeakPolarHBondContact O-CA 3.38Å; A621-G625 PolarHBondContact O-N 3.24Å; A621-C626 PolarHBondContact O-N 3.48Å
622	R	47.5	Very low	51.8	Low	183 Å²	183	63.8 Å²	63.8	69%	0.691	34%	0.341	S	S	*	.	H	α-helix	trans	-69.7	-43.4	175.4	-80.2	174.4	-70.8	155.2	2.1	112.1	D618 E619 F620 G625	D618-R622 WeakPolarHBondContact O-CB 3.32Å; D618-R622 VanDerWaalsContact O-CG 3.26Å; D618-R622 WeakPolarHBondContact O-CG 3.22Å; D618-R622 PolarHBondContact O-N 2.97Å; D618-R622 VanDerWaalsContact O-N 3.16Å; D618-R622 PolarHBondContact O-NE 3.34Å; E619-R622 VanDerWaalsContact CA-NH2 3.33Å; E619-R622 PolarHBondContact O-N 3.12Å; E619-R622 VanDerWaalsContact O-N 3.07Å; F620-R622 VanDerWaalsContact C-N 3.32Å; F620-R622 PolarHBondContact O-N 3.05Å; R622-G625 PolarHBondContact O-N 3.31Å
623	Q	43	Very low	52.1	Low	131 Å²	131	62 Å²	62	61%	0.612	33%	0.33	S	S	*	.	H	α-helix	trans	-65.7	-40.2	-179.1	-69.3	-177.2	13.6	0	0	112.4	E619 F620	E619-Q623 HydrophobicContact CG-CG 4.27Å; E619-Q623 WeakPolarHBondContact O-CG 3.42Å; E619-Q623 PolarHBondContact O-N 3.5Å; E619-Q623 PolarHBondContact OE1-NE2 3.41Å; F620-Q623 PolarHBondContact O-N 3.4Å
624	C	39.1	Very low	52.5	Low	57 Å²	57	62.1 Å²	62.1	39%	0.385	33%	0.328	S	S	.	.	H	α-helix	trans	-88.5	-12.9	177.9	73.6	0	0	0	0	114.4	F620 C626 Y630	F620-C624 PolarHBondContact O-N 3.03Å; F620-C624 PolarHBondContact O-SG 3.48Å; C624-C626 VanDerWaalsContact C-N 3.26Å; C624-C626 PolarHBondContact O-N 3.17Å; C624-C626 PolarHBondContact O-SG 3.47Å; C624-C626 PolarHBondContact SG-N 2.96Å; C624-Y630 WeakPolarHBondContact SG-CE2 3.43Å
625	G	38.8	Very low	52.6	Low	37 Å²	37	62 Å²	62	38%	0.381	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	14	-177.2	0	0	0	0	0	115.5	A621 R622 P627	A621-G625 WeakPolarHBondContact O-CA 3.38Å; A621-G625 PolarHBondContact O-N 3.24Å; R622-G625 PolarHBondContact O-N 3.31Å; G625-P627 WeakPolarHBondContact O-CD 3.28Å
626	C	42.9	Very low	52.8	Low	49 Å²	49	60.8 Å²	60.8	33%	0.331	32%	0.318	S	S	.	.			trans	-117.2	77.3	-176.5	-59.9	0	0	0	0	110.5	A621 C624 D628 L629	A621-C626 PolarHBondContact O-N 3.48Å; C624-C626 VanDerWaalsContact C-N 3.26Å; C624-C626 PolarHBondContact O-N 3.17Å; C624-C626 PolarHBondContact O-SG 3.47Å; C624-C626 PolarHBondContact SG-N 2.96Å; C626-D628 PolarHBondContact O-N 2.92Å; C626-L629 HydrophobicContact CB-CB 4.09Å; C626-L629 WeakPolarHBondContact O-CB 3.36Å; C626-L629 PolarHBondContact O-N 2.7Å; C626-L629 VanDerWaalsContact O-N 3.17Å
627	P	50	Low	53.2	Low	84 Å²	84	60.3 Å²	60.3	55%	0.545	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-60.6	-40.8	-165.4	22.8	-33.9	0	0	0	114.2	G625 L629	G625-P627 WeakPolarHBondContact O-CD 3.28Å; P627-L629 PolarHBondContact O-N 3.2Å
628	D	55.1	Low	53.6	Low	119 Å²	119	65.8 Å²	65.8	64%	0.636	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-75.7	-12.2	-175.9	-42.4	-49.6	0	0	0	113.1	R608 C626 Y630	R608-D628 WeakPolarHBondContact CD-O 3.33Å; R608-D628 VanDerWaalsContact CZ-O 3.29Å; R608-D628 PolarHBondContact NH1-O 3.33Å; C626-D628 PolarHBondContact O-N 2.92Å; D628-Y630 VanDerWaalsContact C-N 3.27Å; D628-Y630 PolarHBondContact O-N 3.01Å
629	L	51.9	Low	53.4	Low	73 Å²	73	65.8 Å²	65.8	38%	0.382	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-75.4	-19.3	-169.4	-155.8	79.8	0	0	0	113	W609 C626 P627	W609-L629 PolarHBondContact N-O 3.24Å; C626-L629 HydrophobicContact CB-CB 4.09Å; C626-L629 WeakPolarHBondContact O-CB 3.36Å; C626-L629 PolarHBondContact O-N 2.7Å; C626-L629 VanDerWaalsContact O-N 3.17Å; P627-L629 PolarHBondContact O-N 3.2Å
630	Y	48.8	Very low	53.7	Low	48 Å²	48	64.9 Å²	64.9	19%	0.188	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	143.5	-175.4	-64.1	-95.2	0	0	0	111	W609 T611 C617 F620 C624 D628	W609-Y630 HydrophobicContact CB-CD1 3.64Å; W609-Y630 HydrophobicContact CB-CE1 3.68Å; W609-Y630 HydrophobicContact CB-CG 4.39Å; W609-Y630 HydrophobicContact CG-CE1 4.2Å; W609-Y630 CarbonylContact O-C 3.6Å; W609-Y630 VanDerWaalsContact O-CA 3.29Å; W609-Y630 WeakPolarHBondContact O-CA 3.34Å; T611-Y630 HydrophobicContact CG2-CD1 4.48Å; C617-Y630 PolarHBondContact SG-O 3.14Å; F620-Y630 HydrophobicContact CB-CD1 4.06Å; F620-Y630 HydrophobicContact CB-CE1 3.96Å; F620-Y630 HydrophobicContact CB-CG 4.41Å; C624-Y630 WeakPolarHBondContact SG-CE2 3.43Å; D628-Y630 VanDerWaalsContact C-N 3.27Å; D628-Y630 PolarHBondContact O-N 3.01Å
631	L	55.1	Low	54.5	Low	21 Å²	21	61.5 Å²	61.5	11%	0.11	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	159.7	172.9	-64.1	-178.3	0	0	0	108.2	K605 R608 W609 W610 T611 D636	K605-L631 HydrophobicContact CB-CD1 3.69Å; K605-L631 HydrophobicContact CD-CD1 4.22Å; K605-L631 HydrophobicContact CG-CD1 3.76Å; R608-L631 HydrophobicContact CB-CD1 3.78Å; R608-L631 HydrophobicContact CB-CG 3.85Å; R608-L631 HydrophobicContact CG-CD1 3.77Å; R608-L631 HydrophobicContact CG-CG 4.02Å; W609-L631 PolarHBondContact O-N 3.42Å; W610-L631 CarbonylContact C-O 3.59Å; W610-L631 VanDerWaalsContact CA-O 3.32Å; W610-L631 WeakPolarHBondContact CA-O 3.34Å; W610-L631 HydrophobicContact CD2-CB 3.98Å; W610-L631 HydrophobicContact CD2-CD1 4.45Å; W610-L631 HydrophobicContact CE3-CB 3.76Å; W610-L631 HydrophobicContact CH2-CB 4.34Å; W610-L631 HydrophobicContact CH2-CD1 3.75Å; W610-L631 HydrophobicContact CZ2-CD1 3.6Å; W610-L631 HydrophobicContact CZ3-CB 3.94Å; W610-L631 HydrophobicContact CZ3-CD1 4.21Å; T611-L631 PolarHBondContact N-O 3.47Å; T611-L631 PolarHBondContact OG1-O 2.84Å; L631-D636 HydrophobicContact CB-CB 3.84Å; L631-D636 HydrophobicContact CD1-CB 4.36Å; L631-D636 HydrophobicContact CD2-CB 4.01Å; L631-D636 HydrophobicContact CG-CB 4.28Å
632	A	57.3	Low	55	Low	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	138.1	173	0	0	0	0	0	112	T611 T613 K614 C617 E634 T635 D636	T611-A632 CarbonylContact O-C 3.49Å; T611-A632 WeakPolarHBondContact O-CA 3.09Å; T613-A632 WeakPolarHBondContact O-CB 3.28Å; K614-A632 HydrophobicContact CB-CB 4.14Å; K614-A632 HydrophobicContact CD-CB 4.4Å; C617-A632 HydrophobicContact CB-CB 4.04Å; A632-E634 HydrophobicContact CB-CB 4.31Å; A632-E634 PolarHBondContact O-N 2.92Å; A632-T635 PolarHBondContact O-N 3.12Å; A632-T635 VanDerWaalsContact O-N 3.12Å; A632-D636 PolarHBondContact N-OD2 2.94Å; A632-D636 WeakPolarHBondContact O-CB 3.43Å; A632-D636 PolarHBondContact O-N 3.19Å
633	Y	52.7	Low	55.4	Low	70 Å²	70	52.5 Å²	52.5	28%	0.275	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.2	171.3	-60.3	-55.8	0	0	0	111.7	W610 T611 T635 L637 A646 F647	W610-Y633 HydrophobicContact CB-CD1 4.02Å; W610-Y633 HydrophobicContact CB-CD2 4.49Å; W610-Y633 HydrophobicContact CB-CE1 3.4Å; W610-Y633 VanDerWaalsContact CB-CE1 3.4Å; W610-Y633 HydrophobicContact CB-CE2 3.93Å; W610-Y633 HydrophobicContact CD2-CD1 4.1Å; W610-Y633 AromaticContact CD2-CE1 3.91Å; W610-Y633 HydrophobicContact CD2-CE1 3.91Å; W610-Y633 AromaticContact CE3-CD1 3.61Å; W610-Y633 HydrophobicContact CE3-CD1 3.61Å; W610-Y633 AromaticContact CE3-CE1 3.92Å; W610-Y633 HydrophobicContact CE3-CE1 3.92Å; W610-Y633 HydrophobicContact CE3-CG 4.42Å; W610-Y633 HydrophobicContact CG-CD1 4.32Å; W610-Y633 AromaticContact CG-CE1 3.74Å; W610-Y633 HydrophobicContact CG-CE1 3.74Å; W610-Y633 HydrophobicContact CZ3-CD1 4.34Å; T611-Y633 WeakPolarHBondContact O-CD2 3.45Å; T611-Y633 PolarHBondContact O-N 2.9Å; Y633-T635 PolarHBondContact O-N 3.4Å; Y633-L637 HydrophobicContact CD1-CD1 4.41Å; Y633-L637 HydrophobicContact CD1-CD2 4.02Å; Y633-A646 HydrophobicContact CE1-CB 4.39Å; Y633-F647 HydrophobicContact CD1-CE1 4.46Å; Y633-F647 AromaticContact CD1-CZ 3.89Å; Y633-F647 HydrophobicContact CD1-CZ 3.89Å; Y633-F647 AromaticContact CE1-CE1 3.54Å; Y633-F647 HydrophobicContact CE1-CE1 3.54Å; Y633-F647 HydrophobicContact CE1-CE2 4.37Å; Y633-F647 AromaticContact CE1-CZ 3.38Å; Y633-F647 HydrophobicContact CE1-CZ 3.38Å; Y633-F647 AromaticContact CZ-CE1 3.74Å; Y633-F647 AromaticContact CZ-CZ 3.99Å
634	E	56.1	Low	55.7	Low	34 Å²	34	46.4 Å²	46.4	16%	0.159	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-33.8	174.6	-169.2	-177.4	-162.7	0	0	114.9	P446 E612 T613 K614 A632	P446-E634 HydrophobicContact CB-CG 3.64Å; P446-E634 WeakPolarHBondContact CD-OE1 3.42Å; P446-E634 HydrophobicContact CG-CG 3.54Å; E612-E634 VanDerWaalsContact O-CB 3.29Å; E612-E634 WeakPolarHBondContact O-CB 3.2Å; E612-E634 PolarHBondContact O-N 2.88Å; E612-E634 VanDerWaalsContact O-N 3.08Å; T613-E634 WeakPolarHBondContact CA-OE2 3.33Å; T613-E634 WeakPolarHBondContact CB-OE2 3.3Å; K614-E634 PolarHBondContact N-OE2 2.87Å; A632-E634 HydrophobicContact CB-CB 4.31Å; A632-E634 PolarHBondContact O-N 2.92Å
635	T	70.8	Confident	56.3	Low	62 Å²	62	44.1 Å²	44.1	38%	0.38	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.1	-26.8	-166.7	47.8	0	0	0	0	115.7	K614 A632 Y633	K614-T635 HydrophobicContact CB-CG2 3.82Å; K614-T635 HydrophobicContact CG-CG2 4.16Å; A632-T635 PolarHBondContact O-N 3.12Å; A632-T635 VanDerWaalsContact O-N 3.12Å; Y633-T635 PolarHBondContact O-N 3.4Å
636	D	74.3	Confident	56.7	Low	34 Å²	34	43.6 Å²	43.6	18%	0.182	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-2.3	-169.3	-57.4	-88.9	0	0	0	112.6	K605 W610 L631 A632	K605-D636 WeakPolarHBondContact CD-O 3.16Å; K605-D636 WeakPolarHBondContact CE-O 3.38Å; K605-D636 PolarHBondContact NZ-O 3.01Å; W610-D636 HydrophobicContact CH2-CB 4.31Å; W610-D636 WeakPolarHBondContact CH2-O 3.47Å; W610-D636 HydrophobicContact CZ3-CB 3.87Å; L631-D636 HydrophobicContact CB-CB 3.84Å; L631-D636 HydrophobicContact CD1-CB 4.36Å; L631-D636 HydrophobicContact CD2-CB 4.01Å; L631-D636 HydrophobicContact CG-CB 4.28Å; A632-D636 PolarHBondContact N-OD2 2.94Å; A632-D636 WeakPolarHBondContact O-CB 3.43Å; A632-D636 PolarHBondContact O-N 3.19Å
637	L	61.9	Low	56.7	Low	16 Å²	16	45.6 Å²	45.6	8%	0.084	24%	0.24	C	C	.	.			trans	-101.3	78	179.4	-166.9	77.8	0	0	0	109.8	Y590 F592 W610 Y633 D642 A643 A646 F647	Y590-L637 HydrophobicContact CD1-CD2 4.34Å; F592-L637 HydrophobicContact CD2-CD2 3.79Å; F592-L637 HydrophobicContact CD2-CG 4.05Å; F592-L637 HydrophobicContact CE2-CB 4.48Å; F592-L637 HydrophobicContact CE2-CD2 3.52Å; F592-L637 HydrophobicContact CE2-CG 3.56Å; F592-L637 HydrophobicContact CZ-CG 4.31Å; F592-L637 VanDerWaalsContact CZ-O 3.32Å; F592-L637 WeakPolarHBondContact CZ-O 3.47Å; W610-L637 HydrophobicContact CH2-CB 4.37Å; W610-L637 HydrophobicContact CH2-CD1 3.9Å; W610-L637 HydrophobicContact CZ3-CB 3.85Å; W610-L637 HydrophobicContact CZ3-CD1 3.93Å; Y633-L637 HydrophobicContact CD1-CD1 4.41Å; Y633-L637 HydrophobicContact CD1-CD2 4.02Å; L637-D642 HydrophobicContact CD1-CB 4.24Å; L637-A643 HydrophobicContact CD1-CB 4.18Å; L637-A646 HydrophobicContact CD1-CB 3.94Å; L637-F647 HydrophobicContact CD1-CE2 4.09Å; L637-F647 HydrophobicContact CD2-CE2 4.01Å; L637-F647 HydrophobicContact CD2-CZ 4.29Å
638	E	69.1	Low	56.1	Low	114 Å²	114	45.1 Å²	45.1	53%	0.533	23%	0.231	S	C	.	.			trans	-96.5	-25.2	-165.2	-57	170.6	102.4	0	0	113.2	N450 K605 D642	N450-E638 PolarHBondContact ND2-O 3.47Å; K605-E638 IonicContact NZ-OE2 3.65Å; K605-E638 PolarHBondContact NZ-OE2 2.95Å; E638-D642 WeakPolarHBondContact CA-OD2 3.32Å; E638-D642 WeakPolarHBondContact CB-OD2 3.28Å; E638-D642 PolarHBondContact N-OD2 3.32Å
639	N	63.9	Low	55.1	Low	62 Å²	62	44.8 Å²	44.8	33%	0.332	24%	0.235	S	C	.	.	S	Bend	trans	-153.1	169.8	-171.6	61.3	73	0	0	0	112.6	F592 S641 D642 A643	F592-N639 VanDerWaalsContact CE1-C 3.46Å; F592-N639 VanDerWaalsContact CE1-CA 3.5Å; N639-S641 VanDerWaalsContact C-N 3.25Å; N639-S641 PolarHBondContact O-N 2.9Å; N639-S641 VanDerWaalsContact OD1-CA 3.31Å; N639-S641 WeakPolarHBondContact OD1-CA 3.48Å; N639-S641 WeakPolarHBondContact OD1-CB 3.5Å; N639-S641 PolarHBondContact OD1-N 3.38Å; N639-D642 PolarHBondContact N-OD2 3.38Å; N639-D642 PolarHBondContact ND2-OD1 3.48Å; N639-D642 PolarHBondContact ND2-OD2 2.92Å; N639-D642 WeakPolarHBondContact O-CB 3.07Å; N639-D642 PolarHBondContact O-N 3.28Å; N639-D642 PolarHBondContact OD1-N 3.32Å; N639-D642 PolarHBondContact OD1-OD1 3.22Å; N639-A643 PolarHBondContact O-N 2.93Å
640	D	59.2	Low	53.9	Low	62 Å²	62	44.6 Å²	44.6	33%	0.332	23%	0.234	S	C	.	.	H	α-helix	trans	-56.3	-35.7	178.5	-69.1	-56.9	0	0	0	113.5	F592 D593 T599 D642 A643 V644	F592-D640 VanDerWaalsContact CA-OD1 3.27Å; F592-D640 WeakPolarHBondContact CA-OD1 3.31Å; D593-D640 PolarHBondContact N-OD1 3.11Å; D593-D640 VanDerWaalsContact N-OD1 3.12Å; T599-D640 HydrophobicContact CG2-CB 3.98Å; D640-D642 VanDerWaalsContact C-N 3.31Å; D640-D642 PolarHBondContact O-N 3.43Å; D640-A643 CarbonylContact O-C 3.54Å; D640-A643 PolarHBondContact O-N 2.93Å; D640-V644 WeakPolarHBondContact O-CB 3.15Å; D640-V644 VanDerWaalsContact O-CG2 3.29Å; D640-V644 WeakPolarHBondContact O-CG2 3.2Å; D640-V644 PolarHBondContact O-N 2.81Å
641	S	58.5	Low	52.7	Low	27 Å²	27	51.8 Å²	51.8	19%	0.189	27%	0.267	C	S	.	.	H	α-helix	trans	-67.7	-31.2	177.5	161.7	0	0	0	0	111.6	A600 P601 T602 N639 A645	A600-S641 WeakPolarHBondContact O-CA 3.39Å; A600-S641 WeakPolarHBondContact O-CB 3.47Å; A600-S641 PolarHBondContact O-OG 2.98Å; A600-S641 VanDerWaalsContact O-OG 3.05Å; P601-S641 CarbonylContact C-O 3.58Å; P601-S641 WeakPolarHBondContact CA-O 3.46Å; T602-S641 WeakPolarHBondContact CA-OG 3.4Å; T602-S641 PolarHBondContact N-O 2.83Å; T602-S641 PolarHBondContact N-OG 3.15Å; T602-S641 VanDerWaalsContact OG1-C 3.26Å; T602-S641 PolarHBondContact OG1-O 2.87Å; T602-S641 PolarHBondContact OG1-OG 2.98Å; N639-S641 VanDerWaalsContact C-N 3.25Å; N639-S641 PolarHBondContact O-N 2.9Å; N639-S641 VanDerWaalsContact OD1-CA 3.31Å; N639-S641 WeakPolarHBondContact OD1-CA 3.48Å; N639-S641 WeakPolarHBondContact OD1-CB 3.5Å; N639-S641 PolarHBondContact OD1-N 3.38Å; S641-A645 WeakPolarHBondContact O-CB 3.46Å; S641-A645 PolarHBondContact O-N 2.85Å
642	D	59.8	Low	51.2	Low	1 Å²	1	55.9 Å²	55.9	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-71.7	-40.9	169.8	-57.2	-23.8	0	0	0	111.7	T602 K605 L637 E638 N639 D640 A645 A646	T602-D642 WeakPolarHBondContact CB-OD1 3.27Å; T602-D642 WeakPolarHBondContact CG2-OD1 3.46Å; T602-D642 PolarHBondContact OG1-N 3.01Å; T602-D642 PolarHBondContact OG1-OD1 2.99Å; K605-D642 HydrophobicContact CD-CB 4.18Å; K605-D642 WeakPolarHBondContact CD-OD1 3.37Å; K605-D642 IonicContact NZ-OD1 2.77Å; K605-D642 PolarHBondContact NZ-OD1 3.17Å; K605-D642 IonicContact NZ-OD2 3.25Å; K605-D642 PolarHBondContact NZ-OD2 3.17Å; L637-D642 HydrophobicContact CD1-CB 4.24Å; E638-D642 WeakPolarHBondContact CA-OD2 3.32Å; E638-D642 WeakPolarHBondContact CB-OD2 3.28Å; E638-D642 PolarHBondContact N-OD2 3.32Å; N639-D642 PolarHBondContact N-OD2 3.38Å; N639-D642 PolarHBondContact ND2-OD1 3.48Å; N639-D642 PolarHBondContact ND2-OD2 2.92Å; N639-D642 WeakPolarHBondContact O-CB 3.07Å; N639-D642 PolarHBondContact O-N 3.28Å; N639-D642 PolarHBondContact OD1-N 3.32Å; N639-D642 PolarHBondContact OD1-OD1 3.22Å; D640-D642 VanDerWaalsContact C-N 3.31Å; D640-D642 PolarHBondContact O-N 3.43Å; D642-A645 CarbonylContact O-C 3.59Å; D642-A645 WeakPolarHBondContact O-CA 3.35Å; D642-A645 WeakPolarHBondContact O-CB 3.41Å; D642-A645 PolarHBondContact O-N 3.05Å; D642-A645 VanDerWaalsContact O-N 3.14Å; D642-A646 WeakPolarHBondContact O-CB 3.49Å; D642-A646 PolarHBondContact O-N 3.02Å
643	A	54.9	Low	49.5	Very low	1 Å²	1	59.5 Å²	59.5	1%	0.008	31%	0.313	C	S	.	.	H	α-helix	trans	-68.1	-36.4	177.6	0	0	0	0	0	112.5	F592 I594 L637 N639 D640 A645 A646 F647	F592-A643 HydrophobicContact CB-CB 3.4Å; F592-A643 VanDerWaalsContact CB-CB 3.4Å; F592-A643 HydrophobicContact CD1-CB 4.25Å; F592-A643 HydrophobicContact CD2-CB 3.86Å; F592-A643 HydrophobicContact CG-CB 3.56Å; I594-A643 HydrophobicContact CG1-CB 4.47Å; L637-A643 HydrophobicContact CD1-CB 4.18Å; N639-A643 PolarHBondContact O-N 2.93Å; D640-A643 CarbonylContact O-C 3.54Å; D640-A643 PolarHBondContact O-N 2.93Å; A643-A645 VanDerWaalsContact C-N 3.33Å; A643-A646 PolarHBondContact O-N 3.08Å; A643-F647 HydrophobicContact CB-CD2 4.04Å; A643-F647 HydrophobicContact CB-CE2 4.29Å; A643-F647 WeakPolarHBondContact O-CB 3.35Å; A643-F647 VanDerWaalsContact O-CD2 3.26Å; A643-F647 WeakPolarHBondContact O-CD2 3.46Å; A643-F647 PolarHBondContact O-N 3.03Å
644	V	50.4	Low	48	Very low	3 Å²	3	66.2 Å²	66.2	2%	0.018	34%	0.338	C	S	.	.	H	α-helix	trans	-63.2	-40.4	168.3	170.9	0	0	0	0	110.2	P601 D640 A646 Q648 L650	P601-V644 HydrophobicContact CB-CG1 3.98Å; D640-V644 WeakPolarHBondContact O-CB 3.15Å; D640-V644 VanDerWaalsContact O-CG2 3.29Å; D640-V644 WeakPolarHBondContact O-CG2 3.2Å; D640-V644 PolarHBondContact O-N 2.81Å; V644-A646 VanDerWaalsContact C-N 3.3Å; V644-A646 PolarHBondContact O-N 2.8Å; V644-Q648 HydrophobicContact CB-CB 4.3Å; V644-Q648 HydrophobicContact CG1-CB 3.81Å; V644-Q648 WeakPolarHBondContact O-CA 3.39Å; V644-Q648 VanDerWaalsContact O-CB 3.24Å; V644-Q648 WeakPolarHBondContact O-CB 3.43Å; V644-Q648 PolarHBondContact O-N 3.28Å; V644-L650 HydrophobicContact CG1-CD1 4.14Å
645	A	50.8	Low	46.4	Very low	10 Å²	10	68.3 Å²	68.3	8%	0.083	36%	0.356	C	S	.	.	H	α-helix	trans	-69.4	-21.6	175.2	0	0	0	0	0	114.9	P601 K605 S641 D642 A643	P601-A645 HydrophobicContact CB-CB 3.92Å; K605-A645 HydrophobicContact CB-CB 4.43Å; S641-A645 WeakPolarHBondContact O-CB 3.46Å; S641-A645 PolarHBondContact O-N 2.85Å; D642-A645 CarbonylContact O-C 3.59Å; D642-A645 WeakPolarHBondContact O-CA 3.35Å; D642-A645 WeakPolarHBondContact O-CB 3.41Å; D642-A645 PolarHBondContact O-N 3.05Å; D642-A645 VanDerWaalsContact O-N 3.14Å; A643-A645 VanDerWaalsContact C-N 3.33Å
646	A	47.4	Very low	44	Very low	25 Å²	25	69.4 Å²	69.4	21%	0.207	37%	0.366	C	S	.	.	H	α-helix	trans	-93.4	-41.9	179.7	0	0	0	0	0	113.4	W610 Y633 L637 D642 A643 V644	W610-A646 HydrophobicContact CD2-CB 4.02Å; W610-A646 VanDerWaalsContact CE2-CB 3.48Å; W610-A646 HydrophobicContact CG-CB 4.38Å; W610-A646 HydrophobicContact CH2-CB 4.35Å; W610-A646 HydrophobicContact CZ2-CB 3.67Å; Y633-A646 HydrophobicContact CE1-CB 4.39Å; L637-A646 HydrophobicContact CD1-CB 3.94Å; D642-A646 WeakPolarHBondContact O-CB 3.49Å; D642-A646 PolarHBondContact O-N 3.02Å; A643-A646 PolarHBondContact O-N 3.08Å; V644-A646 VanDerWaalsContact C-N 3.3Å; V644-A646 PolarHBondContact O-N 2.8Å
647	F	41.7	Very low	41.8	Very low	91 Å²	91	73.8 Å²	73.8	40%	0.399	40%	0.396	S	S	.	.	H	α-helix	trans	-117.5	-24.9	-167.6	-54.5	-64.2	0	0	0	114.3	I594 Y633 L637 A643	I594-F647 HydrophobicContact CD1-CB 3.63Å; I594-F647 HydrophobicContact CD1-CD2 3.68Å; I594-F647 HydrophobicContact CD1-CG 3.9Å; I594-F647 HydrophobicContact CG1-CB 4.26Å; I594-F647 HydrophobicContact CG1-CD2 4.34Å; I594-F647 HydrophobicContact CG2-CB 4.49Å; Y633-F647 HydrophobicContact CD1-CE1 4.46Å; Y633-F647 AromaticContact CD1-CZ 3.89Å; Y633-F647 HydrophobicContact CD1-CZ 3.89Å; Y633-F647 AromaticContact CE1-CE1 3.54Å; Y633-F647 HydrophobicContact CE1-CE1 3.54Å; Y633-F647 HydrophobicContact CE1-CE2 4.37Å; Y633-F647 AromaticContact CE1-CZ 3.38Å; Y633-F647 HydrophobicContact CE1-CZ 3.38Å; Y633-F647 AromaticContact CZ-CE1 3.74Å; Y633-F647 AromaticContact CZ-CZ 3.99Å; L637-F647 HydrophobicContact CD1-CE2 4.09Å; L637-F647 HydrophobicContact CD2-CE2 4.01Å; L637-F647 HydrophobicContact CD2-CZ 4.29Å; A643-F647 HydrophobicContact CB-CD2 4.04Å; A643-F647 HydrophobicContact CB-CE2 4.29Å; A643-F647 WeakPolarHBondContact O-CB 3.35Å; A643-F647 VanDerWaalsContact O-CD2 3.26Å; A643-F647 WeakPolarHBondContact O-CD2 3.46Å; A643-F647 PolarHBondContact O-N 3.03Å
648	Q	38.1	Very low	40	Very low	75 Å²	75	80.1 Å²	80.1	35%	0.35	43%	0.425	S	S	.	.	S	Bend	trans	-86.6	124.2	178.9	-148.7	-177.4	72.3	0	0	109.8	I594 V644 L650	I594-Q648 HydrophobicContact CG2-CB 3.87Å; I594-Q648 HydrophobicContact CG2-CG 4.01Å; I594-Q648 PolarHBondContact O-NE2 3.07Å; V644-Q648 HydrophobicContact CB-CB 4.3Å; V644-Q648 HydrophobicContact CG1-CB 3.81Å; V644-Q648 WeakPolarHBondContact O-CA 3.39Å; V644-Q648 VanDerWaalsContact O-CB 3.24Å; V644-Q648 WeakPolarHBondContact O-CB 3.43Å; V644-Q648 PolarHBondContact O-N 3.28Å; Q648-L650 VanDerWaalsContact C-N 3.33Å; Q648-L650 PolarHBondContact O-N 3.3Å
649	P	34.5	Very low	37.8	Very low	111 Å²	111	81.7 Å²	81.7	72%	0.721	43%	0.434	S	S	*	.			trans	-76.5	82.7	-177.2	31	-35.5	0	0	0	111	F651	P649-F651 PolarHBondContact O-N 3.36Å
650	L	25.9	Very low	35.9	Very low	70 Å²	70	85.8 Å²	85.8	37%	0.366	45%	0.445	S	S	.	.			trans	-61.8	134.1	170.8	-84.8	114.3	0	0	0	111.4	P601 V644 Q648 L652	P601-L650 HydrophobicContact CB-CD1 3.57Å; P601-L650 HydrophobicContact CG-CD1 3.52Å; P601-L650 HydrophobicContact CG-CD2 3.65Å; P601-L650 HydrophobicContact CG-CG 4.21Å; V644-L650 HydrophobicContact CG1-CD1 4.14Å; Q648-L650 VanDerWaalsContact C-N 3.33Å; Q648-L650 PolarHBondContact O-N 3.3Å; L650-L652 HydrophobicContact CB-CD1 4.31Å; L650-L652 HydrophobicContact CB-CG 4.28Å; L650-L652 PolarHBondContact O-N 3.34Å
651	F	25.1	Very low	34.2	Very low	198 Å²	198	88.9 Å²	88.9	87%	0.868	47%	0.467	S	S	*	.			trans	-69.8	51	170.1	-82.2	-100.1	0	0	0	112.2	P649 C653	P649-F651 PolarHBondContact O-N 3.36Å; F651-C653 PolarHBondContact O-N 3.3Å; F651-C653 PolarHBondContact O-SG 2.79Å
652	L	22.3	Very low	32.4	Very low	107 Å²	107	96.4 Å²	96.4	56%	0.56	49%	0.491	S	S	*	.			trans	-75.7	79.1	168.6	-81.3	166.9	0	0	0	108.9	C606 L650 R654	C606-L652 HydrophobicContact CB-CD1 4.09Å; L650-L652 HydrophobicContact CB-CD1 4.31Å; L650-L652 HydrophobicContact CB-CG 4.28Å; L650-L652 PolarHBondContact O-N 3.34Å; L652-R654 PolarHBondContact O-N 2.91Å
653	C	22	Very low	30.6	Very low	77 Å²	77	102.8 Å²	102.8	52%	0.52	53%	0.53	S	S	.	.			trans	-51.6	101.6	-177.6	-54.6	0	0	0	0	110.9	F651 S655 R660	F651-C653 PolarHBondContact O-N 3.3Å; F651-C653 PolarHBondContact O-SG 2.79Å; C653-S655 PolarHBondContact O-N 3.47Å; C653-R660 PolarHBondContact O-NH1 3.41Å; C653-R660 PolarHBondContact O-NH2 2.91Å
654	R	21.3	Very low	29	Very low	210 Å²	210	105.5 Å²	105.5	79%	0.792	55%	0.553	S	S	*	*			trans	-74.2	78.7	-172.1	-75.9	-175.6	168.6	-176.7	-4.9	112.5	G607 L652	G607-R654 PolarHBondContact O-NH2 2.82Å; L652-R654 PolarHBondContact O-N 2.91Å
655	S	22	Very low	27.6	Very low	79 Å²	79	114.3 Å²	114.3	55%	0.552	59%	0.594	S	S	*	*	S	Bend	trans	-119.7	89.7	163.6	74.8	0	0	0	0	110.1	C653 R660	C653-S655 PolarHBondContact O-N 3.47Å; S655-R660 PolarHBondContact OG-NH2 2.9Å
656	S	22.1	Very low	26.2	Very low	84 Å²	84	124.4 Å²	124.4	59%	0.587	63%	0.63	S	S	*	*			trans	45.1	103.8	175.4	-164.2	0	0	0	0	116.7	H658	S656-H658 PolarHBondContact O-N 3.16Å
657	P	26.9	Very low	25.1	Very low	126 Å²	126	126.2 Å²	126.2	82%	0.818	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	0.3	-172.1	-27.3	36.4	0	0	0	119
658	H	25.3	Very low	24.3	Very low	149 Å²	149	129.4 Å²	129.4	69%	0.69	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	2.7	-164.7	-66.5	-57.2	0	0	0	117.1	S656	S656-H658 PolarHBondContact O-N 3.16Å
659	M	21.9	Very low	23.9	Very low	147 Å²	147	133.2 Å²	133.2	72%	0.724	68%	0.683	S	S	*	*	S	Bend	trans	-136.4	11.5	-175.3	-61.6	-162.4	78	0	0	116.7
660	R	24.3	Very low	23.5	Very low	149 Å²	149	134.5 Å²	134.5	56%	0.562	68%	0.677	S	S	*	*	S	Bend	trans	-87.2	-6.1	-171.8	-80.8	-164	179.5	157.5	5.9	117.6	C653 S655	C653-R660 PolarHBondContact O-NH1 3.41Å; C653-R660 PolarHBondContact O-NH2 2.91Å; S655-R660 PolarHBondContact OG-NH2 2.9Å
661	T	22.8	Very low	23.4	Very low	127 Å²	127	139.2 Å²	139.2	78%	0.779	70%	0.703	S	S	*	*	S	Bend	trans	-134.6	11.7	173.4	49.8	0	0	0	0	112.8
662	W	21	Very low	23.4	Very low	184 Å²	184	137.8 Å²	137.8	70%	0.697	69%	0.692	S	S	*	*			trans	-114.4	92.8	-169.9	-75.3	34.1	0	0	0	110.8	A664	W662-A664 PolarHBondContact O-N 2.86Å
663	T	21.9	Very low	23.5	Very low	135 Å²	135	138 Å²	138	83%	0.828	70%	0.697	S	S	*	*			trans	-76.5	68.9	171	44.4	0	0	0	0	111.3	E665	T663-E665 PolarHBondContact O-N 2.75Å
664	A	20.8	Very low	23.5	Very low	58 Å²	58	138.4 Å²	138.4	48%	0.479	70%	0.697	S	S	.	*			trans	-78.7	95.7	176	0	0	0	0	0	111.1	W662 W666	W662-A664 PolarHBondContact O-N 2.86Å; A664-W666 PolarHBondContact O-N 3.09Å
665	E	21.5	Very low	23.6	Very low	188 Å²	188	134.3 Å²	134.3	88%	0.879	69%	0.691	S	S	*	*			trans	-70	92.7	172	-76.9	-153.1	132.9	0	0	111.8	T663 S667	T663-E665 PolarHBondContact O-N 2.75Å; E665-S667 VanDerWaalsContact C-N 3.32Å; E665-S667 PolarHBondContact O-N 3.33Å
666	W	21.1	Very low	23.8	Very low	223 Å²	223	136.4 Å²	136.4	85%	0.845	70%	0.7	S	S	*	*			trans	-73.7	82	171.8	-84.8	71.6	0	0	0	111.7	A664 I668	A664-W666 PolarHBondContact O-N 3.09Å; W666-I668 PolarHBondContact O-N 3.36Å
667	S	24.3	Very low	24.2	Very low	62 Å²	62	141.7 Å²	141.7	43%	0.434	72%	0.715	S	S	.	*			trans	-80.4	111.6	170.5	-172.5	0	0	0	0	111	E665 N669 K670	E665-S667 VanDerWaalsContact C-N 3.32Å; E665-S667 PolarHBondContact O-N 3.33Å; S667-N669 PolarHBondContact O-N 3.25Å; S667-K670 PolarHBondContact O-N 3.07Å
668	I	26	Very low	24.1	Very low	159 Å²	159	141.2 Å²	141.2	82%	0.815	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.7	-26.3	178.6	-64.9	172.4	0	0	0	112.7	W666 K670	W666-I668 PolarHBondContact O-N 3.36Å; I668-K670 VanDerWaalsContact C-N 3.29Å; I668-K670 PolarHBondContact O-N 3.49Å
669	N	29.9	Very low	24.3	Very low	154 Å²	154	141.2 Å²	141.2	82%	0.824	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	5.4	-179.7	-71.8	-5.2	0	0	0	114.4	S667	S667-N669 PolarHBondContact O-N 3.25Å
670	K	24.3	Very low	24.4	Very low	139 Å²	139	140.1 Å²	140.1	60%	0.604	71%	0.712	S	S	*	*			trans	-132.2	103.2	178.8	-68.5	-176.4	179.4	178.8	0	111.7	S667 I668 R672	S667-K670 PolarHBondContact O-N 3.07Å; I668-K670 VanDerWaalsContact C-N 3.29Å; I668-K670 PolarHBondContact O-N 3.49Å; K670-R672 PolarHBondContact O-N 3.38Å
671	N	25.4	Very low	24.4	Very low	169 Å²	169	138.6 Å²	138.6	90%	0.904	72%	0.719	S	S	*	*	S	Bend	trans	-73.6	38.1	170	-69.6	-7.1	0	0	0	112.9
672	R	24.1	Very low	24.5	Very low	168 Å²	168	139.8 Å²	139.8	63%	0.634	72%	0.716	S	S	*	*	S	Bend	trans	-145.2	123.2	175.7	-88.2	-174.3	165.6	-177	-3.7	108.3	K670 T674 E682	K670-R672 PolarHBondContact O-N 3.38Å; R672-T674 PolarHBondContact O-N 3.33Å; R672-E682 IonicContact CZ-OE1 3.13Å; R672-E682 IonicContact NE-OE1 2.74Å; R672-E682 IonicContact NH2-OE1 3.42Å; R672-E682 PolarHBondContact NH2-OE1 2.89Å
673	V	24.8	Very low	24.7	Very low	112 Å²	112	141.5 Å²	141.5	68%	0.679	72%	0.722	S	S	*	*			trans	-81.7	101.8	170.4	-179.6	0	0	0	0	107.8
674	T	22.4	Very low	24.8	Very low	84 Å²	84	140.5 Å²	140.5	52%	0.515	72%	0.721	S	S	.	*			trans	-85	118.3	171.6	43.9	0	0	0	0	109.8	R672	R672-T674 PolarHBondContact O-N 3.33Å
675	L	23.7	Very low	25.2	Very low	125 Å²	125	143.5 Å²	143.5	65%	0.654	74%	0.735	S	S	*	*			trans	-85.8	109.5	172.5	-69.9	168.8	0	0	0	108.7	E677	L675-E677 PolarHBondContact O-N 3.29Å
676	T	25.2	Very low	25.2	Very low	122 Å²	122	142.7 Å²	142.7	75%	0.748	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	130.6	174.9	46.6	0	0	0	0	110.5
677	E	30.4	Very low	25.3	Very low	195 Å²	195	140 Å²	140	91%	0.911	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	92.5	-0.9	175.6	-52.4	-166	150.8	0	0	119.2	L675	L675-E677 PolarHBondContact O-N 3.29Å
678	V	25.6	Very low	25.3	Very low	116 Å²	116	144.2 Å²	144.2	70%	0.703	75%	0.752	S	S	*	*	S	Bend	trans	-139.6	137.7	166.6	-172.1	0	0	0	0	110.8
679	D	28.1	Very low	25.2	Very low	149 Å²	149	144.2 Å²	144.2	80%	0.797	75%	0.753	S	S	*	*			trans	-53	143.6	-172.2	-66	-66.1	0	0	0	115	V681	D679-V681 PolarHBondContact O-N 3.25Å
680	D	25.6	Very low	24.9	Very low	125 Å²	125	140.9 Å²	140.9	67%	0.668	76%	0.755	S	S	*	*			trans	-59.8	101.4	-173.2	-79.4	-44.3	0	0	0	113.5	E682	D680-E682 PolarHBondContact O-N 3.26Å
681	V	23.8	Very low	24.7	Very low	117 Å²	117	138.3 Å²	138.3	71%	0.709	77%	0.769	S	S	*	*			trans	-89.3	94.1	170.7	-176.6	0	0	0	0	110.5	D679	D679-V681 PolarHBondContact O-N 3.25Å
682	E	25.5	Very low	24.6	Very low	151 Å²	151	134.1 Å²	134.1	71%	0.706	77%	0.765	S	S	*	*			trans	-64.9	134.2	176.8	-149.3	167.4	-142.5	0	0	111.6	R672 D680	R672-E682 IonicContact CZ-OE1 3.13Å; R672-E682 IonicContact NE-OE1 2.74Å; R672-E682 IonicContact NH2-OE1 3.42Å; R672-E682 PolarHBondContact NH2-OE1 2.89Å; D680-E682 PolarHBondContact O-N 3.26Å
683	R	23.9	Very low	24.6	Very low	221 Å²	221	134.6 Å²	134.6	83%	0.834	77%	0.774	S	S	*	*			trans	-134.3	130.8	178	-71.6	-169.9	176.7	-166.9	0.2	111.6
684	S	25.4	Very low	24.5	Very low	113 Å²	113	136.3 Å²	136.3	79%	0.79	78%	0.78	S	S	*	*			trans	-67	137.4	-178.6	-48.2	0	0	0	0	112.3
685	P	27.8	Very low	24.6	Very low	122 Å²	122	139.9 Å²	139.9	79%	0.792	80%	0.795	S	S	*	*			trans	-68.5	133.2	177.7	27.8	-34.2	0	0	0	111.5	L687	P685-L687 PolarHBondContact O-N 3.21Å
686	M	21.9	Very low	24.5	Very low	171 Å²	171	139.3 Å²	139.3	84%	0.842	79%	0.792	S	S	*	*			trans	-78.3	110.2	178.5	-70.5	-179.8	67.6	0	0	111.4
687	L	23.8	Very low	24.3	Very low	165 Å²	165	136.9 Å²	136.9	86%	0.864	78%	0.779	S	S	*	*			trans	-76.9	131.2	162.9	-76.5	158.9	0	0	0	109.4	P685	P685-L687 PolarHBondContact O-N 3.21Å
688	L	24.9	Very low	23.8	Very low	151 Å²	151	132.3 Å²	132.3	79%	0.791	76%	0.761	S	S	*	*			trans	-128.5	104.8	179.6	-145.9	110.4	0	0	0	110.1	G690	L688-G690 PolarHBondContact O-N 2.63Å
689	N	23.5	Very low	23.7	Very low	159 Å²	159	136.9 Å²	136.9	85%	0.85	77%	0.767	S	S	*	*			trans	-80.2	113.1	-179	-72.8	-29.6	0	0	0	110.7
690	G	23.1	Very low	23.5	Very low	84 Å²	84	135.3 Å²	135.3	87%	0.866	77%	0.768	S	S	*	*			trans	-81.5	122.3	170.3	0	0	0	0	0	111.6	L688	L688-G690 PolarHBondContact O-N 2.63Å
691	G	20.8	Very low	23.4	Very low	86 Å²	86	134.5 Å²	134.5	89%	0.887	77%	0.767	S	S	*	*			trans	-165.2	93	177.3	0	0	0	0	0	111.3
692	G	22.5	Very low	23.3	Very low	80 Å²	80	139.2 Å²	139.2	83%	0.825	77%	0.772	S	S	*	*			trans	174.7	72.5	-173.5	0	0	0	0	0	112.3
693	Q	23.4	Very low	23.3	Very low	178 Å²	178	137.7 Å²	137.7	83%	0.832	77%	0.774	S	S	*	*			trans	-72.1	158.7	169.8	-71	173.8	-27.7	0	0	110.8
694	N	23.5	Very low	23.2	Very low	149 Å²	149	130.1 Å²	130.1	80%	0.797	76%	0.764	S	S	*	*			trans	71.5	95.6	175	-48.7	-38.4	0	0	0	116.3
695	L	23.5	Very low	23.1	Very low	158 Å²	158	131 Å²	131	83%	0.827	75%	0.754	S	S	*	*				-171.8	94.1	118.7	-100.1	159.1	0	0	0	110.6	C697	L695-C697 VanDerWaalsContact C-N 3.3Å; L695-C697 PolarHBondContact O-N 3.26Å; L695-C697 VanDerWaalsContact O-N 3.1Å
696	L	21.5	Very low	22.9	Very low	113 Å²	113	131.6 Å²	131.6	59%	0.592	75%	0.746	S	S	*	*			trans	-82.3	71.5	173.1	-87.9	165.2	0	0	0	110.8	V426 L428	V426-L696 HydrophobicContact CB-CD1 4.37Å; V426-L696 HydrophobicContact CG1-CD1 4.37Å; L428-L696 HydrophobicContact CD1-CB 4.32Å; L428-L696 HydrophobicContact CD1-CD2 3.72Å; L428-L696 HydrophobicContact CG-CD2 4.42Å
697	C	21.7	Very low	23.1	Very low	72 Å²	72	130.9 Å²	130.9	49%	0.486	75%	0.745	S	S	.	*	S	Bend	trans	-138.4	139.7	164.9	-74.5	0	0	0	0	110.5	L695 Y699	L695-C697 VanDerWaalsContact C-N 3.3Å; L695-C697 PolarHBondContact O-N 3.26Å; L695-C697 VanDerWaalsContact O-N 3.1Å; C697-Y699 WeakPolarHBondContact O-CD2 3.08Å
698	D	20.9	Very low	23.1	Very low	99 Å²	99	127.9 Å²	127.9	53%	0.529	73%	0.726	S	S	.	*			trans	58	58.3	144.5	-51.1	18.9	0	0	0	117.9	F431	F431-D698 HydrophobicContact CE2-CB 4.37Å; F431-D698 WeakPolarHBondContact CE2-OD1 3.16Å; F431-D698 HydrophobicContact CZ-CB 4.18Å; F431-D698 WeakPolarHBondContact CZ-OD1 3.48Å; F431-D698 WeakPolarHBondContact CZ-OD2 3.17Å
699	Y	22.2	Very low	23.1	Very low	211 Å²	211	129.3 Å²	129.3	83%	0.827	72%	0.721	S	S	*	*			trans	-119.3	118.8	170.9	-92.1	-84	0	0	0	115.2	C697	C697-Y699 WeakPolarHBondContact O-CD2 3.08Å
700	S	23.4	Very low	23.3	Very low	116 Å²	116	125.8 Å²	125.8	81%	0.811	71%	0.705	S	S	*	*			trans	-82.3	140.2	155.1	55.2	0	0	0	0	109.6
701	V	23.4	Very low	23.4	Very low	108 Å²	108	123.2 Å²	123.2	66%	0.655	68%	0.678	S	S	*	*			trans	-115	116.1	-173	179	0	0	0	0	111.3	F705	V701-F705 HydrophobicContact CG1-CD2 4.21Å
702	R	22.4	Very low	23.5	Very low	216 Å²	216	124.5 Å²	124.5	82%	0.815	67%	0.665	S	S	*	*			trans	-83.5	122.2	168.6	-72.5	178.6	170.3	176.2	-4.2	110.6	G704	R702-G704 VanDerWaalsContact C-N 3.26Å; R702-G704 PolarHBondContact O-N 3.03Å
703	T	25.6	Very low	23.8	Very low	120 Å²	120	125 Å²	125	74%	0.736	66%	0.661	S	S	*	*	S	Bend	trans	47.6	-11	147.2	48.7	0	0	0	0	123	F705	T703-F705 PolarHBondContact O-N 2.95Å
704	G	21.4	Very low	23.9	Very low	62 Å²	62	121.9 Å²	121.9	64%	0.639	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-20.7	-169	0	0	0	0	0	117.4	R702 H706	R702-G704 VanDerWaalsContact C-N 3.26Å; R702-G704 PolarHBondContact O-N 3.03Å; G704-H706 PolarHBondContact O-N 3.06Å
705	F	23.3	Very low	23.9	Very low	130 Å²	130	117.2 Å²	117.2	57%	0.57	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	19	-160.1	-80.7	-93.8	0	0	0	116.4	V701 T703 L707 H708 R709	V701-F705 HydrophobicContact CG1-CD2 4.21Å; T703-F705 PolarHBondContact O-N 2.95Å; F705-L707 PolarHBondContact O-N 3.4Å; F705-H708 HydrophobicContact CB-CB 4.45Å; F705-H708 HydrophobicContact CD1-CB 3.73Å; F705-H708 AromaticContact CD1-CD2 4Å; F705-H708 PolarHBondContact O-N 2.96Å; F705-H708 VanDerWaalsContact O-N 3.15Å; F705-R709 PolarHBondContact O-N 2.82Å
706	H	25.1	Very low	24	Very low	135 Å²	135	117.1 Å²	117.1	63%	0.625	63%	0.63	S	S	*	*	H	α-helix	trans	-65	-36.8	-179	-116.4	-70.6	0	0	0	113.8	G704 H708 R709 V710	G704-H706 PolarHBondContact O-N 3.06Å; H706-H708 VanDerWaalsContact C-N 3.32Å; H706-H708 PolarHBondContact O-N 3.19Å; H706-R709 PolarHBondContact O-N 2.87Å; H706-V710 PolarHBondContact O-N 3.02Å; H706-V710 VanDerWaalsContact O-N 3.12Å
707	L	24.9	Very low	24.1	Very low	156 Å²	156	122.3 Å²	122.3	82%	0.817	64%	0.643	S	S	*	*	H	α-helix	trans	-61.9	-39.4	171.5	-99	81.8	0	0	0	112	F705 V710 G711	F705-L707 PolarHBondContact O-N 3.4Å; L707-V710 WeakPolarHBondContact O-CB 3.02Å; L707-V710 PolarHBondContact O-N 3.26Å; L707-G711 PolarHBondContact O-N 3.48Å
708	H	24.9	Very low	24.6	Very low	103 Å²	103	122.4 Å²	122.4	48%	0.477	64%	0.637	S	S	.	*	H	α-helix	trans	-73.7	-30	-179.2	-152.8	-41.4	0	0	0	112.3	F705 H706 G711 N712	F705-H708 HydrophobicContact CB-CB 4.45Å; F705-H708 HydrophobicContact CD1-CB 3.73Å; F705-H708 AromaticContact CD1-CD2 4Å; F705-H708 PolarHBondContact O-N 2.96Å; F705-H708 VanDerWaalsContact O-N 3.15Å; H706-H708 VanDerWaalsContact C-N 3.32Å; H706-H708 PolarHBondContact O-N 3.19Å; H708-G711 PolarHBondContact O-N 3.08Å; H708-N712 PolarHBondContact CE1-OD1 3.1Å; H708-N712 PolarHBondContact ND1-OD1 3.32Å; H708-N712 WeakPolarHBondContact O-CB 3.2Å; H708-N712 PolarHBondContact O-N 2.92Å; H708-N712 PolarHBondContact O-OD1 3.04Å
709	R	24.9	Very low	25.1	Very low	181 Å²	181	121.3 Å²	121.3	68%	0.683	64%	0.635	S	S	*	*	H	α-helix	trans	-63.8	-39.9	167.9	-77.9	-174.9	170.1	-173.2	-4.7	111.6	F705 H706 A713	F705-R709 PolarHBondContact O-N 2.82Å; H706-R709 PolarHBondContact O-N 2.87Å; R709-A713 WeakPolarHBondContact O-CB 3.28Å; R709-A713 PolarHBondContact O-N 3.24Å
710	V	27.4	Very low	25.4	Very low	84 Å²	84	115.7 Å²	115.7	51%	0.509	62%	0.619	S	S	.	*	H	α-helix	trans	-64.7	-46.5	172.3	174.1	0	0	0	0	110.7	H706 L707 N712 A713 L714	H706-V710 PolarHBondContact O-N 3.02Å; H706-V710 VanDerWaalsContact O-N 3.12Å; L707-V710 WeakPolarHBondContact O-CB 3.02Å; L707-V710 PolarHBondContact O-N 3.26Å; V710-N712 PolarHBondContact O-N 2.95Å; V710-A713 PolarHBondContact O-N 3.24Å; V710-L714 HydrophobicContact CG1-CD1 3.8Å; V710-L714 HydrophobicContact CG1-CG 4.43Å; V710-L714 WeakPolarHBondContact O-CB 3.47Å; V710-L714 VanDerWaalsContact O-CG 3.24Å; V710-L714 WeakPolarHBondContact O-CG 3.17Å; V710-L714 PolarHBondContact O-N 3.35Å
711	G	24.8	Very low	25.6	Very low	30 Å²	30	112.5 Å²	112.5	31%	0.309	61%	0.605	S	S	.	*	H	α-helix	trans	-57	-44.7	176.4	0	0	0	0	0	113.8	L707 H708 L714	L707-G711 PolarHBondContact O-N 3.48Å; H708-G711 PolarHBondContact O-N 3.08Å; G711-L714 PolarHBondContact O-N 3Å
712	N	23.7	Very low	25.6	Very low	114 Å²	114	116.4 Å²	116.4	61%	0.61	62%	0.616	S	S	*	*	H	α-helix	trans	-74.8	-36	178.3	-72.6	24.3	0	0	0	112.6	H708 V710 L714 G715	H708-N712 PolarHBondContact CE1-OD1 3.1Å; H708-N712 PolarHBondContact ND1-OD1 3.32Å; H708-N712 WeakPolarHBondContact O-CB 3.2Å; H708-N712 PolarHBondContact O-N 2.92Å; H708-N712 PolarHBondContact O-OD1 3.04Å; V710-N712 PolarHBondContact O-N 2.95Å; N712-L714 PolarHBondContact O-N 2.86Å; N712-G715 PolarHBondContact O-N 3.26Å
713	A	27.1	Very low	25.7	Very low	89 Å²	89	111.6 Å²	111.6	74%	0.736	61%	0.61	S	S	*	*	H	α-helix	trans	-67.6	-20.5	174.7	0	0	0	0	0	112.8	R709 V710 G715	R709-A713 WeakPolarHBondContact O-CB 3.28Å; R709-A713 PolarHBondContact O-N 3.24Å; V710-A713 PolarHBondContact O-N 3.24Å; A713-G715 VanDerWaalsContact C-N 3.29Å
714	L	26.4	Very low	25.6	Very low	113 Å²	113	110.2 Å²	110.2	59%	0.592	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	5.2	171	-68.1	170.5	0	0	0	113.7	V710 G711 N712 F716	V710-L714 HydrophobicContact CG1-CD1 3.8Å; V710-L714 HydrophobicContact CG1-CG 4.43Å; V710-L714 WeakPolarHBondContact O-CB 3.47Å; V710-L714 VanDerWaalsContact O-CG 3.24Å; V710-L714 WeakPolarHBondContact O-CG 3.17Å; V710-L714 PolarHBondContact O-N 3.35Å; G711-L714 PolarHBondContact O-N 3Å; N712-L714 PolarHBondContact O-N 2.86Å; L714-F716 HydrophobicContact CB-CD2 4.04Å; L714-F716 HydrophobicContact CB-CE2 3.93Å; L714-F716 PolarHBondContact O-N 3.42Å
715	G	23.5	Very low	25.6	Very low	51 Å²	51	115 Å²	115	53%	0.526	61%	0.614	S	S	.	*	T	Hydrogen-bonded Turn	trans	71.1	22.4	160	0	0	0	0	0	117	N712 A713 Y717	N712-G715 PolarHBondContact O-N 3.26Å; A713-G715 VanDerWaalsContact C-N 3.29Å; G715-Y717 PolarHBondContact O-N 3.46Å; G715-Y717 VanDerWaalsContact O-N 3.16Å
716	F	24.9	Very low	25.6	Very low	157 Å²	157	117.2 Å²	117.2	69%	0.689	62%	0.624	S	S	*	*			trans	-69.6	-7.9	-172.8	-81.7	-71.7	0	0	0	116.7	L714	L714-F716 HydrophobicContact CB-CD2 4.04Å; L714-F716 HydrophobicContact CB-CE2 3.93Å; L714-F716 PolarHBondContact O-N 3.42Å
717	Y	24.8	Very low	25.5	Very low	222 Å²	222	118.2 Å²	118.2	87%	0.871	63%	0.627	S	S	*	*			trans	-145.3	135.6	179.6	-76.7	-84.9	0	0	0	112.3	G715	G715-Y717 PolarHBondContact O-N 3.46Å; G715-Y717 VanDerWaalsContact O-N 3.16Å
718	E	31.1	Very low	25.7	Very low	74 Å²	74	113.1 Å²	113.1	35%	0.346	61%	0.605	S	S	.	*			trans	-117.9	171.9	173.1	-63.1	-170.4	109.4	0	0	109.9	S417 K418 L419	S417-E718 WeakPolarHBondContact CA-OE1 3.42Å; S417-E718 PolarHBondContact N-OE1 2.79Å; K418-E718 WeakPolarHBondContact CA-OE2 3.41Å; K418-E718 PolarHBondContact N-OE1 2.73Å; K418-E718 PolarHBondContact N-OE2 2.93Å; L419-E718 PolarHBondContact N-OE2 3.44Å; L419-E718 CarbonylContact O-C 2.95Å; L419-E718 VanDerWaalsContact O-C 3.25Å
719	P	32.9	Very low	25.7	Very low	76 Å²	76	112.1 Å²	112.1	49%	0.494	61%	0.614	S	S	.	*				-154.7	150.7	117.3	38.1	-18.9	0	0	0	120.7	L419 S421	L419-P719 WeakPolarHBondContact O-CA 3.36Å; L419-P719 WeakPolarHBondContact O-CB 3.3Å; S421-P719 VanDerWaalsContact N-CB 3.32Å
720	D	28.5	Very low	25.8	Very low	93 Å²	93	110.1 Å²	110.1	50%	0.497	61%	0.61	S	S	.	*			trans	4.5	139.5	157.6	-73.3	31.5	0	0	0	122.3	L419	L419-D720 WeakPolarHBondContact CA-OD1 3.41Å; L419-D720 PolarHBondContact N-OD1 2.98Å
721	G	25.6	Very low	25.9	Very low	49 Å²	49	110.7 Å²	110.7	51%	0.505	61%	0.608	S	S	.	*			trans	171.6	-135.2	171.8	0	0	0	0	0	112.2	K418	K418-G721 WeakPolarHBondContact CE-O 3.49Å; K418-G721 PolarHBondContact NZ-O 2.98Å
722	E	23.6	Very low	25.9	Very low	190 Å²	190	116.3 Å²	116.3	89%	0.888	63%	0.628	S	S	*	*			trans	-132.1	156.8	169.6	-86.2	-174.5	162.7	0	0	111.1
723	T	25.7	Very low	26.2	Very low	114 Å²	114	114.2 Å²	114.2	70%	0.699	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-101.2	116.8	-176.5	45.3	0	0	0	0	111.1
724	P	22.8	Very low	26.2	Very low	91 Å²	91	114.1 Å²	114.1	59%	0.591	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-66.6	136.9	167.9	-17.2	31.1	0	0	0	110.9	F726	P724-F726 HydrophobicContact CB-CE2 3.96Å; P724-F726 HydrophobicContact CB-CZ 4.21Å; P724-F726 HydrophobicContact CG-CE2 4.33Å; P724-F726 WeakPolarHBondContact O-CD2 3.41Å; P724-F726 WeakPolarHBondContact O-CE2 3.48Å; P724-F726 PolarHBondContact O-N 2.98Å
725	D	22.2	Very low	26.2	Very low	162 Å²	162	113.1 Å²	113.1	87%	0.866	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-75.4	116.4	174.8	-87.5	-47.8	0	0	0	111.3
726	F	23	Very low	26.5	Very low	178 Å²	178	115.4 Å²	115.4	78%	0.781	60%	0.601	S	S	*	*			trans	-101.1	111.3	178.7	-68.8	-84.9	0	0	0	111.5	P724 S728	P724-F726 HydrophobicContact CB-CE2 3.96Å; P724-F726 HydrophobicContact CB-CZ 4.21Å; P724-F726 HydrophobicContact CG-CE2 4.33Å; P724-F726 WeakPolarHBondContact O-CD2 3.41Å; P724-F726 WeakPolarHBondContact O-CE2 3.48Å; P724-F726 PolarHBondContact O-N 2.98Å; F726-S728 PolarHBondContact O-N 3.19Å
727	F	23	Very low	26.8	Very low	155 Å²	155	117 Å²	117	68%	0.68	60%	0.603	S	S	*	*			trans	-64	133.8	168.1	-80.6	-89	0	0	0	111
728	S	28.4	Very low	26.9	Very low	50 Å²	50	111.9 Å²	111.9	35%	0.35	59%	0.587	S	S	.	*			trans	-91.4	141.2	-174	69.4	0	0	0	0	112.3	F726 K730 Q731	F726-S728 PolarHBondContact O-N 3.19Å; S728-K730 PolarHBondContact O-N 2.92Å; S728-Q731 PolarHBondContact O-N 3.45Å; S728-Q731 PolarHBondContact OG-OE1 3.11Å
729	A	26	Very low	26.8	Very low	82 Å²	82	111.9 Å²	111.9	68%	0.678	59%	0.592	S	S	*	*	H	α-helix	trans	-54.7	-23.3	175.7	0	0	0	0	0	113.4	Q731 M732 S733	A729-Q731 VanDerWaalsContact C-N 3.3Å; A729-Q731 PolarHBondContact O-N 3.44Å; A729-M732 PolarHBondContact O-N 2.95Å; A729-S733 WeakPolarHBondContact O-CB 3.38Å; A729-S733 PolarHBondContact O-N 3.31Å; A729-S733 PolarHBondContact O-OG 2.8Å
730	K	27.4	Very low	26.7	Very low	138 Å²	138	111.2 Å²	111.2	60%	0.6	59%	0.593	S	S	*	*	H	α-helix	trans	-55.1	-39.4	170.7	-176.7	-169.6	173	-168.4	0	112.8	S728 S733 M734	S728-K730 PolarHBondContact O-N 2.92Å; K730-S733 PolarHBondContact O-OG 3.26Å; K730-M734 HydrophobicContact CG-CE 4.18Å; K730-M734 HydrophobicContact CG-SD 4.17Å; K730-M734 WeakPolarHBondContact O-CB 3.49Å; K730-M734 WeakPolarHBondContact O-CG 3.03Å; K730-M734 PolarHBondContact O-N 2.89Å
731	Q	28.7	Very low	26.8	Very low	97 Å²	97	110.7 Å²	110.7	45%	0.453	60%	0.595	S	S	.	*	H	α-helix	trans	-72	-42.8	-179.1	-76.5	160.3	-70.9	0	0	111.5	S728 A729 M734 F735	S728-Q731 PolarHBondContact O-N 3.45Å; S728-Q731 PolarHBondContact OG-OE1 3.11Å; A729-Q731 VanDerWaalsContact C-N 3.3Å; A729-Q731 PolarHBondContact O-N 3.44Å; Q731-M734 HydrophobicContact CG-CE 4.18Å; Q731-F735 WeakPolarHBondContact O-CB 3.38Å; Q731-F735 PolarHBondContact O-N 2.94Å
732	M	24.9	Very low	26.9	Very low	148 Å²	148	113.6 Å²	113.6	73%	0.729	60%	0.599	S	S	*	*	H	α-helix	trans	-67	-39.6	175	-67.5	177	73.1	0	0	112.3	A729 F735 V736	A729-M732 PolarHBondContact O-N 2.95Å; M732-F735 PolarHBondContact O-N 3.32Å; M732-V736 WeakPolarHBondContact O-CG2 3.49Å; M732-V736 PolarHBondContact O-N 2.95Å
733	S	29.3	Very low	27.3	Very low	70 Å²	70	106.9 Å²	106.9	49%	0.49	58%	0.576	S	S	.	*	H	α-helix	trans	-71.6	-35.2	177.8	69.2	0	0	0	0	113.1	A729 K730 F735 R737	A729-S733 WeakPolarHBondContact O-CB 3.38Å; A729-S733 PolarHBondContact O-N 3.31Å; A729-S733 PolarHBondContact O-OG 2.8Å; K730-S733 PolarHBondContact O-OG 3.26Å; S733-F735 VanDerWaalsContact C-N 3.34Å; S733-R737 WeakPolarHBondContact O-CB 3.34Å; S733-R737 PolarHBondContact O-N 2.96Å
734	M	28.2	Very low	27.6	Very low	86 Å²	86	103.1 Å²	103.1	42%	0.424	56%	0.56	S	S	.	*	H	α-helix	trans	-61.2	-43.4	168.4	-74.4	-177	-42.8	0	0	111.1	K730 Q731 R737 Q738	K730-M734 HydrophobicContact CG-CE 4.18Å; K730-M734 HydrophobicContact CG-SD 4.17Å; K730-M734 WeakPolarHBondContact O-CB 3.49Å; K730-M734 WeakPolarHBondContact O-CG 3.03Å; K730-M734 PolarHBondContact O-N 2.89Å; Q731-M734 HydrophobicContact CG-CE 4.18Å; M734-R737 PolarHBondContact O-N 3.24Å; M734-Q738 WeakPolarHBondContact O-CB 3.37Å; M734-Q738 VanDerWaalsContact O-CG 3.28Å; M734-Q738 WeakPolarHBondContact O-CG 3.42Å; M734-Q738 PolarHBondContact O-N 2.91Å
735	F	26.9	Very low	28	Very low	93 Å²	93	100.2 Å²	100.2	41%	0.408	55%	0.547	S	S	.	.	H	α-helix	trans	-63.8	-50.7	179.2	-169.7	-96.4	0	0	0	112.6	Q731 M732 S733 R737 Q738 V739 W781	Q731-F735 WeakPolarHBondContact O-CB 3.38Å; Q731-F735 PolarHBondContact O-N 2.94Å; M732-F735 PolarHBondContact O-N 3.32Å; S733-F735 VanDerWaalsContact C-N 3.34Å; F735-R737 VanDerWaalsContact C-N 3.31Å; F735-R737 PolarHBondContact O-N 3.41Å; F735-Q738 PolarHBondContact O-N 2.92Å; F735-V739 HydrophobicContact CD1-CG2 4.32Å; F735-V739 HydrophobicContact CE1-CG2 3.79Å; F735-V739 HydrophobicContact CZ-CG2 3.91Å; F735-V739 WeakPolarHBondContact O-CG2 3.48Å; F735-V739 PolarHBondContact O-N 2.82Å; F735-W781 AromaticContact CE1-CZ2 3.86Å; F735-W781 HydrophobicContact CE1-CZ2 3.86Å; F735-W781 AromaticContact CZ-CE2 3.87Å; F735-W781 AromaticContact CZ-CZ2 3.54Å; F735-W781 HydrophobicContact CZ-CZ2 3.54Å; F735-W781 AromaticContact CZ-NE1 3.62Å
736	V	29.5	Very low	28.4	Very low	98 Å²	98	94.5 Å²	94.5	59%	0.594	52%	0.516	S	S	*	.	H	α-helix	trans	-60.7	-41.2	177.3	173.1	0	0	0	0	111.2	M732 V739 A740	M732-V736 WeakPolarHBondContact O-CG2 3.49Å; M732-V736 PolarHBondContact O-N 2.95Å; V736-V739 PolarHBondContact O-N 3.44Å; V736-A740 WeakPolarHBondContact O-CB 3.35Å; V736-A740 PolarHBondContact O-N 3.36Å
737	R	29.5	Very low	28.8	Very low	190 Å²	190	89.1 Å²	89.1	72%	0.717	49%	0.492	S	S	*	.	H	α-helix	trans	-67.9	-37.5	177.7	-166.9	173.6	-173.7	-178.7	1.5	112.2	S733 M734 F735 C741	S733-R737 WeakPolarHBondContact O-CB 3.34Å; S733-R737 PolarHBondContact O-N 2.96Å; M734-R737 PolarHBondContact O-N 3.24Å; F735-R737 VanDerWaalsContact C-N 3.31Å; F735-R737 PolarHBondContact O-N 3.41Å; R737-C741 WeakPolarHBondContact O-CB 3.15Å; R737-C741 PolarHBondContact O-N 3.25Å; R737-C741 PolarHBondContact O-SG 3.31Å
738	Q	28.6	Very low	29.3	Very low	115 Å²	115	88.5 Å²	88.5	54%	0.537	49%	0.491	S	S	.	.	H	α-helix	trans	-62.9	-47.7	174.1	-80.3	174.1	-29.1	0	0	111.7	M734 F735 A740 C741 L742	M734-Q738 WeakPolarHBondContact O-CB 3.37Å; M734-Q738 VanDerWaalsContact O-CG 3.28Å; M734-Q738 WeakPolarHBondContact O-CG 3.42Å; M734-Q738 PolarHBondContact O-N 2.91Å; F735-Q738 PolarHBondContact O-N 2.92Å; Q738-A740 PolarHBondContact O-N 2.81Å; Q738-C741 PolarHBondContact O-N 3.17Å; Q738-L742 WeakPolarHBondContact O-CB 3.34Å; Q738-L742 PolarHBondContact O-N 3.25Å
739	V	28.1	Very low	29.5	Very low	75 Å²	75	88.6 Å²	88.6	46%	0.455	49%	0.49	S	S	.	.	H	α-helix	trans	-62.4	-43.1	177.6	175.6	0	0	0	0	111.4	F735 V736 L742 A743	F735-V739 HydrophobicContact CD1-CG2 4.32Å; F735-V739 HydrophobicContact CE1-CG2 3.79Å; F735-V739 HydrophobicContact CZ-CG2 3.91Å; F735-V739 WeakPolarHBondContact O-CG2 3.48Å; F735-V739 PolarHBondContact O-N 2.82Å; V736-V739 PolarHBondContact O-N 3.44Å; V739-L742 PolarHBondContact O-N 3.46Å; V739-A743 WeakPolarHBondContact O-CB 3.09Å; V739-A743 PolarHBondContact O-N 2.89Å
740	A	30.5	Very low	29.6	Very low	61 Å²	61	85.9 Å²	85.9	50%	0.504	46%	0.464	S	S	.	.	H	α-helix	trans	-64.5	-44.6	177.5	0	0	0	0	0	112.7	V736 Q738 A743 G744	V736-A740 WeakPolarHBondContact O-CB 3.35Å; V736-A740 PolarHBondContact O-N 3.36Å; Q738-A740 PolarHBondContact O-N 2.81Å; A740-A743 PolarHBondContact O-N 3.34Å; A740-G744 PolarHBondContact O-N 3.31Å
741	C	30.2	Very low	30	Very low	82 Å²	82	81.2 Å²	81.2	55%	0.554	45%	0.447	S	S	*	.	H	α-helix	trans	-66	-36	176	-69.9	0	0	0	0	112.4	R737 Q738 G745	R737-C741 WeakPolarHBondContact O-CB 3.15Å; R737-C741 PolarHBondContact O-N 3.25Å; R737-C741 PolarHBondContact O-SG 3.31Å; Q738-C741 PolarHBondContact O-N 3.17Å; C741-G745 PolarHBondContact O-N 3.45Å
742	L	28.9	Very low	30.3	Very low	111 Å²	111	80.6 Å²	80.6	58%	0.581	46%	0.458	S	S	*	.	H	α-helix	trans	-65.8	-43.8	176.8	-156.6	83.6	0	0	0	111.2	Q738 V739 L746	Q738-L742 WeakPolarHBondContact O-CB 3.34Å; Q738-L742 PolarHBondContact O-N 3.25Å; V739-L742 PolarHBondContact O-N 3.46Å; L742-L746 WeakPolarHBondContact O-CB 3.34Å; L742-L746 PolarHBondContact O-N 3.22Å
743	A	31	Very low	30.7	Very low	48 Å²	48	81.8 Å²	81.8	40%	0.397	46%	0.46	S	S	.	.	H	α-helix	trans	-65.6	-42.8	176.4	0	0	0	0	0	112.3	V739 A740 F747	V739-A743 WeakPolarHBondContact O-CB 3.09Å; V739-A743 PolarHBondContact O-N 2.89Å; A740-A743 PolarHBondContact O-N 3.34Å; A743-F747 WeakPolarHBondContact O-CB 3.37Å; A743-F747 PolarHBondContact O-N 3.46Å
744	G	33	Very low	30.7	Very low	36 Å²	36	82.8 Å²	82.8	37%	0.371	46%	0.459	S	S	.	.	H	α-helix	trans	-62.5	-47.8	175.1	0	0	0	0	0	112.6	A740 L746 F747 E748	A740-G744 PolarHBondContact O-N 3.31Å; G744-L746 PolarHBondContact O-N 3.02Å; G744-F747 WeakPolarHBondContact O-CA 3.46Å; G744-F747 WeakPolarHBondContact O-CB 3.31Å; G744-F747 PolarHBondContact O-N 3.05Å; G744-E748 PolarHBondContact O-N 3.46Å
745	G	30.3	Very low	31	Very low	30 Å²	30	80.3 Å²	80.3	31%	0.309	46%	0.456	S	S	.	.	H	α-helix	trans	-63.3	-39.9	177.4	0	0	0	0	0	113.1	C741 F747 E748 V749	C741-G745 PolarHBondContact O-N 3.45Å; G745-F747 VanDerWaalsContact C-N 3.27Å; G745-F747 PolarHBondContact O-N 2.85Å; G745-E748 PolarHBondContact O-N 3.49Å; G745-V749 WeakPolarHBondContact O-CB 3.36Å; G745-V749 VanDerWaalsContact O-CG2 3.26Å; G745-V749 WeakPolarHBondContact O-CG2 3.29Å; G745-V749 PolarHBondContact O-N 3.2Å
746	L	30.6	Very low	31.2	Very low	42 Å²	42	83.4 Å²	83.4	22%	0.22	47%	0.47	C	S	.	.	H	α-helix	trans	-59.3	-39	170.8	-90.4	161.1	0	0	0	111.9	V30 L742 G744 L750	V30-L746 HydrophobicContact CG1-CD2 4.19Å; L742-L746 WeakPolarHBondContact O-CB 3.34Å; L742-L746 PolarHBondContact O-N 3.22Å; G744-L746 PolarHBondContact O-N 3.02Å; L746-L750 VanDerWaalsContact O-CB 3.25Å; L746-L750 WeakPolarHBondContact O-CB 3.43Å; L746-L750 VanDerWaalsContact O-CG 3.24Å; L746-L750 WeakPolarHBondContact O-CG 3.3Å; L746-L750 PolarHBondContact O-N 3.33Å
747	F	32	Very low	31.3	Very low	65 Å²	65	83 Å²	83	29%	0.285	46%	0.464	S	S	.	.	H	α-helix	trans	-70.3	-43.7	178.9	-163.3	-94.8	0	0	0	112.9	A743 G744 G745 L750 T751 F756 V761 L764	A743-F747 WeakPolarHBondContact O-CB 3.37Å; A743-F747 PolarHBondContact O-N 3.46Å; G744-F747 WeakPolarHBondContact O-CA 3.46Å; G744-F747 WeakPolarHBondContact O-CB 3.31Å; G744-F747 PolarHBondContact O-N 3.05Å; G745-F747 VanDerWaalsContact C-N 3.27Å; G745-F747 PolarHBondContact O-N 2.85Å; F747-L750 PolarHBondContact O-N 2.97Å; F747-T751 HydrophobicContact CD1-CG2 4.1Å; F747-T751 HydrophobicContact CE1-CG2 3.76Å; F747-T751 HydrophobicContact CZ-CG2 4.05Å; F747-T751 WeakPolarHBondContact O-CB 3.32Å; F747-T751 WeakPolarHBondContact O-CG2 3.31Å; F747-T751 PolarHBondContact O-N 2.99Å; F747-T751 PolarHBondContact O-OG1 3.47Å; F747-F756 HydrophobicContact CE1-CD2 4.46Å; F747-F756 HydrophobicContact CE1-CE2 4.12Å; F747-F756 HydrophobicContact CZ-CD2 4.37Å; F747-F756 AromaticContact CZ-CE2 3.87Å; F747-F756 HydrophobicContact CZ-CE2 3.87Å; F747-V761 HydrophobicContact CE2-CB 4.36Å; F747-V761 HydrophobicContact CE2-CG1 4.03Å; F747-V761 HydrophobicContact CE2-CG2 3.82Å; F747-V761 HydrophobicContact CZ-CG1 4.42Å; F747-V761 HydrophobicContact CZ-CG2 3.81Å; F747-L764 HydrophobicContact CD2-CD2 4.12Å
748	E	33.7	Very low	31.5	Very low	141 Å²	141	76.9 Å²	76.9	66%	0.659	45%	0.454	S	S	*	.	H	α-helix	trans	-62.4	-45	174.3	-71.5	-171	143.6	0	0	111.5	G744 G745 T751 A752	G744-E748 PolarHBondContact O-N 3.46Å; G745-E748 PolarHBondContact O-N 3.49Å; E748-T751 PolarHBondContact O-N 2.77Å; E748-T751 PolarHBondContact O-OG1 3.32Å; E748-A752 WeakPolarHBondContact O-CB 3.48Å; E748-A752 PolarHBondContact O-N 3.02Å
749	V	32	Very low	31.7	Very low	53 Å²	53	76.3 Å²	76.3	32%	0.321	46%	0.459	S	S	.	.	H	α-helix	trans	-61.4	-48.4	175.7	169.8	0	0	0	0	111	G745 T751 A752 F753	G745-V749 WeakPolarHBondContact O-CB 3.36Å; G745-V749 VanDerWaalsContact O-CG2 3.26Å; G745-V749 WeakPolarHBondContact O-CG2 3.29Å; G745-V749 PolarHBondContact O-N 3.2Å; V749-T751 PolarHBondContact O-N 2.97Å; V749-A752 PolarHBondContact O-N 3.3Å; V749-F753 HydrophobicContact CG1-CD2 3.87Å; V749-F753 HydrophobicContact CG1-CE2 4.1Å; V749-F753 VanDerWaalsContact O-CD2 3.31Å; V749-F753 WeakPolarHBondContact O-CD2 3.36Å; V749-F753 PolarHBondContact O-N 3.4Å; V749-F753 VanDerWaalsContact O-N 3.08Å
750	L	29.2	Very low	31.8	Very low	25 Å²	25	75.4 Å²	75.4	13%	0.131	45%	0.45	C	S	.	.	H	α-helix	trans	-63.8	-39.7	-179.6	-78.8	169.1	0	0	0	112.7	L746 F747 N754 M760 L764	L746-L750 VanDerWaalsContact O-CB 3.25Å; L746-L750 WeakPolarHBondContact O-CB 3.43Å; L746-L750 VanDerWaalsContact O-CG 3.24Å; L746-L750 WeakPolarHBondContact O-CG 3.3Å; L746-L750 PolarHBondContact O-N 3.33Å; F747-L750 PolarHBondContact O-N 2.97Å; L750-N754 WeakPolarHBondContact O-CB 3.4Å; L750-N754 PolarHBondContact O-N 2.97Å; L750-N754 PolarHBondContact O-ND2 3.4Å; L750-M760 HydrophobicContact CB-CE 3.94Å; L750-M760 HydrophobicContact CD2-CE 4.27Å; L750-L764 HydrophobicContact CD1-CD1 3.93Å; L750-L764 HydrophobicContact CD1-CD2 4.49Å
751	T	35.1	Very low	32	Very low	39 Å²	39	74.5 Å²	74.5	24%	0.239	44%	0.438	C	S	.	.	H	α-helix	trans	-76.3	-32.5	178.6	52	0	0	0	0	113	F747 E748 V749 G755 F756	F747-T751 HydrophobicContact CD1-CG2 4.1Å; F747-T751 HydrophobicContact CE1-CG2 3.76Å; F747-T751 HydrophobicContact CZ-CG2 4.05Å; F747-T751 WeakPolarHBondContact O-CB 3.32Å; F747-T751 WeakPolarHBondContact O-CG2 3.31Å; F747-T751 PolarHBondContact O-N 2.99Å; F747-T751 PolarHBondContact O-OG1 3.47Å; E748-T751 PolarHBondContact O-N 2.77Å; E748-T751 PolarHBondContact O-OG1 3.32Å; V749-T751 PolarHBondContact O-N 2.97Å; T751-G755 WeakPolarHBondContact O-CA 3.35Å; T751-G755 PolarHBondContact O-N 3.32Å; T751-F756 HydrophobicContact CG2-CD2 4.07Å
752	A	35	Very low	32.1	Very low	84 Å²	84	76.5 Å²	76.5	69%	0.694	44%	0.443	S	S	*	.	H	α-helix	trans	-66.2	-38.3	173	0	0	0	0	0	112.7	E748 V749	E748-A752 WeakPolarHBondContact O-CB 3.48Å; E748-A752 PolarHBondContact O-N 3.02Å; V749-A752 PolarHBondContact O-N 3.3Å
753	F	33.8	Very low	32.2	Very low	174 Å²	174	72.8 Å²	72.8	76%	0.763	43%	0.431	S	S	*	.	H	α-helix	trans	-87.1	-27.3	-179.3	-79	-67.9	0	0	0	115.2	V749	V749-F753 HydrophobicContact CG1-CD2 3.87Å; V749-F753 HydrophobicContact CG1-CE2 4.1Å; V749-F753 VanDerWaalsContact O-CD2 3.31Å; V749-F753 WeakPolarHBondContact O-CD2 3.36Å; V749-F753 PolarHBondContact O-N 3.4Å; V749-F753 VanDerWaalsContact O-N 3.08Å
754	N	29.5	Very low	32.4	Very low	90 Å²	90	72.6 Å²	72.6	48%	0.481	42%	0.423	S	S	.	.	H	α-helix	trans	-121.8	-5.3	-173.8	-50.6	-88.4	0	0	0	114.3	L750 M760	L750-N754 WeakPolarHBondContact O-CB 3.4Å; L750-N754 PolarHBondContact O-N 2.97Å; L750-N754 PolarHBondContact O-ND2 3.4Å; N754-M760 HydrophobicContact CB-CE 4.19Å; N754-M760 HydrophobicContact CB-SD 4.15Å
755	G	33.1	Very low	32.4	Very low	35 Å²	35	77.1 Å²	77.1	36%	0.361	43%	0.43	S	S	.	.			trans	78.2	176.4	-170.4	0	0	0	0	0	113.4	T751	T751-G755 WeakPolarHBondContact O-CA 3.35Å; T751-G755 PolarHBondContact O-N 3.32Å
756	F	30.9	Very low	32.6	Very low	158 Å²	158	79 Å²	79	69%	0.693	44%	0.439	S	S	*	.			trans	-93.1	115.1	-179.5	-170.1	-86.2	0	0	0	110.9	F747 T751 V761	F747-F756 HydrophobicContact CE1-CD2 4.46Å; F747-F756 HydrophobicContact CE1-CE2 4.12Å; F747-F756 HydrophobicContact CZ-CD2 4.37Å; F747-F756 AromaticContact CZ-CE2 3.87Å; F747-F756 HydrophobicContact CZ-CE2 3.87Å; T751-F756 HydrophobicContact CG2-CD2 4.07Å; F756-V761 HydrophobicContact CE2-CG2 4.36Å; F756-V761 HydrophobicContact CZ-CG2 4.25Å
757	N	33.1	Very low	32.8	Very low	89 Å²	89	81.1 Å²	81.1	48%	0.476	45%	0.448	S	S	.	.			trans	-132.7	123.2	174.4	178.1	-10.9	0	0	0	109.5	T759 M760 V761	N757-T759 PolarHBondContact O-N 3.39Å; N757-T759 PolarHBondContact OD1-N 3.41Å; N757-T759 PolarHBondContact OD1-OG1 2.9Å; N757-M760 HydrophobicContact CB-CB 4.35Å; N757-M760 WeakPolarHBondContact O-CA 3.31Å; N757-M760 VanDerWaalsContact O-CB 3.28Å; N757-M760 WeakPolarHBondContact O-CB 3.24Å; N757-M760 PolarHBondContact O-N 3.24Å; N757-V761 PolarHBondContact O-N 3.45Å
758	A	32.2	Very low	33	Very low	61 Å²	61	82.9 Å²	82.9	50%	0.504	46%	0.459	S	S	.	.	H	α-helix	trans	-58	-34	-177.6	0	0	0	0	0	113.3	M760 V761 L762	A758-M760 VanDerWaalsContact C-N 3.27Å; A758-M760 PolarHBondContact O-N 2.84Å; A758-V761 WeakPolarHBondContact O-CB 3.42Å; A758-V761 PolarHBondContact O-N 3.25Å; A758-L762 PolarHBondContact O-N 2.53Å
759	T	32.6	Very low	33	Very low	104 Å²	104	80 Å²	80	64%	0.638	46%	0.46	S	S	*	.	H	α-helix	trans	-65	-32.1	175.6	-44.4	0	0	0	0	111.7	N757 G763	N757-T759 PolarHBondContact O-N 3.39Å; N757-T759 PolarHBondContact OD1-N 3.41Å; N757-T759 PolarHBondContact OD1-OG1 2.9Å; T759-G763 PolarHBondContact O-N 2.8Å
760	M	31.2	Very low	33.1	Very low	55 Å²	55	80.3 Å²	80.3	27%	0.271	46%	0.459	S	S	.	.	H	α-helix	trans	-71.6	-36.1	174.2	-122.4	179.2	74.1	0	0	111.8	L750 N754 N757 A758 G763 L764	L750-M760 HydrophobicContact CB-CE 3.94Å; L750-M760 HydrophobicContact CD2-CE 4.27Å; N754-M760 HydrophobicContact CB-CE 4.19Å; N754-M760 HydrophobicContact CB-SD 4.15Å; N757-M760 HydrophobicContact CB-CB 4.35Å; N757-M760 WeakPolarHBondContact O-CA 3.31Å; N757-M760 VanDerWaalsContact O-CB 3.28Å; N757-M760 WeakPolarHBondContact O-CB 3.24Å; N757-M760 PolarHBondContact O-N 3.24Å; A758-M760 VanDerWaalsContact C-N 3.27Å; A758-M760 PolarHBondContact O-N 2.84Å; M760-G763 PolarHBondContact O-N 2.97Å; M760-L764 WeakPolarHBondContact O-CB 3.25Å; M760-L764 PolarHBondContact O-N 3.02Å
761	V	34.1	Very low	33.4	Very low	42 Å²	42	85.1 Å²	85.1	26%	0.255	48%	0.481	S	S	.	.	H	α-helix	trans	-64.2	-46.3	174.1	-172	0	0	0	0	110.6	F747 F756 N757 A758 L764 Y765	F747-V761 HydrophobicContact CE2-CB 4.36Å; F747-V761 HydrophobicContact CE2-CG1 4.03Å; F747-V761 HydrophobicContact CE2-CG2 3.82Å; F747-V761 HydrophobicContact CZ-CG1 4.42Å; F747-V761 HydrophobicContact CZ-CG2 3.81Å; F756-V761 HydrophobicContact CE2-CG2 4.36Å; F756-V761 HydrophobicContact CZ-CG2 4.25Å; N757-V761 PolarHBondContact O-N 3.45Å; A758-V761 WeakPolarHBondContact O-CB 3.42Å; A758-V761 PolarHBondContact O-N 3.25Å; V761-L764 PolarHBondContact O-N 3.28Å; V761-Y765 PolarHBondContact O-N 3.24Å
762	L	32.2	Very low	33.3	Very low	124 Å²	124	89.8 Å²	89.8	65%	0.649	50%	0.502	S	S	*	.	H	α-helix	trans	-63.4	-43	176	-75.9	166.2	0	0	0	112.1	A758 Y765 S766	A758-L762 PolarHBondContact O-N 2.53Å; L762-Y765 WeakPolarHBondContact O-CB 3.44Å; L762-Y765 PolarHBondContact O-N 3.39Å; L762-S766 PolarHBondContact O-N 3.47Å; L762-S766 PolarHBondContact O-OG 3.25Å
763	G	32.3	Very low	33.2	Very low	33 Å²	33	87.9 Å²	87.9	34%	0.34	48%	0.482	S	S	.	.	H	α-helix	trans	-61.9	-41.5	176	0	0	0	0	0	113.2	T759 M760 Y765 S766 E767	T759-G763 PolarHBondContact O-N 2.8Å; M760-G763 PolarHBondContact O-N 2.97Å; G763-Y765 VanDerWaalsContact C-N 3.32Å; G763-Y765 PolarHBondContact O-N 3.43Å; G763-S766 WeakPolarHBondContact CA-OG 3.49Å; G763-S766 PolarHBondContact O-N 2.68Å; G763-S766 PolarHBondContact O-OG 2.86Å; G763-E767 WeakPolarHBondContact O-CB 3.26Å; G763-E767 PolarHBondContact O-N 3.45Å
764	L	34.4	Very low	33.3	Very low	44 Å²	44	81.5 Å²	81.5	23%	0.23	46%	0.461	C	S	.	.	H	α-helix	trans	-63.8	-39.2	173.7	-163.9	76.9	0	0	0	111.2	F747 L750 M760 V761 I768	F747-L764 HydrophobicContact CD2-CD2 4.12Å; L750-L764 HydrophobicContact CD1-CD1 3.93Å; L750-L764 HydrophobicContact CD1-CD2 4.49Å; M760-L764 WeakPolarHBondContact O-CB 3.25Å; M760-L764 PolarHBondContact O-N 3.02Å; V761-L764 PolarHBondContact O-N 3.28Å; L764-I768 HydrophobicContact CG-CD1 4.07Å; L764-I768 WeakPolarHBondContact O-CB 3.38Å; L764-I768 VanDerWaalsContact O-CG1 3.27Å; L764-I768 WeakPolarHBondContact O-CG1 3.38Å; L764-I768 PolarHBondContact O-N 3.45Å
765	Y	32.8	Very low	33.5	Very low	131 Å²	131	82.7 Å²	82.7	51%	0.514	46%	0.462	S	S	.	.	H	α-helix	trans	-66.5	-43.8	176.8	-122.7	-82.9	0	0	0	112.6	V761 L762 G763 A769	V761-Y765 PolarHBondContact O-N 3.24Å; L762-Y765 WeakPolarHBondContact O-CB 3.44Å; L762-Y765 PolarHBondContact O-N 3.39Å; G763-Y765 VanDerWaalsContact C-N 3.32Å; G763-Y765 PolarHBondContact O-N 3.43Å; Y765-A769 WeakPolarHBondContact O-CB 3.49Å; Y765-A769 PolarHBondContact O-N 3.3Å; Y765-A769 VanDerWaalsContact O-N 3.12Å
766	S	34.3	Very low	33.5	Very low	71 Å²	71	85.2 Å²	85.2	50%	0.497	47%	0.471	S	S	.	.	H	α-helix	trans	-66.6	-37.5	176.7	57.9	0	0	0	0	112	L762 G763 A769 N770	L762-S766 PolarHBondContact O-N 3.47Å; L762-S766 PolarHBondContact O-OG 3.25Å; G763-S766 WeakPolarHBondContact CA-OG 3.49Å; G763-S766 PolarHBondContact O-N 2.68Å; G763-S766 PolarHBondContact O-OG 2.86Å; S766-A769 CarbonylContact O-C 2.92Å; S766-A769 PolarHBondContact O-N 3.06Å; S766-N770 PolarHBondContact O-N 2.94Å
767	E	34.4	Very low	33.7	Very low	85 Å²	85	81.4 Å²	81.4	40%	0.397	46%	0.457	S	S	.	.	H	α-helix	trans	-81.1	-25.1	-177.1	-153.3	75.5	127.7	0	0	113.1	G763 A769 N770 T773	G763-E767 WeakPolarHBondContact O-CB 3.26Å; G763-E767 PolarHBondContact O-N 3.45Å; E767-A769 VanDerWaalsContact C-N 3.33Å; E767-N770 WeakPolarHBondContact O-CB 3.37Å; E767-N770 PolarHBondContact O-N 3.22Å; E767-N770 WeakPolarHBondContact OE2-CB 3.42Å; E767-N770 PolarHBondContact OE2-ND2 3.3Å; E767-T773 WeakPolarHBondContact O-CB 3.37Å; E767-T773 PolarHBondContact O-OG1 3.13Å
768	I	36.4	Very low	33.7	Very low	102 Å²	102	81.3 Å²	81.3	52%	0.523	46%	0.457	S	S	.	.	H	α-helix	trans	-70.1	-32.8	165.1	-69.9	168.3	0	0	0	110.9	L764 N770	L764-I768 HydrophobicContact CG-CD1 4.07Å; L764-I768 WeakPolarHBondContact O-CB 3.38Å; L764-I768 VanDerWaalsContact O-CG1 3.27Å; L764-I768 WeakPolarHBondContact O-CG1 3.38Å; L764-I768 PolarHBondContact O-N 3.45Å; I768-N770 VanDerWaalsContact C-N 3.34Å
769	A	34.7	Very low	33.6	Very low	82 Å²	82	80.3 Å²	80.3	68%	0.678	45%	0.452	S	S	*	.	S	Bend	trans	-81.6	-9.2	174.7	0	0	0	0	0	113.9	Y765 S766 E767 E771	Y765-A769 WeakPolarHBondContact O-CB 3.49Å; Y765-A769 PolarHBondContact O-N 3.3Å; Y765-A769 VanDerWaalsContact O-N 3.12Å; S766-A769 CarbonylContact O-C 2.92Å; S766-A769 PolarHBondContact O-N 3.06Å; E767-A769 VanDerWaalsContact C-N 3.33Å; A769-E771 PolarHBondContact O-N 3.19Å
770	N	33.3	Very low	33.5	Very low	58 Å²	58	81.1 Å²	81.1	31%	0.31	45%	0.452	S	S	.	.	S	Bend	trans	-67.1	132.3	-179.4	-174.3	-19.5	0	0	0	110.5	S766 E767 I768 M772 T773 A774	S766-N770 PolarHBondContact O-N 2.94Å; E767-N770 WeakPolarHBondContact O-CB 3.37Å; E767-N770 PolarHBondContact O-N 3.22Å; E767-N770 WeakPolarHBondContact OE2-CB 3.42Å; E767-N770 PolarHBondContact OE2-ND2 3.3Å; I768-N770 VanDerWaalsContact C-N 3.34Å; N770-M772 PolarHBondContact O-N 3.25Å; N770-M772 VanDerWaalsContact O-N 3.15Å; N770-M772 PolarHBondContact OD1-N 3.47Å; N770-M772 VanDerWaalsContact OD1-N 3.07Å; N770-T773 WeakPolarHBondContact O-CA 3.47Å; N770-T773 WeakPolarHBondContact O-CB 3.46Å; N770-T773 PolarHBondContact O-N 3.18Å; N770-A774 PolarHBondContact O-N 3.47Å
771	E	36.1	Very low	33.4	Very low	126 Å²	126	83.3 Å²	83.3	59%	0.589	46%	0.457	S	S	*	.	H	α-helix	trans	-59.5	-27.5	-177.9	-156.1	-159.9	-145.6	0	0	112.5	A769 K775	A769-E771 PolarHBondContact O-N 3.19Å; E771-K775 HydrophobicContact CG-CD 4.37Å; E771-K775 VanDerWaalsContact O-CB 3.3Å; E771-K775 WeakPolarHBondContact O-CB 3.28Å; E771-K775 WeakPolarHBondContact O-CD 3.48Å; E771-K775 VanDerWaalsContact O-CG 3.23Å; E771-K775 WeakPolarHBondContact O-CG 3.35Å; E771-K775 PolarHBondContact O-N 2.93Å; E771-K775 IonicContact OE1-NZ 2.66Å; E771-K775 PolarHBondContact OE1-NZ 3.05Å; E771-K775 WeakPolarHBondContact OE2-CE 3.42Å; E771-K775 IonicContact OE2-NZ 3.42Å; E771-K775 PolarHBondContact OE2-NZ 3.16Å
772	M	32.6	Very low	33	Very low	137 Å²	137	87 Å²	87	68%	0.675	47%	0.474	S	S	*	.	H	α-helix	trans	-66.7	-40.7	171.9	-75.7	-95.3	-76.5	0	0	112.2	N770 K775 T776	N770-M772 PolarHBondContact O-N 3.25Å; N770-M772 VanDerWaalsContact O-N 3.15Å; N770-M772 PolarHBondContact OD1-N 3.47Å; N770-M772 VanDerWaalsContact OD1-N 3.07Å; M772-K775 PolarHBondContact O-N 3.2Å; M772-T776 WeakPolarHBondContact O-CB 3.36Å; M772-T776 PolarHBondContact O-N 2.81Å; M772-T776 PolarHBondContact O-OG1 3.03Å
773	T	33	Very low	32.6	Very low	45 Å²	45	85.3 Å²	85.3	28%	0.276	47%	0.47	S	S	.	.	H	α-helix	trans	-70.2	-41.5	177.3	-51.7	0	0	0	0	110.3	E767 N770 T776 L777	E767-T773 WeakPolarHBondContact O-CB 3.37Å; E767-T773 PolarHBondContact O-OG1 3.13Å; N770-T773 WeakPolarHBondContact O-CA 3.47Å; N770-T773 WeakPolarHBondContact O-CB 3.46Å; N770-T773 PolarHBondContact O-N 3.18Å; T773-T776 PolarHBondContact O-N 2.94Å; T773-L777 HydrophobicContact CG2-CD1 4.43Å; T773-L777 WeakPolarHBondContact O-CG 3.41Å; T773-L777 PolarHBondContact O-N 2.95Å
774	A	35.3	Very low	32.4	Very low	40 Å²	40	87.8 Å²	87.8	33%	0.331	48%	0.479	S	S	.	.	H	α-helix	trans	-57.9	-49.5	171.2	0	0	0	0	0	111.6	N770 T776 L777 D778	N770-A774 PolarHBondContact O-N 3.47Å; A774-T776 VanDerWaalsContact C-N 3.27Å; A774-T776 PolarHBondContact O-N 2.84Å; A774-L777 PolarHBondContact O-N 2.89Å; A774-D778 PolarHBondContact O-N 2.76Å
775	K	34.8	Very low	31.9	Very low	115 Å²	115	93 Å²	93	50%	0.5	50%	0.5	S	S	.	.	H	α-helix	trans	-62.6	-30.3	175.6	-76.5	166.5	179.2	169.1	0	113.5	E771 M772 G779	E771-K775 HydrophobicContact CG-CD 4.37Å; E771-K775 VanDerWaalsContact O-CB 3.3Å; E771-K775 WeakPolarHBondContact O-CB 3.28Å; E771-K775 WeakPolarHBondContact O-CD 3.48Å; E771-K775 VanDerWaalsContact O-CG 3.23Å; E771-K775 WeakPolarHBondContact O-CG 3.35Å; E771-K775 PolarHBondContact O-N 2.93Å; E771-K775 IonicContact OE1-NZ 2.66Å; E771-K775 PolarHBondContact OE1-NZ 3.05Å; E771-K775 WeakPolarHBondContact OE2-CE 3.42Å; E771-K775 IonicContact OE2-NZ 3.42Å; E771-K775 PolarHBondContact OE2-NZ 3.16Å; M772-K775 PolarHBondContact O-N 3.2Å; K775-G779 PolarHBondContact O-N 2.92Å
776	T	33.3	Very low	31.4	Very low	88 Å²	88	90 Å²	90	54%	0.54	51%	0.51	S	S	.	.	H	α-helix	trans	-72.9	-40	175.2	-56.1	0	0	0	0	111.3	M772 T773 A774 G779 L780	M772-T776 WeakPolarHBondContact O-CB 3.36Å; M772-T776 PolarHBondContact O-N 2.81Å; M772-T776 PolarHBondContact O-OG1 3.03Å; T773-T776 PolarHBondContact O-N 2.94Å; A774-T776 VanDerWaalsContact C-N 3.27Å; A774-T776 PolarHBondContact O-N 2.84Å; T776-G779 PolarHBondContact O-N 3.45Å; T776-L780 WeakPolarHBondContact O-CG 3.46Å; T776-L780 PolarHBondContact O-N 3.48Å
777	L	34.9	Very low	30.9	Very low	78 Å²	78	94.9 Å²	94.9	41%	0.408	52%	0.524	S	S	.	.	H	α-helix	trans	-65.2	-42.1	171.4	-67.9	166.5	0	0	0	111.4	T773 A774 G779 L780 W781	T773-L777 HydrophobicContact CG2-CD1 4.43Å; T773-L777 WeakPolarHBondContact O-CG 3.41Å; T773-L777 PolarHBondContact O-N 2.95Å; A774-L777 PolarHBondContact O-N 2.89Å; L777-G779 VanDerWaalsContact C-N 3.32Å; L777-G779 PolarHBondContact O-N 2.95Å; L777-L780 CarbonylContact O-C 3.44Å; L777-L780 WeakPolarHBondContact O-CA 3.17Å; L777-L780 WeakPolarHBondContact O-CB 3.41Å; L777-L780 PolarHBondContact O-N 2.91Å; L777-L780 VanDerWaalsContact O-N 3.07Å; L777-W781 VanDerWaalsContact C-CE3 3.42Å; L777-W781 HydrophobicContact CB-CE3 3.98Å; L777-W781 HydrophobicContact CB-CH2 4.45Å; L777-W781 HydrophobicContact CB-CZ3 3.65Å; L777-W781 VanDerWaalsContact O-CE3 3.26Å; L777-W781 PolarHBondContact O-N 3.39Å
778	D	33.3	Very low	30.5	Very low	87 Å²	87	94.1 Å²	94.1	47%	0.465	52%	0.522	S	S	.	.	H	α-helix	trans	-60	-40.8	171.9	-75.6	-19.8	0	0	0	111.7	A774 L780 W781 I782	A774-D778 PolarHBondContact O-N 2.76Å; D778-L780 VanDerWaalsContact C-N 3.28Å; D778-L780 PolarHBondContact O-N 3.32Å; D778-W781 CarbonylContact O-C 3.56Å; D778-W781 WeakPolarHBondContact O-CA 3.35Å; D778-W781 PolarHBondContact O-N 2.85Å; D778-I782 WeakPolarHBondContact O-CG1 3.32Å; D778-I782 PolarHBondContact O-N 3.18Å
779	G	30.1	Very low	29.8	Very low	39 Å²	39	95.1 Å²	95.1	40%	0.402	54%	0.538	S	S	.	.	H	α-helix	trans	-59.4	-36.5	171.9	0	0	0	0	0	113.4	K775 T776 L777 P783	K775-G779 PolarHBondContact O-N 2.92Å; T776-G779 PolarHBondContact O-N 3.45Å; L777-G779 VanDerWaalsContact C-N 3.32Å; L777-G779 PolarHBondContact O-N 2.95Å; G779-P783 VanDerWaalsContact O-CD 3.25Å; G779-P783 WeakPolarHBondContact O-CD 3.28Å
780	L	30.7	Very low	29.3	Very low	121 Å²	121	94.7 Å²	94.7	63%	0.634	54%	0.542	S	S	*	.	H	α-helix	trans	-75.9	-23.1	172.8	-68.6	164.6	0	0	0	113	T776 L777 D778	T776-L780 WeakPolarHBondContact O-CG 3.46Å; T776-L780 PolarHBondContact O-N 3.48Å; L777-L780 CarbonylContact O-C 3.44Å; L777-L780 WeakPolarHBondContact O-CA 3.17Å; L777-L780 WeakPolarHBondContact O-CB 3.41Å; L777-L780 PolarHBondContact O-N 2.91Å; L777-L780 VanDerWaalsContact O-N 3.07Å; D778-L780 VanDerWaalsContact C-N 3.28Å; D778-L780 PolarHBondContact O-N 3.32Å
781	W	27.8	Very low	28.7	Very low	101 Å²	101	101.4 Å²	101.4	38%	0.383	56%	0.563	S	S	.	*	H	α-helix	trans	-82.9	-27.4	174.3	-88.5	-55	0	0	0	114.1	F735 L777 D778 T784 F785	F735-W781 AromaticContact CE1-CZ2 3.86Å; F735-W781 HydrophobicContact CE1-CZ2 3.86Å; F735-W781 AromaticContact CZ-CE2 3.87Å; F735-W781 AromaticContact CZ-CZ2 3.54Å; F735-W781 HydrophobicContact CZ-CZ2 3.54Å; F735-W781 AromaticContact CZ-NE1 3.62Å; L777-W781 VanDerWaalsContact C-CE3 3.42Å; L777-W781 HydrophobicContact CB-CE3 3.98Å; L777-W781 HydrophobicContact CB-CH2 4.45Å; L777-W781 HydrophobicContact CB-CZ3 3.65Å; L777-W781 VanDerWaalsContact O-CE3 3.26Å; L777-W781 PolarHBondContact O-N 3.39Å; D778-W781 CarbonylContact O-C 3.56Å; D778-W781 WeakPolarHBondContact O-CA 3.35Å; D778-W781 PolarHBondContact O-N 2.85Å; W781-T784 WeakPolarHBondContact O-CB 3.18Å; W781-T784 PolarHBondContact O-N 2.97Å; W781-T784 PolarHBondContact O-OG1 3.41Å; W781-F785 WeakPolarHBondContact O-CD2 3.34Å; W781-F785 PolarHBondContact O-N 3.05Å
782	I	26.4	Very low	28	Very low	121 Å²	121	104.3 Å²	104.3	62%	0.621	58%	0.576	S	S	*	*	H	α-helix	trans	-52.8	-46	178	-75.5	167.3	0	0	0	112.6	D778 T784 F785	D778-I782 WeakPolarHBondContact O-CG1 3.32Å; D778-I782 PolarHBondContact O-N 3.18Å; I782-T784 PolarHBondContact O-N 3.47Å; I782-F785 PolarHBondContact O-N 3.06Å
783	P	24.7	Very low	27.5	Very low	87 Å²	87	101.1 Å²	101.1	57%	0.565	56%	0.564	S	S	*	*	H	α-helix	trans	-58	-30.8	173.7	-27	35.2	0	0	0	114.4	G779 F785 G786	G779-P783 VanDerWaalsContact O-CD 3.25Å; G779-P783 WeakPolarHBondContact O-CD 3.28Å; P783-F785 VanDerWaalsContact C-N 3.33Å; P783-F785 PolarHBondContact O-N 3.02Å; P783-G786 PolarHBondContact O-N 2.8Å
784	T	27.8	Very low	27	Very low	86 Å²	86	103.4 Å²	103.4	53%	0.528	58%	0.575	S	S	.	*	H	α-helix	trans	-71.5	-27.9	-177.6	-15.9	0	0	0	0	112.4	W781 I782 G786	W781-T784 WeakPolarHBondContact O-CB 3.18Å; W781-T784 PolarHBondContact O-N 2.97Å; W781-T784 PolarHBondContact O-OG1 3.41Å; I782-T784 PolarHBondContact O-N 3.47Å; T784-G786 VanDerWaalsContact C-N 3.27Å; T784-G786 PolarHBondContact O-N 2.87Å
785	F	23.3	Very low	26.5	Very low	153 Å²	153	111.7 Å²	111.7	67%	0.671	60%	0.598	S	S	*	*	H	α-helix	trans	-69	-23.4	173	-76.3	-78.9	0	0	0	113.3	W781 I782 P783 H787 I788	W781-F785 WeakPolarHBondContact O-CD2 3.34Å; W781-F785 PolarHBondContact O-N 3.05Å; I782-F785 PolarHBondContact O-N 3.06Å; P783-F785 VanDerWaalsContact C-N 3.33Å; P783-F785 PolarHBondContact O-N 3.02Å; F785-H787 PolarHBondContact O-N 3.24Å; F785-I788 PolarHBondContact O-N 3.04Å
786	G	23.1	Very low	26.1	Very low	69 Å²	69	112 Å²	112	71%	0.711	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-11.8	-179.4	0	0	0	0	0	115.3	P783 T784	P783-G786 PolarHBondContact O-N 2.8Å; T784-G786 VanDerWaalsContact C-N 3.27Å; T784-G786 PolarHBondContact O-N 2.87Å
787	H	24.2	Very low	25.7	Very low	172 Å²	172	112.5 Å²	112.5	80%	0.796	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	2.7	179.2	-74.8	-68.6	0	0	0	115.1	F785	F785-H787 PolarHBondContact O-N 3.24Å
788	I	24.6	Very low	25.1	Very low	70 Å²	70	117.9 Å²	117.9	36%	0.359	62%	0.619	S	S	.	*			trans	-110.8	69.5	178.5	-46.2	-176.3	0	0	0	110.5	F785 G790 W791	F785-I788 PolarHBondContact O-N 3.04Å; I788-G790 PolarHBondContact O-N 3.43Å; I788-W791 HydrophobicContact CG2-CB 4.15Å; I788-W791 HydrophobicContact CG2-CG 3.83Å; I788-W791 PolarHBondContact O-N 2.85Å
789	S	22.4	Very low	24.7	Very low	123 Å²	123	125.1 Å²	125.1	86%	0.86	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	120.4	172.4	56.3	0	0	0	0	110.6
790	G	23.2	Very low	24.5	Very low	73 Å²	73	129.9 Å²	129.9	75%	0.753	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	118.7	-15.7	-177	0	0	0	0	0	114.3	I788 E792	I788-G790 PolarHBondContact O-N 3.43Å; G790-E792 VanDerWaalsContact C-N 3.26Å; G790-E792 PolarHBondContact O-N 3.33Å
791	W	22.4	Very low	24.1	Very low	199 Å²	199	130.1 Å²	130.1	75%	0.754	66%	0.657	S	S	*	*			trans	-91.1	44.9	172.8	-77.8	60.5	0	0	0	112.6	I788 V793	I788-W791 HydrophobicContact CG2-CB 4.15Å; I788-W791 HydrophobicContact CG2-CG 3.83Å; I788-W791 PolarHBondContact O-N 2.85Å; W791-V793 HydrophobicContact CB-CG2 4.42Å; W791-V793 HydrophobicContact CD2-CG2 4.49Å; W791-V793 HydrophobicContact CE3-CG2 3.83Å; W791-V793 PolarHBondContact O-N 3.5Å
792	E	20.8	Very low	23.9	Very low	187 Å²	187	129.1 Å²	129.1	87%	0.874	68%	0.678	S	S	*	*			trans	-71.9	73	158.3	-74.2	-161.3	157.6	0	0	109.2	G790 N794	G790-E792 VanDerWaalsContact C-N 3.26Å; G790-E792 PolarHBondContact O-N 3.33Å; E792-N794 VanDerWaalsContact C-N 3.35Å; E792-N794 PolarHBondContact O-N 2.9Å
793	V	22.6	Very low	23.8	Very low	69 Å²	69	127 Å²	127	42%	0.418	69%	0.686	S	S	.	*			trans	-68.4	95	177.7	-179.2	0	0	0	0	108.2	W791 R795 W798	W791-V793 HydrophobicContact CB-CG2 4.42Å; W791-V793 HydrophobicContact CD2-CG2 4.49Å; W791-V793 HydrophobicContact CE3-CG2 3.83Å; W791-V793 PolarHBondContact O-N 3.5Å; V793-R795 PolarHBondContact O-N 3.39Å; V793-W798 HydrophobicContact CG1-CZ2 4.12Å
794	N	22.6	Very low	23.6	Very low	93 Å²	93	130.2 Å²	130.2	50%	0.497	70%	0.698	S	S	.	*			trans	-50.5	104	-177	-178.5	-13.3	0	0	0	110.8	E792 N796 N797	E792-N794 VanDerWaalsContact C-N 3.35Å; E792-N794 PolarHBondContact O-N 2.9Å; N794-N796 PolarHBondContact O-N 3.48Å; N794-N796 PolarHBondContact OD1-N 3.08Å; N794-N797 PolarHBondContact O-N 2.99Å
795	R	23.8	Very low	23.4	Very low	215 Å²	215	133.9 Å²	133.9	81%	0.811	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	-24.6	-167.9	-138.3	177.1	-170.8	-176.3	2.9	113.3	V793 W798	V793-R795 PolarHBondContact O-N 3.39Å; R795-W798 PolarHBondContact O-N 3.14Å
796	N	25.6	Very low	23.4	Very low	122 Å²	122	135.2 Å²	135.2	65%	0.652	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-29.9	-177.9	-60	-19.2	0	0	0	112.8	N794 W798 W799	N794-N796 PolarHBondContact O-N 3.48Å; N794-N796 PolarHBondContact OD1-N 3.08Å; N796-W798 VanDerWaalsContact C-N 3.28Å; N796-W798 PolarHBondContact O-N 3.24Å; N796-W799 PolarHBondContact O-N 3.16Å
797	N	25.6	Very low	23.3	Very low	97 Å²	97	137.5 Å²	137.5	52%	0.519	72%	0.717	S	S	.	*	G	3₁₀ helix	trans	-71.2	-23.4	178.5	-78.6	-1.2	0	0	0	112.8	N794 W799 L800	N794-N797 PolarHBondContact O-N 2.99Å; N797-W799 VanDerWaalsContact C-N 3.31Å; N797-W799 PolarHBondContact O-N 3.5Å; N797-L800 PolarHBondContact O-N 3.24Å
798	W	22.1	Very low	23.1	Very low	192 Å²	192	134.9 Å²	134.9	73%	0.727	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-72.8	-23.7	179.1	-78.7	48.6	0	0	0	112.8	V793 R795 N796 L800	V793-W798 HydrophobicContact CG1-CZ2 4.12Å; R795-W798 PolarHBondContact O-N 3.14Å; N796-W798 VanDerWaalsContact C-N 3.28Å; N796-W798 PolarHBondContact O-N 3.24Å; W798-L800 VanDerWaalsContact C-N 3.32Å
799	W	25.5	Very low	23	Very low	238 Å²	238	137.5 Å²	137.5	90%	0.902	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-76.5	-17	172.2	-85.6	58.2	0	0	0	113.6	N796 N797	N796-W799 PolarHBondContact O-N 3.16Å; N797-W799 VanDerWaalsContact C-N 3.31Å; N797-W799 PolarHBondContact O-N 3.5Å
800	L	25	Very low	22.9	Very low	139 Å²	139	139.5 Å²	139.5	73%	0.728	74%	0.737	S	S	*	*	S	Bend	trans	-90.7	-11.4	-179.6	-75.5	167.3	0	0	0	113.9	N797 W798	N797-L800 PolarHBondContact O-N 3.24Å; W798-L800 VanDerWaalsContact C-N 3.32Å
801	L	22.7	Very low	22.9	Very low	126 Å²	126	143.5 Å²	143.5	66%	0.66	74%	0.741	S	S	*	*			trans	-116.1	56.2	-177.3	-67.1	176	0	0	0	111.9	G803	L801-G803 PolarHBondContact O-N 3.4Å
802	G	22.8	Very low	22.8	Very low	81 Å²	81	146 Å²	146	84%	0.835	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	128.2	172.3	0	0	0	0	0	111.9
803	G	24.6	Very low	22.9	Very low	77 Å²	77	139.8 Å²	139.8	79%	0.794	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	105	6.4	172.3	0	0	0	0	0	116.9	L801	L801-G803 PolarHBondContact O-N 3.4Å
804	L	21.5	Very low	23	Very low	154 Å²	154	141.9 Å²	141.9	81%	0.806	75%	0.745	S	S	*	*			trans	-122.2	69	174.4	-71.7	175.9	0	0	0	112.5
805	E	24	Very low	23.3	Very low	163 Å²	163	144 Å²	144	76%	0.762	76%	0.756	S	S	*	*			trans	-72.5	153.7	159	-61.3	-172.7	140.8	0	0	110.8
806	F	21.9	Very low	23.4	Very low	180 Å²	180	141.8 Å²	141.8	79%	0.789	75%	0.754	S	S	*	*	S	Bend	trans	68.4	102.1	174.8	-54.5	-74.4	0	0	0	116.4
807	P	22	Very low	23.4	Very low	118 Å²	118	140.1 Å²	140.1	77%	0.766	75%	0.749	S	S	*	*			trans	-69.2	133.8	177.6	28.7	-34.2	0	0	0	111.9	V809	P807-V809 PolarHBondContact O-N 3.47Å
808	S	20.3	Very low	23.5	Very low	117 Å²	117	137.5 Å²	137.5	82%	0.818	74%	0.735	S	S	*	*			trans	-71.6	86.4	176.5	54.3	0	0	0	0	112	L810	S808-L810 PolarHBondContact O-N 3.02Å
809	V	22.1	Very low	23.8	Very low	125 Å²	125	131.1 Å²	131.1	76%	0.758	71%	0.71	S	S	*	*			trans	-77.9	109	170.5	-179.6	0	0	0	0	109.3	P807 L811	P807-V809 PolarHBondContact O-N 3.47Å; V809-L811 PolarHBondContact O-N 3.24Å
810	L	20.7	Very low	23.7	Very low	165 Å²	165	121.1 Å²	121.1	86%	0.864	68%	0.675	S	S	*	*			trans	-71.6	124.7	176.2	-78.6	161.3	0	0	0	110.9	S808 R812	S808-L810 PolarHBondContact O-N 3.02Å; L810-R812 PolarHBondContact O-N 2.85Å
811	L	21.3	Very low	23.7	Very low	156 Å²	156	118.3 Å²	118.3	82%	0.817	67%	0.667	S	S	*	*			trans	-68.3	120.4	175.3	-67.8	165.7	0	0	0	110.3	V809 G813	V809-L811 PolarHBondContact O-N 3.24Å; L811-G813 PolarHBondContact O-N 3.39Å
812	R	21.5	Very low	23.8	Very low	253 Å²	253	113.7 Å²	113.7	96%	0.955	64%	0.644	S	S	*	*			trans	-86.8	81.6	163.1	-166	176.3	-169.7	170	3.8	108.8	L810	L810-R812 PolarHBondContact O-N 2.85Å
813	G	22.4	Very low	23.7	Very low	55 Å²	55	114.3 Å²	114.3	57%	0.567	62%	0.623	S	S	*	*			trans	-62.5	143.9	172.3	0	0	0	0	0	111.6	L811	L811-G813 PolarHBondContact O-N 3.39Å
814	D	25.9	Very low	23.6	Very low	114 Å²	114	115.7 Å²	115.7	61%	0.61	61%	0.608	S	S	*	*			trans	-88.1	102	165	-177.6	-31.6	0	0	0	106.7	H816	D814-H816 PolarHBondContact O-N 3.44Å
815	D	27.6	Very low	23.7	Very low	137 Å²	137	112.1 Å²	112.1	73%	0.733	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	22	-165.6	52.9	-42	0	0	0	114
816	H	26.9	Very low	23.6	Very low	168 Å²	168	109.8 Å²	109.8	78%	0.778	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.8	-5.8	172.6	-68.2	-4.1	0	0	0	114.3	D814 N818	D814-H816 PolarHBondContact O-N 3.44Å; H816-N818 PolarHBondContact O-N 2.97Å
817	T	25.5	Very low	23.6	Very low	88 Å²	88	106.2 Å²	106.2	54%	0.54	58%	0.581	S	S	.	*			trans	-92.9	74.1	163.2	-47.5	0	0	0	0	109.4
818	N	27.3	Very low	23.6	Very low	41 Å²	41	104.7 Å²	104.7	22%	0.219	57%	0.571	C	S	.	*			trans	-80.3	-167.9	170.1	-149.4	-53.6	0	0	0	111	H816 E872 M873 G876 E877	H816-N818 PolarHBondContact O-N 2.97Å; N818-E872 CarbonylContact O-C 3.39Å; N818-M873 CarbonylContact C-O 3.32Å; N818-M873 WeakPolarHBondContact CB-O 3.35Å; N818-M873 VanDerWaalsContact CG-O 3.29Å; N818-M873 WeakPolarHBondContact O-CA 3.18Å; N818-M873 PolarHBondContact O-N 3Å; N818-M873 PolarHBondContact OD1-O 2.89Å; N818-G876 WeakPolarHBondContact OD1-CA 2.94Å; N818-G876 PolarHBondContact OD1-N 2.92Å; N818-E877 HydrophobicContact CB-CG 4.32Å; N818-E877 VanDerWaalsContact CG-CG 3.44Å; N818-E877 WeakPolarHBondContact ND2-CG 3.22Å; N818-E877 PolarHBondContact ND2-N 2.94Å; N818-E877 PolarHBondContact OD1-N 3.25Å
819	W	27.7	Very low	23.8	Very low	58 Å²	58	105.2 Å²	105.2	22%	0.22	56%	0.561	C	S	.	*	B	Isolated β-bridge	trans	-117.7	0	-170.5	-74.6	18.8	0	0	0	130.2	V822 L871 E872 M873 Q874 V875	W819-V822 HydrophobicContact CE3-CG1 4.42Å; W819-V822 HydrophobicContact CZ3-CG1 4.47Å; W819-L871 CarbonylContact C-O 3.56Å; W819-L871 CarbonylContact O-C 3.58Å; W819-L871 VanDerWaalsContact O-C 3.28Å; W819-E872 HydrophobicContact CB-CG 4.35Å; W819-E872 HydrophobicContact CD2-CG 4.34Å; W819-E872 HydrophobicContact CG-CG 3.73Å; W819-E872 PolarHBondContact NE1-OE1 2.98Å; W819-E872 PolarHBondContact O-N 3.49Å; W819-M873 PolarHBondContact N-O 3.27Å; W819-M873 CarbonylContact O-C 3.55Å; W819-Q874 CarbonylContact O-C 3.56Å; W819-Q874 WeakPolarHBondContact O-CA 3.48Å; W819-Q874 PolarHBondContact O-N 3.32Å; W819-V875 HydrophobicContact CB-CB 3.72Å; W819-V875 HydrophobicContact CE3-CB 4.11Å; W819-V875 HydrophobicContact CE3-CG1 3.87Å; W819-V875 PolarHBondContact O-N 3.04Å
820	N	24.4	Very low	24.1	Very low	29 Å²	29	108 Å²	108	16%	0.155	56%	0.559	C	S	.	*	S	Bend		0	5.7	0	-27.2	16.7	0	0	0	131.1	L871 E872 M873 Q874	N820-L871 VanDerWaalsContact CA-C 3.47Å; N820-L871 HydrophobicContact CB-CB 3.67Å; N820-L871 HydrophobicContact CB-CD1 4.09Å; N820-L871 HydrophobicContact CB-CG 4.49Å; N820-L871 WeakPolarHBondContact OD1-CA 3.39Å; N820-L871 PolarHBondContact OD1-N 3.06Å; N820-E872 CarbonylContact C-O 3.48Å; N820-E872 VanDerWaalsContact CA-N 3.33Å; N820-E872 WeakPolarHBondContact CA-O 3.46Å; N820-M873 VanDerWaalsContact CA-CB 3.45Å; N820-M873 HydrophobicContact CB-CB 3.82Å; N820-M873 HydrophobicContact CB-CE 4.28Å; N820-M873 WeakPolarHBondContact O-CE 3.46Å; N820-Q874 HydrophobicContact CB-CG 4.44Å; N820-Q874 VanDerWaalsContact ND2-CD 3.35Å; N820-Q874 PolarHBondContact ND2-OE1 2.94Å; N820-Q874 WeakPolarHBondContact OD1-CB 3.46Å; N820-Q874 WeakPolarHBondContact OD1-CG 3.46Å; N820-Q874 PolarHBondContact OD1-OE1 3.05Å; N820-Q874 VanDerWaalsContact OD1-OE1 3.06Å
821	S	24.1	Very low	24.4	Very low	80 Å²	80	105.7 Å²	105.7	56%	0.559	54%	0.544	S	S	*	.	S	Bend	trans	-155.9	2.8	171.4	-32.5	0	0	0	0	116.2	L871 E872	S821-L871 VanDerWaalsContact N-CA 3.27Å; S821-E872 VanDerWaalsContact C-CB 3.43Å; S821-E872 VanDerWaalsContact CA-CB 3.43Å; S821-E872 VanDerWaalsContact CB-CB 3.45Å; S821-E872 WeakPolarHBondContact CB-O 3.12Å; S821-E872 PolarHBondContact N-O 3.38Å; S821-E872 PolarHBondContact OG-O 2.77Å
822	V	25.4	Very low	24.7	Very low	29 Å²	29	101.3 Å²	101.3	18%	0.176	52%	0.52	C	S	.	.	S	Bend	trans	-120.9	-35.9	-167.2	138.2	0	0	0	0	118.2	W819 F824 S825 L871 E872	W819-V822 HydrophobicContact CE3-CG1 4.42Å; W819-V822 HydrophobicContact CZ3-CG1 4.47Å; V822-F824 PolarHBondContact O-N 3.41Å; V822-S825 VanDerWaalsContact O-CA 3.3Å; V822-S825 WeakPolarHBondContact O-CA 3.4Å; V822-S825 WeakPolarHBondContact O-CB 3.41Å; V822-S825 PolarHBondContact O-N 3.19Å; V822-S825 PolarHBondContact O-OG 3.29Å; V822-L871 VanDerWaalsContact N-CA 3.28Å; V822-E872 HydrophobicContact CB-CB 3.54Å; V822-E872 HydrophobicContact CB-CG 3.85Å; V822-E872 HydrophobicContact CG2-CB 3.66Å; V822-E872 HydrophobicContact CG2-CG 3.62Å; V822-E872 VanDerWaalsContact N-CB 3.29Å
823	F	20.8	Very low	25	Very low	93 Å²	93	92.6 Å²	92.6	41%	0.408	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-65.7	-12.1	-175.1	-118.9	-99.7	0	0	0	114.8	L826 L870 L871 V875	F823-L826 HydrophobicContact CD1-CD1 3.77Å; F823-L826 HydrophobicContact CD2-CD1 4.25Å; F823-L826 HydrophobicContact CE1-CD1 3.54Å; F823-L826 HydrophobicContact CE2-CD1 4.04Å; F823-L826 HydrophobicContact CG-CD1 4.12Å; F823-L826 HydrophobicContact CZ-CD1 3.68Å; F823-L870 CarbonylContact C-O 3.43Å; F823-L870 WeakPolarHBondContact CA-O 3.47Å; F823-L870 WeakPolarHBondContact CB-O 3.4Å; F823-L870 PolarHBondContact N-O 3.23Å; F823-L871 VanDerWaalsContact N-C 3.29Å; F823-L871 VanDerWaalsContact N-CA 3.31Å; F823-L871 PolarHBondContact N-O 3.43Å; F823-V875 HydrophobicContact CD2-CG2 4.15Å; F823-V875 HydrophobicContact CE2-CG2 4.22Å
824	F	22	Very low	25.4	Very low	106 Å²	106	93.6 Å²	93.6	47%	0.465	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-70.8	-29.1	160.7	-82.3	-71.5	0	0	0	113.1	V822 L826 T827 C869 L871	V822-F824 PolarHBondContact O-N 3.41Å; F824-L826 PolarHBondContact O-N 2.95Å; F824-L826 VanDerWaalsContact O-N 3.14Å; F824-T827 PolarHBondContact O-N 3Å; F824-T827 PolarHBondContact O-OG1 2.91Å; F824-T827 VanDerWaalsContact O-OG1 3.11Å; F824-C869 HydrophobicContact CD1-CB 3.62Å; F824-C869 HydrophobicContact CD2-CB 3.79Å; F824-C869 HydrophobicContact CE1-CB 3.51Å; F824-C869 VanDerWaalsContact CE1-SG 3.6Å; F824-C869 HydrophobicContact CE2-CB 3.68Å; F824-C869 HydrophobicContact CG-CB 3.76Å; F824-C869 HydrophobicContact CZ-CB 3.55Å; F824-L871 HydrophobicContact CD2-CD2 3.64Å; F824-L871 HydrophobicContact CD2-CG 3.78Å; F824-L871 HydrophobicContact CE2-CD1 4.42Å; F824-L871 HydrophobicContact CE2-CD2 3.98Å; F824-L871 HydrophobicContact CE2-CG 4.1Å
825	S	23.4	Very low	25.5	Very low	80 Å²	80	92.9 Å²	92.9	56%	0.559	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-78.7	19.8	174.8	84.6	0	0	0	0	114	V822	V822-S825 VanDerWaalsContact O-CA 3.3Å; V822-S825 WeakPolarHBondContact O-CA 3.4Å; V822-S825 WeakPolarHBondContact O-CB 3.41Å; V822-S825 PolarHBondContact O-N 3.19Å; V822-S825 PolarHBondContact O-OG 3.29Å
826	L	22.7	Very low	25.7	Very low	113 Å²	113	88.8 Å²	88.8	59%	0.592	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-94.9	1.3	160.3	-77.5	172.9	0	0	0	112.7	F823 F824	F823-L826 HydrophobicContact CD1-CD1 3.77Å; F823-L826 HydrophobicContact CD2-CD1 4.25Å; F823-L826 HydrophobicContact CE1-CD1 3.54Å; F823-L826 HydrophobicContact CE2-CD1 4.04Å; F823-L826 HydrophobicContact CG-CD1 4.12Å; F823-L826 HydrophobicContact CZ-CD1 3.68Å; F824-L826 PolarHBondContact O-N 2.95Å; F824-L826 VanDerWaalsContact O-N 3.14Å
827	T	21.1	Very low	26	Very low	106 Å²	106	84.1 Å²	84.1	65%	0.65	44%	0.438	S	S	*	.	S	Bend	trans	-57.1	130.2	154.4	48.4	0	0	0	0	108.5	F824 H829	F824-T827 PolarHBondContact O-N 3Å; F824-T827 PolarHBondContact O-OG1 2.91Å; F824-T827 VanDerWaalsContact O-OG1 3.11Å; T827-H829 PolarHBondContact O-N 2.96Å
828	P	22.3	Very low	26.3	Very low	86 Å²	86	88 Å²	88	56%	0.558	45%	0.447	S	S	*	.			trans	-58.5	139.2	-171.8	23.3	-33.8	0	0	0	111	Y830 I832	P828-Y830 PolarHBondContact O-N 3.08Å; P828-I832 HydrophobicContact CB-CG2 4.43Å
829	H	25.4	Very low	26.5	Very low	128 Å²	128	91.5 Å²	91.5	59%	0.593	47%	0.465	S	S	*	.			trans	-35.1	135.6	-179.9	-107.3	-94.6	0	0	0	112.3	T827 E831 I832 K833	T827-H829 PolarHBondContact O-N 2.96Å; H829-E831 WeakPolarHBondContact CB-OE2 3.34Å; H829-E831 IonicContact CE1-OE2 2.72Å; H829-E831 IonicContact CG-OE2 2.79Å; H829-E831 IonicContact ND1-OE1 2.96Å; H829-E831 PolarHBondContact ND1-OE1 2.89Å; H829-E831 IonicContact ND1-OE2 3.54Å; H829-E831 PolarHBondContact ND1-OE2 2.88Å; H829-E831 PolarHBondContact O-N 2.88Å; H829-E831 VanDerWaalsContact O-N 3.09Å; H829-I832 HydrophobicContact CB-CB 4.48Å; H829-I832 HydrophobicContact CB-CD1 3.96Å; H829-I832 HydrophobicContact CB-CG1 3.92Å; H829-I832 WeakPolarHBondContact O-CA 3.45Å; H829-I832 VanDerWaalsContact O-CB 3.29Å; H829-I832 WeakPolarHBondContact O-CB 3.41Å; H829-I832 PolarHBondContact O-N 3.22Å; H829-K833 PolarHBondContact O-N 2.93Å; H829-K833 VanDerWaalsContact O-N 3.11Å
830	Y	27	Very low	26.5	Very low	182 Å²	182	91.9 Å²	91.9	71%	0.714	49%	0.487	S	S	*	.	H	α-helix	trans	-59.9	-29.4	-174.3	-158.5	-94.9	0	0	0	111.6	P828 K833 I834	P828-Y830 PolarHBondContact O-N 3.08Å; Y830-K833 PolarHBondContact O-N 3.49Å; Y830-I834 HydrophobicContact CD1-CD1 3.69Å; Y830-I834 HydrophobicContact CD1-CG1 4.22Å; Y830-I834 HydrophobicContact CE1-CD1 3.97Å; Y830-I834 HydrophobicContact CE1-CG1 4.37Å; Y830-I834 WeakPolarHBondContact O-CG1 3.1Å; Y830-I834 PolarHBondContact O-N 3.24Å
831	E	27.9	Very low	26.8	Very low	118 Å²	118	96.3 Å²	96.3	55%	0.551	51%	0.509	S	S	*	.	H	α-helix	trans	-60.5	-40	169.6	-53.7	93	143.7	0	0	112.7	H829 I834 L835	H829-E831 WeakPolarHBondContact CB-OE2 3.34Å; H829-E831 IonicContact CE1-OE2 2.72Å; H829-E831 IonicContact CG-OE2 2.79Å; H829-E831 IonicContact ND1-OE1 2.96Å; H829-E831 PolarHBondContact ND1-OE1 2.89Å; H829-E831 IonicContact ND1-OE2 3.54Å; H829-E831 PolarHBondContact ND1-OE2 2.88Å; H829-E831 PolarHBondContact O-N 2.88Å; H829-E831 VanDerWaalsContact O-N 3.09Å; E831-I834 PolarHBondContact O-N 3.49Å; E831-L835 WeakPolarHBondContact O-CB 3.45Å; E831-L835 PolarHBondContact O-N 2.96Å
832	I	27.4	Very low	27	Very low	64 Å²	64	98.7 Å²	98.7	33%	0.328	51%	0.506	S	S	.	.	H	α-helix	trans	-68.5	-41.1	174.2	-58.8	176.6	0	0	0	110.2	P828 H829 I834 L835 L836	P828-I832 HydrophobicContact CB-CG2 4.43Å; H829-I832 HydrophobicContact CB-CB 4.48Å; H829-I832 HydrophobicContact CB-CD1 3.96Å; H829-I832 HydrophobicContact CB-CG1 3.92Å; H829-I832 WeakPolarHBondContact O-CA 3.45Å; H829-I832 VanDerWaalsContact O-CB 3.29Å; H829-I832 WeakPolarHBondContact O-CB 3.41Å; H829-I832 PolarHBondContact O-N 3.22Å; I832-I834 VanDerWaalsContact C-N 3.34Å; I832-I834 PolarHBondContact O-N 3.36Å; I832-L835 WeakPolarHBondContact O-CB 3.43Å; I832-L835 PolarHBondContact O-N 3.45Å; I832-L835 VanDerWaalsContact O-N 3.1Å; I832-L836 HydrophobicContact CG2-CD1 3.99Å; I832-L836 HydrophobicContact CG2-CG 4.19Å; I832-L836 WeakPolarHBondContact O-CG 3.45Å; I832-L836 PolarHBondContact O-N 3.11Å
833	K	28.4	Very low	27.4	Very low	69 Å²	69	100.5 Å²	100.5	30%	0.3	52%	0.52	S	S	.	.	H	α-helix	trans	-61.9	-44	174.6	-162.9	-168.9	179.8	-162.3	0	111.1	H829 Y830 L835 L836 V837 D844	H829-K833 PolarHBondContact O-N 2.93Å; H829-K833 VanDerWaalsContact O-N 3.11Å; Y830-K833 PolarHBondContact O-N 3.49Å; K833-L835 VanDerWaalsContact C-N 3.26Å; K833-L835 PolarHBondContact O-N 2.85Å; K833-L836 PolarHBondContact O-N 3.45Å; K833-V837 WeakPolarHBondContact O-CB 3.37Å; K833-V837 WeakPolarHBondContact O-CG2 3.41Å; K833-V837 PolarHBondContact O-N 3.16Å; K833-D844 WeakPolarHBondContact CE-OD1 3.36Å; K833-D844 IonicContact NZ-OD1 3.76Å; K833-D844 PolarHBondContact NZ-OD1 3.38Å; K833-D844 IonicContact NZ-OD2 2.64Å; K833-D844 PolarHBondContact NZ-OD2 3.16Å
834	I	30.4	Very low	28.4	Very low	76 Å²	76	101.1 Å²	101.1	39%	0.39	53%	0.528	S	S	.	.	H	α-helix	trans	-58	-39.9	172.5	-70.9	165.9	0	0	0	110.9	Y830 E831 I832 K838	Y830-I834 HydrophobicContact CD1-CD1 3.69Å; Y830-I834 HydrophobicContact CD1-CG1 4.22Å; Y830-I834 HydrophobicContact CE1-CD1 3.97Å; Y830-I834 HydrophobicContact CE1-CG1 4.37Å; Y830-I834 WeakPolarHBondContact O-CG1 3.1Å; Y830-I834 PolarHBondContact O-N 3.24Å; E831-I834 PolarHBondContact O-N 3.49Å; I832-I834 VanDerWaalsContact C-N 3.34Å; I832-I834 PolarHBondContact O-N 3.36Å; I834-K838 HydrophobicContact CG2-CD 4.09Å; I834-K838 WeakPolarHBondContact O-CB 3.27Å; I834-K838 VanDerWaalsContact O-CG 3.28Å; I834-K838 WeakPolarHBondContact O-CG 3.44Å; I834-K838 PolarHBondContact O-N 2.98Å
835	L	28.1	Very low	29.2	Very low	100 Å²	100	102.6 Å²	102.6	52%	0.524	54%	0.541	S	S	.	.	H	α-helix	trans	-67.4	-46.7	177.9	-151.5	81	0	0	0	112.3	E831 I832 K833 V837 K838 L839	E831-L835 WeakPolarHBondContact O-CB 3.45Å; E831-L835 PolarHBondContact O-N 2.96Å; I832-L835 WeakPolarHBondContact O-CB 3.43Å; I832-L835 PolarHBondContact O-N 3.45Å; I832-L835 VanDerWaalsContact O-N 3.1Å; K833-L835 VanDerWaalsContact C-N 3.26Å; K833-L835 PolarHBondContact O-N 2.85Å; L835-V837 VanDerWaalsContact C-N 3.34Å; L835-V837 PolarHBondContact O-N 2.9Å; L835-K838 CarbonylContact O-C 3.39Å; L835-K838 PolarHBondContact O-N 3.2Å; L835-L839 HydrophobicContact CD2-CD1 4.26Å; L835-L839 HydrophobicContact CG-CD1 4.15Å; L835-L839 WeakPolarHBondContact O-CB 3.34Å; L835-L839 VanDerWaalsContact O-CG 3.28Å; L835-L839 WeakPolarHBondContact O-CG 3.13Å; L835-L839 PolarHBondContact O-N 2.81Å
836	L	31.5	Very low	29.6	Very low	50 Å²	50	102 Å²	102	26%	0.262	55%	0.547	S	S	.	.	H	α-helix	trans	-66.7	-34.2	-179.9	-67.6	173.8	0	0	0	112.6	I832 K833 G840 I841 W842	I832-L836 HydrophobicContact CG2-CD1 3.99Å; I832-L836 HydrophobicContact CG2-CG 4.19Å; I832-L836 WeakPolarHBondContact O-CG 3.45Å; I832-L836 PolarHBondContact O-N 3.11Å; K833-L836 PolarHBondContact O-N 3.45Å; L836-G840 PolarHBondContact O-N 3.47Å; L836-G840 VanDerWaalsContact O-N 3.16Å; L836-I841 HydrophobicContact CD2-CB 4.14Å; L836-I841 HydrophobicContact CD2-CD1 4Å; L836-I841 HydrophobicContact CD2-CG2 4.2Å; L836-I841 PolarHBondContact O-N 2.93Å; L836-W842 HydrophobicContact CB-CB 3.89Å; L836-W842 PolarHBondContact O-N 3.49Å
837	V	33.6	Very low	29.7	Very low	71 Å²	71	107.5 Å²	107.5	43%	0.43	56%	0.56	S	S	.	*	H	α-helix	trans	-69.1	-42.5	170.7	171.6	0	0	0	0	110.9	K833 L835 L839 G840 W842	K833-V837 WeakPolarHBondContact O-CB 3.37Å; K833-V837 WeakPolarHBondContact O-CG2 3.41Å; K833-V837 PolarHBondContact O-N 3.16Å; L835-V837 VanDerWaalsContact C-N 3.34Å; L835-V837 PolarHBondContact O-N 2.9Å; V837-L839 VanDerWaalsContact C-N 3.3Å; V837-L839 PolarHBondContact O-N 3.42Å; V837-G840 PolarHBondContact O-N 2.92Å; V837-G840 VanDerWaalsContact O-N 3.14Å; V837-W842 HydrophobicContact CG2-CB 4.22Å; V837-W842 HydrophobicContact CG2-CG 4.47Å
838	K	32.3	Very low	30	Very low	170 Å²	170	113 Å²	113	74%	0.739	57%	0.569	S	S	*	*	H	α-helix	trans	-64.3	-31.5	174.6	-80.9	178.2	176	-180	0	113.6	I834 L835 G840	I834-K838 HydrophobicContact CG2-CD 4.09Å; I834-K838 WeakPolarHBondContact O-CB 3.27Å; I834-K838 VanDerWaalsContact O-CG 3.28Å; I834-K838 WeakPolarHBondContact O-CG 3.44Å; I834-K838 PolarHBondContact O-N 2.98Å; L835-K838 CarbonylContact O-C 3.39Å; L835-K838 PolarHBondContact O-N 3.2Å; K838-G840 VanDerWaalsContact C-N 3.33Å
839	L	29.8	Very low	30.3	Very low	114 Å²	114	114 Å²	114	60%	0.597	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-2.7	175.8	-67.7	171	0	0	0	113.1	L835 V837 I841	L835-L839 HydrophobicContact CD2-CD1 4.26Å; L835-L839 HydrophobicContact CG-CD1 4.15Å; L835-L839 WeakPolarHBondContact O-CB 3.34Å; L835-L839 VanDerWaalsContact O-CG 3.28Å; L835-L839 WeakPolarHBondContact O-CG 3.13Å; L835-L839 PolarHBondContact O-N 2.81Å; V837-L839 VanDerWaalsContact C-N 3.3Å; V837-L839 PolarHBondContact O-N 3.42Å; L839-I841 HydrophobicContact CB-CD1 3.89Å; L839-I841 HydrophobicContact CB-CG1 3.94Å; L839-I841 HydrophobicContact CD1-CD1 4.23Å; L839-I841 PolarHBondContact O-N 3Å
840	G	28	Very low	30.3	Very low	66 Å²	66	119.6 Å²	119.6	68%	0.68	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.3	11.1	179.8	0	0	0	0	0	115	L836 V837 K838	L836-G840 PolarHBondContact O-N 3.47Å; L836-G840 VanDerWaalsContact O-N 3.16Å; V837-G840 PolarHBondContact O-N 2.92Å; V837-G840 VanDerWaalsContact O-N 3.14Å; K838-G840 VanDerWaalsContact C-N 3.33Å
841	I	30.5	Very low	30.3	Very low	121 Å²	121	114.2 Å²	114.2	62%	0.621	58%	0.58	S	S	*	*	S	Bend	trans	-79.3	-26.2	-179.8	-55.5	175	0	0	0	110.6	L836 L839	L836-I841 HydrophobicContact CD2-CB 4.14Å; L836-I841 HydrophobicContact CD2-CD1 4Å; L836-I841 HydrophobicContact CD2-CG2 4.2Å; L836-I841 PolarHBondContact O-N 2.93Å; L839-I841 HydrophobicContact CB-CD1 3.89Å; L839-I841 HydrophobicContact CB-CG1 3.94Å; L839-I841 HydrophobicContact CD1-CD1 4.23Å; L839-I841 PolarHBondContact O-N 3Å
842	W	28.5	Very low	30.1	Very low	130 Å²	130	114 Å²	114	49%	0.492	59%	0.592	S	S	.	*			trans	-121.8	134.4	-179	-168.9	-79.8	0	0	0	112	L836 V837 D844	L836-W842 HydrophobicContact CB-CB 3.89Å; L836-W842 PolarHBondContact O-N 3.49Å; V837-W842 HydrophobicContact CG2-CB 4.22Å; V837-W842 HydrophobicContact CG2-CG 4.47Å; W842-D844 PolarHBondContact NE1-OD1 2.87Å
843	S	34.8	Very low	29.9	Very low	67 Å²	67	115.9 Å²	115.9	47%	0.469	61%	0.61	S	S	.	*			trans	-129.1	135.7	166.8	59.5	0	0	0	0	109.2	D845 G846	S843-D845 PolarHBondContact O-N 3.42Å; S843-G846 PolarHBondContact O-N 2.97Å
844	D	41	Very low	29.7	Very low	107 Å²	107	118 Å²	118	57%	0.572	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-8.1	-174.8	-79.8	-29.2	0	0	0	113.4	K833 W842 G846	K833-D844 WeakPolarHBondContact CE-OD1 3.36Å; K833-D844 IonicContact NZ-OD1 3.76Å; K833-D844 PolarHBondContact NZ-OD1 3.38Å; K833-D844 IonicContact NZ-OD2 2.64Å; K833-D844 PolarHBondContact NZ-OD2 3.16Å; W842-D844 PolarHBondContact NE1-OD1 2.87Å; D844-G846 PolarHBondContact O-N 2.97Å
845	D	38.9	Very low	29.4	Very low	137 Å²	137	120.4 Å²	120.4	73%	0.733	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-18.8	173	-51.9	68.3	0	0	0	113.4	S843 W847	S843-D845 PolarHBondContact O-N 3.42Å; D845-W847 PolarHBondContact O-N 2.96Å
846	G	31.4	Very low	29	Very low	67 Å²	67	124.7 Å²	124.7	69%	0.691	66%	0.657	S	S	*	*			trans	74.3	7.2	168.2	0	0	0	0	0	117.6	S843 D844	S843-G846 PolarHBondContact O-N 2.97Å; D844-G846 PolarHBondContact O-N 2.97Å
847	W	24.9	Very low	28.5	Very low	228 Å²	228	128.7 Å²	128.7	86%	0.864	68%	0.675	S	S	*	*			trans	-120.8	114.1	-174.6	-80.2	65.3	0	0	0	114.4	D845	D845-W847 PolarHBondContact O-N 2.96Å
848	W	26.9	Very low	28	Very low	223 Å²	223	133.6 Å²	133.6	85%	0.845	69%	0.685	S	S	*	*			trans	26.9	124.7	148.3	-103.7	62.9	0	0	0	120.8	R850	W848-R850 PolarHBondContact O-N 3.44Å
849	P	29.7	Very low	27.4	Very low	106 Å²	106	131.2 Å²	131.2	69%	0.688	69%	0.689	S	S	*	*			trans	-67.7	127.7	164	30.1	-33	0	0	0	110.8	S851	P849-S851 VanDerWaalsContact C-N 3.34Å; P849-S851 PolarHBondContact O-N 3.48Å
850	R	25.8	Very low	27.1	Very low	246 Å²	246	129.4 Å²	129.4	93%	0.928	70%	0.697	S	S	*	*			trans	-85.4	18	-168.3	-74.8	-174.9	169.6	-172.4	-2.6	116.3	W848	W848-R850 PolarHBondContact O-N 3.44Å
851	S	25.7	Very low	26.8	Very low	68 Å²	68	134 Å²	134	48%	0.476	71%	0.705	S	S	.	*			trans	-112.7	105.2	-177.7	53.7	0	0	0	0	112.2	P849 S853	P849-S851 VanDerWaalsContact C-N 3.34Å; P849-S851 PolarHBondContact O-N 3.48Å; S851-S853 PolarHBondContact O-N 3.19Å
852	S	25.3	Very low	26.3	Very low	114 Å²	114	135.9 Å²	135.9	80%	0.797	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	12.1	-178.5	55.3	0	0	0	0	115.4
853	S	23.3	Very low	26	Very low	103 Å²	103	137.4 Å²	137.4	72%	0.72	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-4.6	179.9	52.2	0	0	0	0	114.3	S851	S851-S853 PolarHBondContact O-N 3.19Å
854	T	23.4	Very low	25.3	Very low	114 Å²	114	139.8 Å²	139.8	70%	0.699	73%	0.734	S	S	*	*			trans	-116	54.3	175.1	54.9	0	0	0	0	111.4
855	L	23.3	Very low	24.5	Very low	126 Å²	126	140 Å²	140	66%	0.66	75%	0.745	S	S	*	*			trans	-77.4	153.4	154	-84.4	160.5	0	0	0	109
856	F	20.7	Very low	23.8	Very low	191 Å²	191	137 Å²	137	84%	0.838	75%	0.746	S	S	*	*			trans	68.2	123.3	-178.1	-49.9	-79.9	0	0	0	114
857	E	20.9	Very low	23.4	Very low	134 Å²	134	141.6 Å²	141.6	63%	0.626	76%	0.755	S	S	*	*			cis	-144.9	165.5	-9.7	-70.3	-154.3	95.4	0	0	107.7
858	R	22	Very low	23.3	Very low	173 Å²	173	138.8 Å²	138.8	65%	0.653	76%	0.756	S	S	*	*			cis	-150.5	-173	9.2	-140	166.4	-138.5	166	14.8	111.5
859	C	20.6	Very low	23.1	Very low	120 Å²	120	130.9 Å²	130.9	81%	0.811	73%	0.734	S	S	*	*			trans	-34.9	127.2	176.9	-51.8	0	0	0	0	117.8
860	G	22.5	Very low	22.8	Very low	76 Å²	76	130.7 Å²	130.7	78%	0.784	73%	0.726	S	S	*	*			trans	-134.8	159.3	163.2	0	0	0	0	0	110.8
861	I	22.1	Very low	22.7	Very low	164 Å²	164	121.2 Å²	121.2	84%	0.841	69%	0.694	S	S	*	*			trans	-87.2	136.3	-170.4	-64.2	171.8	0	0	0	111.8	I863	I861-I863 HydrophobicContact CG2-CG1 4.2Å
862	Q	21	Very low	22.6	Very low	160 Å²	160	121.1 Å²	121.1	75%	0.748	69%	0.686	S	S	*	*			trans	-93.8	136.7	171.4	178	177	-16.8	0	0	110.1	D864	Q862-D864 PolarHBondContact NE2-OD2 3.12Å
863	I	21.6	Very low	22.6	Very low	161 Å²	161	121.5 Å²	121.5	83%	0.826	68%	0.677	S	S	*	*			trans	-134.5	121.7	171.4	-59.1	179.7	0	0	0	107.3	I861	I861-I863 HydrophobicContact CG2-CG1 4.2Å
864	D	21	Very low	22.8	Very low	117 Å²	117	121.2 Å²	121.2	63%	0.626	66%	0.664	S	S	*	*			trans	-99.4	151.7	-173.6	-102.1	-65	0	0	0	113.6	Q862	Q862-D864 PolarHBondContact NE2-OD2 3.12Å
865	S	23.7	Very low	22.9	Very low	113 Å²	113	118 Å²	118	79%	0.79	65%	0.645	S	S	*	*			trans	57.1	102.3	174.2	67.4	0	0	0	0	117.3
866	G	24.4	Very low	22.9	Very low	74 Å²	74	112.9 Å²	112.9	76%	0.763	62%	0.622	S	S	*	*			trans	-78.2	128.3	166	0	0	0	0	0	112
867	N	23	Very low	23.1	Very low	163 Å²	163	109 Å²	109	87%	0.872	61%	0.606	S	S	*	*			trans	-173.7	-11.4	158.3	-98.9	-29.6	0	0	0	112.9
868	L	22.7	Very low	23.3	Very low	169 Å²	169	105.1 Å²	105.1	89%	0.885	59%	0.594	S	S	*	*			trans	-113.4	119.8	177.2	-65.8	169.5	0	0	0	110.7
869	C	22.6	Very low	23.5	Very low	57 Å²	57	101.5 Å²	101.5	39%	0.385	59%	0.587	S	S	.	*			trans	-133.3	148.2	154	-63.4	0	0	0	0	110.3	F824 L871	F824-C869 HydrophobicContact CD1-CB 3.62Å; F824-C869 HydrophobicContact CD2-CB 3.79Å; F824-C869 HydrophobicContact CE1-CB 3.51Å; F824-C869 VanDerWaalsContact CE1-SG 3.6Å; F824-C869 HydrophobicContact CE2-CB 3.68Å; F824-C869 HydrophobicContact CG-CB 3.76Å; F824-C869 HydrophobicContact CZ-CB 3.55Å; C869-L871 WeakPolarHBondContact O-CD1 3.43Å
870	L	22.8	Very low	23.7	Very low	101 Å²	101	100.5 Å²	100.5	53%	0.529	58%	0.582	S	S	.	*			trans	-82.5	179.3	164.9	-48.4	-179.2	0	0	0	108.8	F823	F823-L870 CarbonylContact C-O 3.43Å; F823-L870 WeakPolarHBondContact CA-O 3.47Å; F823-L870 WeakPolarHBondContact CB-O 3.4Å; F823-L870 PolarHBondContact N-O 3.23Å
871	L	24.7	Very low	23.9	Very low	48 Å²	48	98.8 Å²	98.8	25%	0.251	56%	0.56	S	S	.	*			trans	-133.6	0	-162	-44.7	91.1	0	0	0	116.3	W819 N820 S821 V822 F823 F824 C869	W819-L871 CarbonylContact C-O 3.56Å; W819-L871 CarbonylContact O-C 3.58Å; W819-L871 VanDerWaalsContact O-C 3.28Å; N820-L871 VanDerWaalsContact CA-C 3.47Å; N820-L871 HydrophobicContact CB-CB 3.67Å; N820-L871 HydrophobicContact CB-CD1 4.09Å; N820-L871 HydrophobicContact CB-CG 4.49Å; N820-L871 WeakPolarHBondContact OD1-CA 3.39Å; N820-L871 PolarHBondContact OD1-N 3.06Å; S821-L871 VanDerWaalsContact N-CA 3.27Å; V822-L871 VanDerWaalsContact N-CA 3.28Å; F823-L871 VanDerWaalsContact N-C 3.29Å; F823-L871 VanDerWaalsContact N-CA 3.31Å; F823-L871 PolarHBondContact N-O 3.43Å; F824-L871 HydrophobicContact CD2-CD2 3.64Å; F824-L871 HydrophobicContact CD2-CG 3.78Å; F824-L871 HydrophobicContact CE2-CD1 4.42Å; F824-L871 HydrophobicContact CE2-CD2 3.98Å; F824-L871 HydrophobicContact CE2-CG 4.1Å; C869-L871 WeakPolarHBondContact O-CD1 3.43Å
872	E	23.9	Very low	24.2	Very low	65 Å²	65	101.1 Å²	101.1	30%	0.304	56%	0.558	S	S	.	*	S	Bend		0	0	0	-106	-174.4	-173.5	0	0	133.5	N818 W819 N820 S821 V822	N818-E872 CarbonylContact O-C 3.39Å; W819-E872 HydrophobicContact CB-CG 4.35Å; W819-E872 HydrophobicContact CD2-CG 4.34Å; W819-E872 HydrophobicContact CG-CG 3.73Å; W819-E872 PolarHBondContact NE1-OE1 2.98Å; W819-E872 PolarHBondContact O-N 3.49Å; N820-E872 CarbonylContact C-O 3.48Å; N820-E872 VanDerWaalsContact CA-N 3.33Å; N820-E872 WeakPolarHBondContact CA-O 3.46Å; S821-E872 VanDerWaalsContact C-CB 3.43Å; S821-E872 VanDerWaalsContact CA-CB 3.43Å; S821-E872 VanDerWaalsContact CB-CB 3.45Å; S821-E872 WeakPolarHBondContact CB-O 3.12Å; S821-E872 PolarHBondContact N-O 3.38Å; S821-E872 PolarHBondContact OG-O 2.77Å; V822-E872 HydrophobicContact CB-CB 3.54Å; V822-E872 HydrophobicContact CB-CG 3.85Å; V822-E872 HydrophobicContact CG2-CB 3.66Å; V822-E872 HydrophobicContact CG2-CG 3.62Å; V822-E872 VanDerWaalsContact N-CB 3.29Å
873	M	24.5	Very low	24.4	Very low	123 Å²	123	99.2 Å²	99.2	61%	0.606	55%	0.553	S	S	*	*	S	Bend		0	-77.7	0	-34.2	173.2	-85.1	0	0	135.8	N818 W819 N820	N818-M873 CarbonylContact C-O 3.32Å; N818-M873 WeakPolarHBondContact CB-O 3.35Å; N818-M873 VanDerWaalsContact CG-O 3.29Å; N818-M873 WeakPolarHBondContact O-CA 3.18Å; N818-M873 PolarHBondContact O-N 3Å; N818-M873 PolarHBondContact OD1-O 2.89Å; W819-M873 PolarHBondContact N-O 3.27Å; W819-M873 CarbonylContact O-C 3.55Å; N820-M873 VanDerWaalsContact CA-CB 3.45Å; N820-M873 HydrophobicContact CB-CB 3.82Å; N820-M873 HydrophobicContact CB-CE 4.28Å; N820-M873 WeakPolarHBondContact O-CE 3.46Å
874	Q	27.2	Very low	24.8	Very low	96 Å²	96	95.9 Å²	95.9	45%	0.449	54%	0.543	S	S	.	.	B	Isolated β-bridge	trans	-67.4	-57.5	-179	-64.8	175.8	-43.3	0	0	120.6	W819 N820 G876 E877	W819-Q874 CarbonylContact O-C 3.56Å; W819-Q874 WeakPolarHBondContact O-CA 3.48Å; W819-Q874 PolarHBondContact O-N 3.32Å; N820-Q874 HydrophobicContact CB-CG 4.44Å; N820-Q874 VanDerWaalsContact ND2-CD 3.35Å; N820-Q874 PolarHBondContact ND2-OE1 2.94Å; N820-Q874 WeakPolarHBondContact OD1-CB 3.46Å; N820-Q874 WeakPolarHBondContact OD1-CG 3.46Å; N820-Q874 PolarHBondContact OD1-OE1 3.05Å; N820-Q874 VanDerWaalsContact OD1-OE1 3.06Å; Q874-G876 VanDerWaalsContact C-N 3.27Å; Q874-G876 PolarHBondContact O-N 3.25Å; Q874-G876 VanDerWaalsContact O-N 3.08Å; Q874-E877 PolarHBondContact O-N 3.12Å
875	V	25.1	Very low	25.2	Very low	48 Å²	48	91.3 Å²	91.3	29%	0.291	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-25	-163	172.4	0	0	0	0	114.9	W819 F823	W819-V875 HydrophobicContact CB-CB 3.72Å; W819-V875 HydrophobicContact CE3-CB 4.11Å; W819-V875 HydrophobicContact CE3-CG1 3.87Å; W819-V875 PolarHBondContact O-N 3.04Å; F823-V875 HydrophobicContact CD2-CG2 4.15Å; F823-V875 HydrophobicContact CE2-CG2 4.22Å
876	G	23.8	Very low	25.5	Very low	18 Å²	18	90.3 Å²	90.3	19%	0.186	51%	0.51	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-17.9	178.2	0	0	0	0	0	113.6	N818 Q874 S878 L879	N818-G876 WeakPolarHBondContact OD1-CA 2.94Å; N818-G876 PolarHBondContact OD1-N 2.92Å; Q874-G876 VanDerWaalsContact C-N 3.27Å; Q874-G876 PolarHBondContact O-N 3.25Å; Q874-G876 VanDerWaalsContact O-N 3.08Å; G876-S878 VanDerWaalsContact C-N 3.3Å; G876-L879 PolarHBondContact O-N 3.32Å
877	E	25.1	Very low	25.6	Very low	108 Å²	108	93.6 Å²	93.6	51%	0.505	50%	0.5	S	S	.	.	H	α-helix	trans	-68.3	-38.5	171.2	-65.7	-165.2	147.2	0	0	108.8	N818 Q874 L879 S880	N818-E877 HydrophobicContact CB-CG 4.32Å; N818-E877 VanDerWaalsContact CG-CG 3.44Å; N818-E877 WeakPolarHBondContact ND2-CG 3.22Å; N818-E877 PolarHBondContact ND2-N 2.94Å; N818-E877 PolarHBondContact OD1-N 3.25Å; Q874-E877 PolarHBondContact O-N 3.12Å; E877-L879 PolarHBondContact O-N 3.06Å; E877-S880 WeakPolarHBondContact O-CB 3.46Å; E877-S880 PolarHBondContact O-N 2.79Å; E877-S880 VanDerWaalsContact O-N 3.11Å; E877-S880 PolarHBondContact O-OG 3.32Å
878	S	25.2	Very low	26	Very low	54 Å²	54	88.2 Å²	88.2	38%	0.378	48%	0.478	S	S	.	.	H	α-helix	trans	-58	-30.1	172	-50.6	0	0	0	0	113.7	G876 S880 A881	G876-S878 VanDerWaalsContact C-N 3.3Å; S878-S880 VanDerWaalsContact C-N 3.31Å; S878-S880 PolarHBondContact O-N 3.08Å; S878-A881 PolarHBondContact O-N 3.08Å
879	L	25.6	Very low	26.1	Very low	96 Å²	96	84.3 Å²	84.3	50%	0.503	46%	0.461	S	S	.	.	H	α-helix	trans	-73.9	-19	178.7	-68.2	176.4	0	0	0	113.6	G876 E877 A881	G876-L879 PolarHBondContact O-N 3.32Å; E877-L879 PolarHBondContact O-N 3.06Å; L879-A881 VanDerWaalsContact C-N 3.29Å
880	S	26.3	Very low	26.6	Very low	100 Å²	100	84.8 Å²	84.8	70%	0.699	46%	0.456	S	S	*	.	H	α-helix	trans	-73.8	-23.4	172.4	73.8	0	0	0	0	112.8	E877 S878 R882	E877-S880 WeakPolarHBondContact O-CB 3.46Å; E877-S880 PolarHBondContact O-N 2.79Å; E877-S880 VanDerWaalsContact O-N 3.11Å; E877-S880 PolarHBondContact O-OG 3.32Å; S878-S880 VanDerWaalsContact C-N 3.31Å; S878-S880 PolarHBondContact O-N 3.08Å; S880-R882 PolarHBondContact O-N 2.73Å; S880-R882 VanDerWaalsContact O-N 3.14Å
881	A	26	Very low	26.8	Very low	39 Å²	39	86.1 Å²	86.1	32%	0.322	46%	0.458	S	S	.	.	S	Bend	trans	-92.1	57.2	-166.2	0	0	0	0	0	113.8	S878 L879 N883 C884	S878-A881 PolarHBondContact O-N 3.08Å; L879-A881 VanDerWaalsContact C-N 3.29Å; A881-N883 PolarHBondContact O-N 3.24Å; A881-C884 HydrophobicContact CB-CB 3.93Å; A881-C884 WeakPolarHBondContact O-CB 3.4Å; A881-C884 PolarHBondContact O-N 2.61Å; A881-C884 PolarHBondContact O-SG 2.79Å
882	R	28.3	Very low	27.2	Very low	213 Å²	213	86.6 Å²	86.6	80%	0.804	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	29.3	-75.1	168.9	-81.4	-179.1	165.8	172.5	-3.9	118	S880	S880-R882 PolarHBondContact O-N 2.73Å; S880-R882 VanDerWaalsContact O-N 3.14Å
883	N	25.9	Very low	27.6	Very low	120 Å²	120	88.7 Å²	88.7	64%	0.642	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-1.8	-173.4	-70.5	-12.1	0	0	0	114.6	A881 Y920	A881-N883 PolarHBondContact O-N 3.24Å; N883-Y920 PolarHBondContact OD1-OH 3.08Å
884	C	28.6	Very low	27.8	Very low	91 Å²	91	86.8 Å²	86.8	62%	0.615	45%	0.454	S	S	*	.			trans	-98.2	16	-170	-49.8	0	0	0	0	113.8	A881	A881-C884 HydrophobicContact CB-CB 3.93Å; A881-C884 WeakPolarHBondContact O-CB 3.4Å; A881-C884 PolarHBondContact O-N 2.61Å; A881-C884 PolarHBondContact O-SG 2.79Å
885	V	30.8	Very low	28.2	Very low	22 Å²	22	88.3 Å²	88.3	13%	0.133	48%	0.475	C	S	.	.			trans	-64.8	126	175.9	-176.8	0	0	0	0	109.1	R887 I905	V885-R887 WeakPolarHBondContact O-CG 3.49Å; V885-R887 PolarHBondContact O-N 2.84Å; V885-I905 HydrophobicContact CG1-CG2 3.68Å
886	P	28.4	Very low	28.5	Very low	92 Å²	92	94.4 Å²	94.4	60%	0.597	50%	0.5	S	S	*	.			trans	-64.8	125.4	-178.9	25.9	-33.9	0	0	0	110.7
887	R	27.9	Very low	29	Very low	143 Å²	143	97 Å²	97	54%	0.54	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.8	-179.4	-49.4	-168.4	-171.5	-175.4	-1.3	109.7	V885 E903	V885-R887 WeakPolarHBondContact O-CG 3.49Å; V885-R887 PolarHBondContact O-N 2.84Å; R887-E903 HydrophobicContact CB-CG 4.23Å; R887-E903 WeakPolarHBondContact CD-OE1 3.27Å; R887-E903 IonicContact CZ-OE1 2.65Å; R887-E903 IonicContact NE-OE1 3.33Å; R887-E903 VanDerWaalsContact NH1-CD 3.34Å; R887-E903 IonicContact NH1-OE1 3.67Å; R887-E903 PolarHBondContact NH1-OE1 3.21Å; R887-E903 IonicContact NH1-OE2 3Å; R887-E903 PolarHBondContact NH1-OE2 2.88Å
888	A	30	Very low	29	Very low	50 Å²	50	99.4 Å²	99.4	41%	0.413	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	135.5	173.1	0	0	0	0	0	109.2	A904	A888-A904 PolarHBondContact N-O 2.81Å; A888-A904 PolarHBondContact O-N 3.15Å; A888-A904 VanDerWaalsContact O-O 3.05Å
889	V	26.1	Very low	29.3	Very low	87 Å²	87	104.1 Å²	104.1	53%	0.527	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	115.8	167.1	177.8	0	0	0	0	107.6	P901	V889-P901 HydrophobicContact CG1-CB 3.42Å; V889-P901 VanDerWaalsContact CG1-CB 3.42Å
890	F	33	Very low	29.4	Very low	66 Å²	66	103 Å²	103	29%	0.289	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	144.5	172.9	76.2	-74	0	0	0	109.4	H892 R902 A904	F890-H892 HydrophobicContact CE2-CB 4.18Å; F890-R902 HydrophobicContact CD1-CB 4.11Å; F890-R902 WeakPolarHBondContact CD1-O 3.33Å; F890-R902 HydrophobicContact CE1-CB 3.49Å; F890-R902 VanDerWaalsContact CE1-CB 3.49Å; F890-R902 HydrophobicContact CE2-CB 4.4Å; F890-R902 HydrophobicContact CZ-CB 3.67Å; F890-R902 PolarHBondContact N-O 3.35Å; F890-R902 PolarHBondContact O-N 3.26Å; F890-R902 VanDerWaalsContact O-O 3.08Å; F890-A904 HydrophobicContact CD1-CB 3.48Å; F890-A904 VanDerWaalsContact CD1-CB 3.48Å; F890-A904 HydrophobicContact CE1-CB 3.69Å
891	F	26.6	Very low	29.5	Very low	129 Å²	129	102.1 Å²	102.1	57%	0.566	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	126.1	179.4	-64.9	-87.4	0	0	0	109.5	W899 P901	F891-W899 HydrophobicContact CB-CD2 4.36Å; F891-W899 HydrophobicContact CB-CE3 3.62Å; F891-W899 HydrophobicContact CB-CZ3 4.11Å; F891-W899 WeakPolarHBondContact O-CZ3 3.37Å; F891-P901 HydrophobicContact CD1-CB 4.15Å; F891-P901 HydrophobicContact CE1-CB 3.9Å; F891-P901 HydrophobicContact CE1-CG 4.5Å
892	H	33.8	Very low	29.8	Very low	58 Å²	58	104 Å²	104	27%	0.269	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	147.7	-176.8	175.6	-87.1	0	0	0	110.7	F890 E894 W899 L900 R902	F890-H892 HydrophobicContact CE2-CB 4.18Å; H892-E894 IonicContact CE1-OE1 3.94Å; H892-E894 IonicContact ND1-OE1 3.25Å; H892-W899 WeakPolarHBondContact O-CA 3.35Å; H892-L900 PolarHBondContact N-O 3.47Å; H892-L900 PolarHBondContact O-N 2.7Å; H892-R902 HydrophobicContact CB-CG 4.23Å
893	Y	31	Very low	29.9	Very low	109 Å²	109	97.7 Å²	97.7	43%	0.427	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	93	-176.8	-147.2	-95.5	0	0	0	110.4	C895 W899	Y893-C895 PolarHBondContact O-N 2.87Å; Y893-W899 AromaticContact CD2-CD2 3.89Å; Y893-W899 HydrophobicContact CD2-CD2 3.89Å; Y893-W899 AromaticContact CD2-CE2 3.9Å; Y893-W899 HydrophobicContact CD2-CE3 4.01Å; Y893-W899 HydrophobicContact CD2-CG 4.5Å; Y893-W899 HydrophobicContact CD2-CH2 4.25Å; Y893-W899 HydrophobicContact CD2-CZ2 4.1Å; Y893-W899 HydrophobicContact CD2-CZ3 4.2Å; Y893-W899 HydrophobicContact CE2-CD2 4.35Å; Y893-W899 HydrophobicContact CE2-CZ2 4.33Å
894	E	28.8	Very low	30.3	Very low	83 Å²	83	93 Å²	93	39%	0.388	48%	0.48	S	S	.	.			trans	-94.7	85.9	-171.1	-156.5	162	-94.3	0	0	111.8	H892 Q896 L900 R902	H892-E894 IonicContact CE1-OE1 3.94Å; H892-E894 IonicContact ND1-OE1 3.25Å; E894-Q896 PolarHBondContact O-N 3.41Å; E894-L900 HydrophobicContact CB-CD1 4.31Å; E894-R902 IonicContact OE1-CZ 3.23Å; E894-R902 IonicContact OE1-NE 3.47Å; E894-R902 IonicContact OE1-NH2 3.24Å; E894-R902 PolarHBondContact OE1-NH2 3.25Å
895	C	35.2	Very low	30.5	Very low	129 Å²	129	89.7 Å²	89.7	87%	0.872	46%	0.456	S	S	*	.	S	Bend	trans	54.5	-20.8	168.4	-62.3	0	0	0	0	120.5	Y893	Y893-C895 PolarHBondContact O-N 2.87Å
896	Q	32.7	Very low	30.6	Very low	176 Å²	176	92.4 Å²	92.4	82%	0.822	48%	0.481	S	S	*	.	S	Bend	trans	-139.3	53.2	-175.7	-67.7	-168.5	-12.8	0	0	112.7	E894 K898	E894-Q896 PolarHBondContact O-N 3.41Å; Q896-K898 PolarHBondContact O-N 3.08Å
897	A	34.1	Very low	30.8	Very low	72 Å²	72	90.7 Å²	90.7	60%	0.595	46%	0.464	S	S	*	.	S	Bend	trans	56.8	15.7	166.8	0	0	0	0	0	117.9
898	K	25.9	Very low	30.8	Very low	159 Å²	159	86.8 Å²	86.8	69%	0.691	47%	0.468	S	S	*	.			trans	-101.3	127.4	165.3	-84.3	-174.6	173.6	179.1	0	110.9	Q896 L900	Q896-K898 PolarHBondContact O-N 3.08Å; K898-L900 PolarHBondContact O-N 3.39Å
899	W	29.9	Very low	30.7	Very low	152 Å²	152	84.6 Å²	84.6	58%	0.576	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	124.9	160.2	-68	106.5	0	0	0	109.2	F891 H892 Y893	F891-W899 HydrophobicContact CB-CD2 4.36Å; F891-W899 HydrophobicContact CB-CE3 3.62Å; F891-W899 HydrophobicContact CB-CZ3 4.11Å; F891-W899 WeakPolarHBondContact O-CZ3 3.37Å; H892-W899 WeakPolarHBondContact O-CA 3.35Å; Y893-W899 AromaticContact CD2-CD2 3.89Å; Y893-W899 HydrophobicContact CD2-CD2 3.89Å; Y893-W899 AromaticContact CD2-CE2 3.9Å; Y893-W899 HydrophobicContact CD2-CE3 4.01Å; Y893-W899 HydrophobicContact CD2-CG 4.5Å; Y893-W899 HydrophobicContact CD2-CH2 4.25Å; Y893-W899 HydrophobicContact CD2-CZ2 4.1Å; Y893-W899 HydrophobicContact CD2-CZ3 4.2Å; Y893-W899 HydrophobicContact CE2-CD2 4.35Å; Y893-W899 HydrophobicContact CE2-CZ2 4.33Å
900	L	28.9	Very low	30.8	Very low	73 Å²	73	83.5 Å²	83.5	38%	0.382	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.7	168.8	-67.7	177.3	0	0	0	108.9	H892 E894 K898 R902	H892-L900 PolarHBondContact N-O 3.47Å; H892-L900 PolarHBondContact O-N 2.7Å; E894-L900 HydrophobicContact CB-CD1 4.31Å; K898-L900 PolarHBondContact O-N 3.39Å; L900-R902 PolarHBondContact O-N 2.79Å
901	P	28.9	Very low	30.8	Very low	81 Å²	81	88 Å²	88	53%	0.526	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	123.7	170.4	26.9	-31.6	0	0	0	109.3	V889 F891	V889-P901 HydrophobicContact CG1-CB 3.42Å; V889-P901 VanDerWaalsContact CG1-CB 3.42Å; F891-P901 HydrophobicContact CD1-CB 4.15Å; F891-P901 HydrophobicContact CE1-CB 3.9Å; F891-P901 HydrophobicContact CE1-CG 4.5Å
902	R	30.9	Very low	31.2	Very low	78 Å²	78	83.2 Å²	83.2	29%	0.294	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	143.3	163.9	-78	-167.5	176	-142.5	11.3	109.3	F890 H892 E894 L900 R940	F890-R902 HydrophobicContact CD1-CB 4.11Å; F890-R902 WeakPolarHBondContact CD1-O 3.33Å; F890-R902 HydrophobicContact CE1-CB 3.49Å; F890-R902 VanDerWaalsContact CE1-CB 3.49Å; F890-R902 HydrophobicContact CE2-CB 4.4Å; F890-R902 HydrophobicContact CZ-CB 3.67Å; F890-R902 PolarHBondContact N-O 3.35Å; F890-R902 PolarHBondContact O-N 3.26Å; F890-R902 VanDerWaalsContact O-O 3.08Å; H892-R902 HydrophobicContact CB-CG 4.23Å; E894-R902 IonicContact OE1-CZ 3.23Å; E894-R902 IonicContact OE1-NE 3.47Å; E894-R902 IonicContact OE1-NH2 3.24Å; E894-R902 PolarHBondContact OE1-NH2 3.25Å; L900-R902 PolarHBondContact O-N 2.79Å; R902-R940 PolarHBondContact NH1-O 3.4Å
903	E	31.2	Very low	31.1	Very low	82 Å²	82	81 Å²	81	38%	0.383	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	129.8	173.1	-159.4	170.5	-135	0	0	108.1	R887 F941	R887-E903 HydrophobicContact CB-CG 4.23Å; R887-E903 WeakPolarHBondContact CD-OE1 3.27Å; R887-E903 IonicContact CZ-OE1 2.65Å; R887-E903 IonicContact NE-OE1 3.33Å; R887-E903 VanDerWaalsContact NH1-CD 3.34Å; R887-E903 IonicContact NH1-OE1 3.67Å; R887-E903 PolarHBondContact NH1-OE1 3.21Å; R887-E903 IonicContact NH1-OE2 3Å; R887-E903 PolarHBondContact NH1-OE2 2.88Å; E903-F941 VanDerWaalsContact O-CD1 3.24Å; E903-F941 WeakPolarHBondContact O-CD1 3.47Å
904	A	33.3	Very low	31.2	Very low	21 Å²	21	80.3 Å²	80.3	17%	0.174	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	147.4	167.5	0	0	0	0	0	109	A888 F890	A888-A904 PolarHBondContact N-O 2.81Å; A888-A904 PolarHBondContact O-N 3.15Å; A888-A904 VanDerWaalsContact O-O 3.05Å; F890-A904 HydrophobicContact CD1-CB 3.48Å; F890-A904 VanDerWaalsContact CD1-CB 3.48Å; F890-A904 HydrophobicContact CE1-CB 3.69Å
905	I	32.5	Very low	31.5	Very low	21 Å²	21	80.9 Å²	80.9	11%	0.108	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.2	170.5	-57.5	167.5	0	0	0	105.9	V885 F907 F941	V885-I905 HydrophobicContact CG1-CG2 3.68Å; I905-F907 HydrophobicContact CB-CD2 4.3Å; I905-F907 HydrophobicContact CB-CE2 3.56Å; I905-F907 HydrophobicContact CB-CZ 3.8Å; I905-F907 HydrophobicContact CD1-CZ 4.46Å; I905-F907 HydrophobicContact CG2-CD1 4.41Å; I905-F907 HydrophobicContact CG2-CD2 4.24Å; I905-F907 HydrophobicContact CG2-CE1 3.78Å; I905-F907 HydrophobicContact CG2-CE2 3.56Å; I905-F907 HydrophobicContact CG2-CZ 3.31Å; I905-F907 WeakPolarHBondContact O-CD2 3.34Å; I905-F907 PolarHBondContact O-N 2.83Å; I905-F941 HydrophobicContact CD1-CD1 4.39Å; I905-F941 HydrophobicContact CD1-CE1 3.71Å; I905-F941 HydrophobicContact CD1-CZ 3.9Å; I905-F941 HydrophobicContact CG1-CD1 4.3Å; I905-F941 HydrophobicContact CG1-CE1 3.91Å
906	A	33.8	Very low	31.4	Very low	80 Å²	80	77.1 Å²	77.1	66%	0.661	41%	0.405	S	S	*	.			trans	-75.4	119.8	-178.7	0	0	0	0	0	109.6
907	F	32.4	Very low	31.2	Very low	56 Å²	56	69 Å²	69	25%	0.246	37%	0.367	C	S	.	.			trans	-121.5	130.4	177.5	-65.3	-68.1	0	0	0	109.6	I905 G909 Q912 L913 H916	I905-F907 HydrophobicContact CB-CD2 4.3Å; I905-F907 HydrophobicContact CB-CE2 3.56Å; I905-F907 HydrophobicContact CB-CZ 3.8Å; I905-F907 HydrophobicContact CD1-CZ 4.46Å; I905-F907 HydrophobicContact CG2-CD1 4.41Å; I905-F907 HydrophobicContact CG2-CD2 4.24Å; I905-F907 HydrophobicContact CG2-CE1 3.78Å; I905-F907 HydrophobicContact CG2-CE2 3.56Å; I905-F907 HydrophobicContact CG2-CZ 3.31Å; I905-F907 WeakPolarHBondContact O-CD2 3.34Å; I905-F907 PolarHBondContact O-N 2.83Å; F907-G909 PolarHBondContact O-N 2.88Å; F907-Q912 HydrophobicContact CB-CB 4.21Å; F907-Q912 HydrophobicContact CD1-CB 3.38Å; F907-Q912 HydrophobicContact CE1-CB 4.03Å; F907-Q912 HydrophobicContact CG-CB 4.1Å; F907-L913 HydrophobicContact CD2-CB 3.72Å; F907-L913 HydrophobicContact CD2-CD1 4.1Å; F907-L913 HydrophobicContact CD2-CG 4.44Å; F907-L913 HydrophobicContact CE2-CB 3.72Å; F907-L913 HydrophobicContact CE2-CD1 3.46Å; F907-L913 VanDerWaalsContact CE2-CD1 3.46Å; F907-L913 HydrophobicContact CE2-CG 4.18Å; F907-L913 HydrophobicContact CG-CB 4.24Å; F907-L913 HydrophobicContact CZ-CB 4.24Å; F907-L913 HydrophobicContact CZ-CD1 4.18Å; F907-H916 HydrophobicContact CE1-CB 4.22Å; F907-H916 HydrophobicContact CZ-CB 3.99Å
908	G	29.1	Very low	31	Very low	60 Å²	60	66.2 Å²	66.2	62%	0.619	35%	0.346	S	S	*	.	S	Bend	trans	-77.1	-9.2	173.3	0	0	0	0	0	113.5
909	G	27.7	Very low	31.3	Very low	5 Å²	5	64.6 Å²	64.6	5%	0.052	34%	0.341	C	S	.	.	S	Bend	trans	-154.1	140.8	177.3	0	0	0	0	0	112.9	F907 W911 Q912	F907-G909 PolarHBondContact O-N 2.88Å; G909-W911 PolarHBondContact O-N 3.23Å; G909-Q912 WeakPolarHBondContact O-CB 3.4Å; G909-Q912 PolarHBondContact O-N 3Å
910	P	28	Very low	31.3	Very low	64 Å²	64	61.4 Å²	61.4	42%	0.416	33%	0.329	S	S	.	.	H	α-helix	trans	-57.7	-21.2	-178	-27.8	35.6	0	0	0	115.5	P951 F953	P910-P951 HydrophobicContact CB-CB 4.3Å; P910-P951 HydrophobicContact CB-CG 3.74Å; P910-P951 HydrophobicContact CG-CG 3.74Å; P910-F953 HydrophobicContact CB-CE1 4.43Å
911	W	32.1	Very low	31.3	Very low	159 Å²	159	59.4 Å²	59.4	60%	0.602	32%	0.321	S	S	*	.	H	α-helix	trans	-69.9	-32.2	175.8	62.9	92.5	0	0	0	112.7	G909 L913 F914 D915	G909-W911 PolarHBondContact O-N 3.23Å; W911-L913 VanDerWaalsContact C-N 3.33Å; W911-L913 PolarHBondContact O-N 3.42Å; W911-F914 WeakPolarHBondContact O-CA 3.49Å; W911-F914 WeakPolarHBondContact O-CB 3.12Å; W911-F914 PolarHBondContact O-N 3.14Å; W911-D915 PolarHBondContact O-N 3.14Å
912	Q	35.2	Very low	31.5	Very low	29 Å²	29	58.9 Å²	58.9	14%	0.136	32%	0.316	C	S	.	.	H	α-helix	trans	-66.4	-35.5	-177.3	-58.8	177	-36.1	0	0	111.9	F907 G909 F914 H916	F907-Q912 HydrophobicContact CB-CB 4.21Å; F907-Q912 HydrophobicContact CD1-CB 3.38Å; F907-Q912 HydrophobicContact CE1-CB 4.03Å; F907-Q912 HydrophobicContact CG-CB 4.1Å; G909-Q912 WeakPolarHBondContact O-CB 3.4Å; G909-Q912 PolarHBondContact O-N 3Å; Q912-F914 VanDerWaalsContact C-N 3.32Å; Q912-H916 WeakPolarHBondContact O-CB 3.36Å; Q912-H916 PolarHBondContact O-N 3.31Å
913	L	32.5	Very low	31.6	Very low	13 Å²	13	61.2 Å²	61.2	7%	0.068	33%	0.33	C	S	.	.	H	α-helix	trans	-60.9	-41.5	169.9	174.7	65.6	0	0	0	111.5	F907 W911 C917 I938 V943	F907-L913 HydrophobicContact CD2-CB 3.72Å; F907-L913 HydrophobicContact CD2-CD1 4.1Å; F907-L913 HydrophobicContact CD2-CG 4.44Å; F907-L913 HydrophobicContact CE2-CB 3.72Å; F907-L913 HydrophobicContact CE2-CD1 3.46Å; F907-L913 VanDerWaalsContact CE2-CD1 3.46Å; F907-L913 HydrophobicContact CE2-CG 4.18Å; F907-L913 HydrophobicContact CG-CB 4.24Å; F907-L913 HydrophobicContact CZ-CB 4.24Å; F907-L913 HydrophobicContact CZ-CD1 4.18Å; W911-L913 VanDerWaalsContact C-N 3.33Å; W911-L913 PolarHBondContact O-N 3.42Å; L913-C917 WeakPolarHBondContact O-CB 3.35Å; L913-C917 PolarHBondContact O-N 3.06Å; L913-I938 HydrophobicContact CD1-CG1 4.31Å; L913-I938 HydrophobicContact CD2-CG1 4.49Å; L913-I938 HydrophobicContact CD2-CG2 4.14Å; L913-I938 HydrophobicContact CG-CG1 4.32Å; L913-V943 HydrophobicContact CD2-CG2 4.1Å
914	F	31.7	Very low	31.6	Very low	94 Å²	94	62.9 Å²	62.9	41%	0.412	34%	0.341	S	S	.	.	H	α-helix	trans	-69.6	-41.1	-178.3	-164.4	-89	0	0	0	112.1	W911 Q912 G918	W911-F914 WeakPolarHBondContact O-CA 3.49Å; W911-F914 WeakPolarHBondContact O-CB 3.12Å; W911-F914 PolarHBondContact O-N 3.14Å; Q912-F914 VanDerWaalsContact C-N 3.32Å; F914-G918 WeakPolarHBondContact O-CA 3.42Å; F914-G918 PolarHBondContact O-N 2.98Å
915	D	35.9	Very low	31.2	Very low	95 Å²	95	66 Å²	66	51%	0.508	36%	0.355	S	S	.	.	H	α-helix	trans	-64.9	-44.5	174.5	-73.1	-32.7	0	0	0	111.5	W911 G918 H919	W911-D915 PolarHBondContact O-N 3.14Å; D915-G918 PolarHBondContact O-N 3.47Å; D915-H919 WeakPolarHBondContact O-CB 3.49Å; D915-H919 PolarHBondContact O-N 3.48Å
916	H	32.6	Very low	31.2	Very low	49 Å²	49	75.4 Å²	75.4	23%	0.227	39%	0.389	C	S	.	.	H	α-helix	trans	-61	-50.2	178.4	-172.4	77.6	0	0	0	112.1	F907 Q912 H919 Y920	F907-H916 HydrophobicContact CE1-CB 4.22Å; F907-H916 HydrophobicContact CZ-CB 3.99Å; Q912-H916 WeakPolarHBondContact O-CB 3.36Å; Q912-H916 PolarHBondContact O-N 3.31Å; H916-H919 PolarHBondContact O-N 3.37Å; H916-Y920 AromaticContact CE1-CE2 3.86Å; H916-Y920 AromaticContact NE2-CE2 3.98Å; H916-Y920 PolarHBondContact O-N 2.91Å
917	C	29.8	Very low	31.2	Very low	6 Å²	6	76.6 Å²	76.6	4%	0.041	39%	0.392	C	S	.	.	H	α-helix	trans	-71.1	-30.1	176.7	-67.2	0	0	0	0	112.9	L913 S921 I938	L913-C917 WeakPolarHBondContact O-CB 3.35Å; L913-C917 PolarHBondContact O-N 3.06Å; C917-S921 VanDerWaalsContact O-CB 3.32Å; C917-S921 WeakPolarHBondContact O-CB 2.99Å; C917-S921 PolarHBondContact O-N 3.08Å; C917-S921 VanDerWaalsContact O-N 3.16Å; C917-I938 HydrophobicContact CB-CD1 4.41Å; C917-I938 HydrophobicContact CB-CG1 4.14Å
918	G	29.8	Very low	30.9	Very low	14 Å²	14	77.6 Å²	77.6	14%	0.144	41%	0.406	C	S	.	.	H	α-helix	trans	-65.4	-38.6	174.6	0	0	0	0	0	112.8	F914 D915 S921	F914-G918 WeakPolarHBondContact O-CA 3.42Å; F914-G918 PolarHBondContact O-N 2.98Å; D915-G918 PolarHBondContact O-N 3.47Å; G918-S921 WeakPolarHBondContact O-CB 3.42Å; G918-S921 PolarHBondContact O-N 2.89Å
919	H	32.1	Very low	30.9	Very low	125 Å²	125	78.6 Å²	78.6	58%	0.579	42%	0.416	S	S	*	.	H	α-helix	trans	-72.3	-41.8	-179.9	-163	58.3	0	0	0	112.7	D915 H916 S921 T922	D915-H919 WeakPolarHBondContact O-CB 3.49Å; D915-H919 PolarHBondContact O-N 3.48Å; H916-H919 PolarHBondContact O-N 3.37Å; H919-S921 VanDerWaalsContact C-N 3.29Å; H919-S921 PolarHBondContact O-N 3.45Å; H919-T922 PolarHBondContact O-N 3.09Å; H919-T922 PolarHBondContact O-OG1 3.34Å; H919-T922 VanDerWaalsContact O-OG1 3.07Å
920	Y	28.8	Very low	30.9	Very low	85 Å²	85	88.1 Å²	88.1	33%	0.333	45%	0.451	S	S	.	.	H	α-helix	trans	-66.4	-30.5	173.2	-86.4	-78.9	0	0	0	113.1	N883 H916 T922 H923 L924	N883-Y920 PolarHBondContact OD1-OH 3.08Å; H916-Y920 AromaticContact CE1-CE2 3.86Å; H916-Y920 AromaticContact NE2-CE2 3.98Å; H916-Y920 PolarHBondContact O-N 2.91Å; Y920-T922 VanDerWaalsContact C-N 3.28Å; Y920-T922 PolarHBondContact O-N 2.97Å; Y920-H923 PolarHBondContact O-N 3.19Å; Y920-L924 PolarHBondContact O-N 3.4Å
921	S	29	Very low	31.2	Very low	31 Å²	31	89.7 Å²	89.7	22%	0.217	46%	0.463	C	S	.	.	H	α-helix	trans	-60.5	-29.8	179	170.3	0	0	0	0	114	C917 G918 H919 R934	C917-S921 VanDerWaalsContact O-CB 3.32Å; C917-S921 WeakPolarHBondContact O-CB 2.99Å; C917-S921 PolarHBondContact O-N 3.08Å; C917-S921 VanDerWaalsContact O-N 3.16Å; G918-S921 WeakPolarHBondContact O-CB 3.42Å; G918-S921 PolarHBondContact O-N 2.89Å; H919-S921 VanDerWaalsContact C-N 3.29Å; H919-S921 PolarHBondContact O-N 3.45Å; S921-R934 PolarHBondContact OG-NE 2.92Å
922	T	33.7	Very low	31.2	Very low	69 Å²	69	86.4 Å²	86.4	42%	0.423	46%	0.457	S	S	.	.	H	α-helix	trans	-86.4	-15.2	-177.3	59.5	0	0	0	0	114	H919 Y920 R926	H919-T922 PolarHBondContact O-N 3.09Å; H919-T922 PolarHBondContact O-OG1 3.34Å; H919-T922 VanDerWaalsContact O-OG1 3.07Å; Y920-T922 VanDerWaalsContact C-N 3.28Å; Y920-T922 PolarHBondContact O-N 2.97Å; T922-R926 WeakPolarHBondContact O-CG 3.31Å
923	H	33.2	Very low	31	Very low	128 Å²	128	87 Å²	87	59%	0.593	47%	0.466	S	S	*	.	H	α-helix	trans	-94.2	-36.9	179.1	-90.7	-83.5	0	0	0	113.7	Y920	Y920-H923 PolarHBondContact O-N 3.19Å
924	L	30.3	Very low	31.1	Very low	116 Å²	116	90.6 Å²	90.6	61%	0.607	48%	0.479	S	S	*	.	H	α-helix	trans	-90.4	-19	-171.4	-88.9	164.8	0	0	0	116	Y920 M937	Y920-L924 PolarHBondContact O-N 3.4Å; L924-M937 HydrophobicContact CD1-CE 4.14Å
925	N	26.1	Very low	31.2	Very low	86 Å²	86	89.6 Å²	89.6	46%	0.46	48%	0.481	S	S	.	.			trans	-146.2	65.6	-179.5	-90.8	-54	0	0	0	112.7	S927 C928	N925-S927 PolarHBondContact O-N 2.74Å; N925-S927 VanDerWaalsContact O-N 3.11Å; N925-C928 PolarHBondContact O-N 3.44Å
926	R	31.8	Very low	31.1	Very low	219 Å²	219	92 Å²	92	83%	0.826	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-11.1	172.8	-75.9	-170.1	173.7	-169.4	-1.9	114.6	T922	T922-R926 WeakPolarHBondContact O-CG 3.31Å
927	S	33.3	Very low	31.3	Very low	105 Å²	105	92.8 Å²	92.8	73%	0.734	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-17.1	-177.3	45.1	0	0	0	0	115.1	N925	N925-S927 PolarHBondContact O-N 2.74Å; N925-S927 VanDerWaalsContact O-N 3.11Å
928	C	26.6	Very low	31.5	Very low	78 Å²	78	94.1 Å²	94.1	53%	0.527	50%	0.498	S	S	.	.			trans	-133.4	69.5	-171.5	-70.1	0	0	0	0	111.5	N925 W930	N925-C928 PolarHBondContact O-N 3.44Å; C928-W930 VanDerWaalsContact C-N 3.26Å; C928-W930 PolarHBondContact O-N 2.66Å
929	G	29.7	Very low	31.7	Very low	81 Å²	81	96.9 Å²	96.9	84%	0.835	52%	0.519	S	S	*	.			trans	-74.1	59.5	-175.7	0	0	0	0	0	115.2
930	W	27.6	Very low	31.8	Very low	204 Å²	204	100 Å²	100	77%	0.773	53%	0.526	S	S	*	.			trans	-100.3	131	173.1	-78.2	28.7	0	0	0	110.7	C928 L932 A933	C928-W930 VanDerWaalsContact C-N 3.26Å; C928-W930 PolarHBondContact O-N 2.66Å; W930-L932 PolarHBondContact O-N 2.92Å; W930-L932 VanDerWaalsContact O-N 3.08Å; W930-A933 WeakPolarHBondContact O-CB 3.41Å; W930-A933 PolarHBondContact O-N 3.21Å
931	S	34.5	Very low	32.1	Very low	98 Å²	98	98.1 Å²	98.1	69%	0.685	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-33.7	179.5	54.3	0	0	0	0	113.2	A933 R934 T935	S931-A933 PolarHBondContact O-N 2.99Å; S931-R934 PolarHBondContact O-N 3.47Å; S931-T935 PolarHBondContact O-N 3.15Å; S931-T935 PolarHBondContact O-OG1 3.48Å
932	L	30.7	Very low	32	Very low	90 Å²	90	98.5 Å²	98.5	47%	0.471	53%	0.529	S	S	.	.	H	α-helix	trans	-47.9	-27.9	173.6	-150.1	81.3	0	0	0	114	W930 K936	W930-L932 PolarHBondContact O-N 2.92Å; W930-L932 VanDerWaalsContact O-N 3.08Å; L932-K936 VanDerWaalsContact O-CB 3.31Å; L932-K936 WeakPolarHBondContact O-CB 3.3Å; L932-K936 WeakPolarHBondContact O-CG 3.47Å; L932-K936 PolarHBondContact O-N 2.76Å
933	A	31.7	Very low	32	Very low	40 Å²	40	97.3 Å²	97.3	33%	0.331	52%	0.521	S	S	.	.	H	α-helix	trans	-67.9	-42.2	177	0	0	0	0	0	112.7	W930 S931 M937	W930-A933 WeakPolarHBondContact O-CB 3.41Å; W930-A933 PolarHBondContact O-N 3.21Å; S931-A933 PolarHBondContact O-N 2.99Å; A933-M937 PolarHBondContact O-N 3.38Å
934	R	34.2	Very low	31.7	Very low	89 Å²	89	97.7 Å²	97.7	34%	0.336	53%	0.532	S	S	.	.	H	α-helix	trans	-66.5	-44.2	174.7	-65	-177	-172.2	175.7	5.3	110.3	S921 S931 K936 M937 I938	S921-R934 PolarHBondContact OG-NE 2.92Å; S931-R934 PolarHBondContact O-N 3.47Å; R934-K936 PolarHBondContact O-N 3.03Å; R934-M937 WeakPolarHBondContact O-CB 3.23Å; R934-M937 PolarHBondContact O-N 2.9Å; R934-I938 PolarHBondContact O-N 2.99Å
935	T	34.1	Very low	31.7	Very low	74 Å²	74	93.3 Å²	93.3	45%	0.454	51%	0.51	S	S	.	.	H	α-helix	trans	-62.4	-41.6	178.4	-40.3	0	0	0	0	112.2	S931 M937 I938 A939	S931-T935 PolarHBondContact O-N 3.15Å; S931-T935 PolarHBondContact O-OG1 3.48Å; T935-M937 VanDerWaalsContact C-N 3.32Å; T935-M937 PolarHBondContact O-N 2.63Å; T935-I938 PolarHBondContact O-N 3.34Å; T935-A939 WeakPolarHBondContact O-CB 3.3Å; T935-A939 PolarHBondContact O-N 3.1Å
936	K	34.5	Very low	31.7	Very low	144 Å²	144	93.8 Å²	93.8	63%	0.626	51%	0.509	S	S	*	.	H	α-helix	trans	-69	-24.6	175.4	-79.6	-177	175.9	-177.4	0	114.1	L932 R934	L932-K936 VanDerWaalsContact O-CB 3.31Å; L932-K936 WeakPolarHBondContact O-CB 3.3Å; L932-K936 WeakPolarHBondContact O-CG 3.47Å; L932-K936 PolarHBondContact O-N 2.76Å; R934-K936 PolarHBondContact O-N 3.03Å
937	M	34.9	Very low	31.4	Very low	66 Å²	66	87.3 Å²	87.3	33%	0.325	50%	0.496	S	S	.	.	H	α-helix	trans	-71.9	-50.4	168.1	-79.8	-176.7	158.8	0	0	110.7	L924 A933 R934 T935 A939 R940 F941	L924-M937 HydrophobicContact CD1-CE 4.14Å; A933-M937 PolarHBondContact O-N 3.38Å; R934-M937 WeakPolarHBondContact O-CB 3.23Å; R934-M937 PolarHBondContact O-N 2.9Å; T935-M937 VanDerWaalsContact C-N 3.32Å; T935-M937 PolarHBondContact O-N 2.63Å; M937-A939 VanDerWaalsContact C-N 3.34Å; M937-A939 PolarHBondContact O-N 3.13Å; M937-R940 PolarHBondContact O-N 2.69Å; M937-F941 VanDerWaalsContact O-CD2 3.3Å; M937-F941 WeakPolarHBondContact O-CD2 3.48Å; M937-F941 WeakPolarHBondContact O-CE2 3.41Å
938	I	34	Very low	31	Very low	34 Å²	34	88.5 Å²	88.5	17%	0.174	49%	0.493	C	S	.	.	H	α-helix	trans	-58.4	-43.4	179.6	-69.4	167.1	0	0	0	111.5	L913 C917 R934 T935 R940 F941	L913-I938 HydrophobicContact CD1-CG1 4.31Å; L913-I938 HydrophobicContact CD2-CG1 4.49Å; L913-I938 HydrophobicContact CD2-CG2 4.14Å; L913-I938 HydrophobicContact CG-CG1 4.32Å; C917-I938 HydrophobicContact CB-CD1 4.41Å; C917-I938 HydrophobicContact CB-CG1 4.14Å; R934-I938 PolarHBondContact O-N 2.99Å; T935-I938 PolarHBondContact O-N 3.34Å; I938-R940 PolarHBondContact O-N 3.07Å; I938-F941 PolarHBondContact O-N 2.72Å
939	A	34.9	Very low	31	Very low	72 Å²	72	89 Å²	89	60%	0.595	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-4.3	-176.5	0	0	0	0	0	116.1	T935 M937	T935-A939 WeakPolarHBondContact O-CB 3.3Å; T935-A939 PolarHBondContact O-N 3.1Å; M937-A939 VanDerWaalsContact C-N 3.34Å; M937-A939 PolarHBondContact O-N 3.13Å
940	R	34.7	Very low	30.8	Very low	192 Å²	192	87.3 Å²	87.3	73%	0.725	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-34.8	168.4	-68.3	-175	172.2	-168	-4.1	112	R902 M937 I938	R902-R940 PolarHBondContact NH1-O 3.4Å; M937-R940 PolarHBondContact O-N 2.69Å; I938-R940 PolarHBondContact O-N 3.07Å
941	F	33.7	Very low	30.9	Very low	44 Å²	44	78.9 Å²	78.9	19%	0.193	44%	0.442	C	S	.	.	S	Bend	trans	-85.8	141.3	-179.5	-51.1	-82.5	0	0	0	110.1	E903 I905 M937 I938	E903-F941 VanDerWaalsContact O-CD1 3.24Å; E903-F941 WeakPolarHBondContact O-CD1 3.47Å; I905-F941 HydrophobicContact CD1-CD1 4.39Å; I905-F941 HydrophobicContact CD1-CE1 3.71Å; I905-F941 HydrophobicContact CD1-CZ 3.9Å; I905-F941 HydrophobicContact CG1-CD1 4.3Å; I905-F941 HydrophobicContact CG1-CE1 3.91Å; M937-F941 VanDerWaalsContact O-CD2 3.3Å; M937-F941 WeakPolarHBondContact O-CD2 3.48Å; M937-F941 WeakPolarHBondContact O-CE2 3.41Å; I938-F941 PolarHBondContact O-N 2.72Å
942	G	28.5	Very low	30.5	Very low	40 Å²	40	83.9 Å²	83.9	41%	0.412	45%	0.446	S	S	.	.			trans	-75.2	147.4	166.3	0	0	0	0	0	110.4
943	V	32.7	Very low	30.6	Very low	43 Å²	43	83.2 Å²	83.2	26%	0.261	44%	0.439	S	S	.	.			trans	-129.8	138.3	174.5	-171.3	0	0	0	0	108.2	L913 V945 A964	L913-V943 HydrophobicContact CD2-CG2 4.1Å; V943-V945 HydrophobicContact CG1-CG2 3.8Å; V943-A964 HydrophobicContact CB-CB 4.38Å; V943-A964 CarbonylContact O-C 3.57Å; V943-A964 WeakPolarHBondContact O-CA 3.49Å
944	V	28	Very low	30.3	Very low	137 Å²	137	82.6 Å²	82.6	83%	0.83	43%	0.43	S	S	*	.			trans	-112.5	130.3	174	-178.5	0	0	0	0	107.5
945	V	29.6	Very low	30.1	Very low	24 Å²	24	83.2 Å²	83.2	15%	0.145	44%	0.436	C	S	.	.			trans	-131.8	138.6	-169.3	-174.5	0	0	0	0	110.9	V943 M954	V943-V945 HydrophobicContact CG1-CG2 3.8Å; V945-M954 HydrophobicContact CG1-SD 4.26Å; V945-M954 HydrophobicContact CG2-CE 3.95Å; V945-M954 HydrophobicContact CG2-SD 4.21Å
946	H	26.8	Very low	29.8	Very low	95 Å²	95	85.5 Å²	85.5	44%	0.44	45%	0.45	S	S	.	.			trans	-78	128.5	179.6	-177.2	-106.2	0	0	0	111.7	I948 C949	H946-I948 VanDerWaalsContact C-N 3.3Å; H946-I948 PolarHBondContact O-N 2.9Å; H946-C949 CarbonylContact O-C 3.58Å; H946-C949 PolarHBondContact O-N 3.45Å; H946-C949 VanDerWaalsContact O-N 3.12Å
947	P	24.4	Very low	29.6	Very low	83 Å²	83	80.9 Å²	80.9	54%	0.539	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-25.8	-168.2	24.2	-34.6	0	0	0	114.7
948	I	24.2	Very low	29.2	Very low	130 Å²	130	81.7 Å²	81.7	67%	0.667	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-14.4	-179.1	-40.6	-179	0	0	0	111.8	H946	H946-I948 VanDerWaalsContact C-N 3.3Å; H946-I948 PolarHBondContact O-N 2.9Å
949	C	26.6	Very low	28.9	Very low	90 Å²	90	85.3 Å²	85.3	61%	0.608	47%	0.47	S	S	*	.			trans	-137.1	60.5	-178.3	-64.4	0	0	0	0	112.9	H946 P951	H946-C949 CarbonylContact O-C 3.58Å; H946-C949 PolarHBondContact O-N 3.45Å; H946-C949 VanDerWaalsContact O-N 3.12Å; C949-P951 WeakPolarHBondContact O-CD 3.45Å
950	P	26.1	Very low	28.6	Very low	45 Å²	45	84.8 Å²	84.8	29%	0.292	46%	0.459	S	S	.	.			trans	-59.7	125.7	169.4	26.6	-33.8	0	0	0	109.8
951	P	29.8	Very low	28.2	Very low	26 Å²	26	78.6 Å²	78.6	17%	0.169	45%	0.445	C	S	.	.			trans	-59	142.4	-179.1	-26.8	35.9	0	0	0	112	P910 C949 F953 M954	P910-P951 HydrophobicContact CB-CB 4.3Å; P910-P951 HydrophobicContact CB-CG 3.74Å; P910-P951 HydrophobicContact CG-CG 3.74Å; C949-P951 WeakPolarHBondContact O-CD 3.45Å; P951-F953 HydrophobicContact CB-CD1 3.78Å; P951-F953 HydrophobicContact CB-CE1 3.6Å; P951-F953 HydrophobicContact CB-CZ 4.35Å; P951-F953 HydrophobicContact CG-CE1 4.19Å; P951-F953 PolarHBondContact O-N 2.88Å; P951-M954 WeakPolarHBondContact O-CB 3.42Å; P951-M954 PolarHBondContact O-N 2.6Å
952	R	27	Very low	27.8	Very low	204 Å²	204	78.8 Å²	78.8	77%	0.77	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-26.8	-175	-79.5	-168.5	167.8	-179.6	-3.8	115.2	M954 Q955	R952-M954 VanDerWaalsContact C-N 3.31Å; R952-M954 PolarHBondContact O-N 3.03Å; R952-Q955 WeakPolarHBondContact O-CB 3.25Å; R952-Q955 PolarHBondContact O-N 3.39Å; R952-Q955 VanDerWaalsContact O-N 3.14Å
953	F	31.5	Very low	27.6	Very low	75 Å²	75	81.4 Å²	81.4	33%	0.329	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-29.1	175.3	73.4	-101.1	0	0	0	113.1	P910 P951 Q955 V956 C957	P910-F953 HydrophobicContact CB-CE1 4.43Å; P951-F953 HydrophobicContact CB-CD1 3.78Å; P951-F953 HydrophobicContact CB-CE1 3.6Å; P951-F953 HydrophobicContact CB-CZ 4.35Å; P951-F953 HydrophobicContact CG-CE1 4.19Å; P951-F953 PolarHBondContact O-N 2.88Å; F953-Q955 VanDerWaalsContact C-N 3.3Å; F953-Q955 PolarHBondContact O-N 3.44Å; F953-V956 PolarHBondContact O-N 3.32Å; F953-V956 VanDerWaalsContact O-N 3.16Å; F953-C957 PolarHBondContact O-N 2.82Å; F953-C957 PolarHBondContact O-SG 3.07Å; F953-C957 VanDerWaalsContact O-SG 3.4Å
954	M	26.8	Very low	27.3	Very low	27 Å²	27	79.9 Å²	79.9	13%	0.133	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-67.6	-30.3	171.2	-74.1	-176.9	146.1	0	0	112	V945 P951 R952 V956 C957 V960 L965	V945-M954 HydrophobicContact CG1-SD 4.26Å; V945-M954 HydrophobicContact CG2-CE 3.95Å; V945-M954 HydrophobicContact CG2-SD 4.21Å; P951-M954 WeakPolarHBondContact O-CB 3.42Å; P951-M954 PolarHBondContact O-N 2.6Å; R952-M954 VanDerWaalsContact C-N 3.31Å; R952-M954 PolarHBondContact O-N 3.03Å; M954-V956 PolarHBondContact O-N 2.89Å; M954-C957 PolarHBondContact O-N 2.87Å; M954-C957 VanDerWaalsContact O-N 3.08Å; M954-V960 HydrophobicContact CE-CG1 4.17Å; M954-L965 HydrophobicContact CE-CD1 4.21Å
955	Q	28.4	Very low	27.2	Very low	102 Å²	102	77.1 Å²	77.1	48%	0.477	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-67.4	-15.1	172.7	-57.1	-176.6	-49.3	0	0	113.1	R952 F953	R952-Q955 WeakPolarHBondContact O-CB 3.25Å; R952-Q955 PolarHBondContact O-N 3.39Å; R952-Q955 VanDerWaalsContact O-N 3.14Å; F953-Q955 VanDerWaalsContact C-N 3.3Å; F953-Q955 PolarHBondContact O-N 3.44Å
956	V	29.6	Very low	26.9	Very low	123 Å²	123	85.4 Å²	85.4	75%	0.745	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-97.9	-14.3	173.8	-173.7	0	0	0	0	111.5	F953 M954	F953-V956 PolarHBondContact O-N 3.32Å; F953-V956 VanDerWaalsContact O-N 3.16Å; M954-V956 PolarHBondContact O-N 2.89Å
957	C	28.3	Very low	26.8	Very low	47 Å²	47	84.6 Å²	84.6	32%	0.318	47%	0.466	S	S	.	.			trans	-115.2	77.5	-172.2	-67.3	0	0	0	0	112.4	F953 M954 S959 V960	F953-C957 PolarHBondContact O-N 2.82Å; F953-C957 PolarHBondContact O-SG 3.07Å; F953-C957 VanDerWaalsContact O-SG 3.4Å; M954-C957 PolarHBondContact O-N 2.87Å; M954-C957 VanDerWaalsContact O-N 3.08Å; C957-S959 PolarHBondContact O-N 3.18Å; C957-V960 HydrophobicContact CB-CG2 3.69Å; C957-V960 PolarHBondContact O-N 3.32Å
958	N	27.7	Very low	26.8	Very low	83 Å²	83	87.3 Å²	87.3	44%	0.444	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-3.6	171.2	-69.3	-12.2	0	0	0	115.2	I988	N958-I988 HydrophobicContact CB-CB 4.25Å; N958-I988 HydrophobicContact CB-CG2 4.28Å; N958-I988 WeakPolarHBondContact O-CB 3.46Å
959	S	27.9	Very low	26.7	Very low	110 Å²	110	86.3 Å²	86.3	77%	0.769	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.3	24.9	-172.4	55.9	0	0	0	0	114.3	C957 S961	C957-S959 PolarHBondContact O-N 3.18Å; S959-S961 PolarHBondContact O-N 2.91Å
960	V	28.2	Very low	26.6	Very low	60 Å²	60	87.7 Å²	87.7	36%	0.364	48%	0.482	S	S	.	.			trans	-68.6	118.7	162.8	-174.7	0	0	0	0	108.6	M954 C957 S962 A964	M954-V960 HydrophobicContact CE-CG1 4.17Å; C957-V960 HydrophobicContact CB-CG2 3.69Å; C957-V960 PolarHBondContact O-N 3.32Å; V960-S962 PolarHBondContact O-N 3.46Å; V960-A964 HydrophobicContact CG1-CB 4.12Å
961	S	26.1	Very low	26.5	Very low	63 Å²	63	91.1 Å²	91.1	44%	0.441	50%	0.501	S	S	.	.			trans	-55.2	136.9	175.9	-50.6	0	0	0	0	111.2	S959 S963 A964	S959-S961 PolarHBondContact O-N 2.91Å; S961-S963 PolarHBondContact O-N 3.04Å; S961-A964 PolarHBondContact O-N 3.27Å
962	S	25.7	Very low	26.3	Very low	48 Å²	48	94.9 Å²	94.9	34%	0.336	53%	0.529	S	S	.	.	G	3₁₀ helix	trans	-61.5	-10.7	-172.6	50.6	0	0	0	0	115.3	V960 A964 L965	V960-S962 PolarHBondContact O-N 3.46Å; S962-A964 PolarHBondContact O-N 3.49Å; S962-L965 PolarHBondContact O-N 3.25Å
963	S	25.1	Very low	26.3	Very low	94 Å²	94	93.2 Å²	93.2	66%	0.657	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-61.6	1.4	170.1	47.6	0	0	0	0	115.4	S961	S961-S963 PolarHBondContact O-N 3.04Å
964	A	26.2	Very low	26.3	Very low	12 Å²	12	93.7 Å²	93.7	10%	0.099	56%	0.555	C	S	.	*	G	3₁₀ helix	trans	-113.3	9.7	171.4	0	0	0	0	0	114.5	V943 V960 S961 S962	V943-A964 HydrophobicContact CB-CB 4.38Å; V943-A964 CarbonylContact O-C 3.57Å; V943-A964 WeakPolarHBondContact O-CA 3.49Å; V960-A964 HydrophobicContact CG1-CB 4.12Å; S961-A964 PolarHBondContact O-N 3.27Å; S962-A964 PolarHBondContact O-N 3.49Å
965	L	24.9	Very low	26.6	Very low	78 Å²	78	95.5 Å²	95.5	41%	0.408	58%	0.581	S	S	.	*			trans	-138.9	107.1	-178.3	-97.9	140.9	0	0	0	111.4	M954 S962 V967	M954-L965 HydrophobicContact CE-CD1 4.21Å; S962-L965 PolarHBondContact O-N 3.25Å; L965-V967 HydrophobicContact CD2-CG2 3.92Å
966	W	24	Very low	26.5	Very low	198 Å²	198	97.4 Å²	97.4	75%	0.75	60%	0.595	S	S	*	*			trans	-95.3	123.3	164.4	-73.7	64.4	0	0	0	108.2
967	V	24.7	Very low	26.3	Very low	78 Å²	78	97.3 Å²	97.3	47%	0.473	60%	0.598	S	S	.	*			trans	-137.9	104.3	177	-175.5	0	0	0	0	108.2	L965 T969	L965-V967 HydrophobicContact CD2-CG2 3.92Å; V967-T969 VanDerWaalsContact C-N 3.31Å; V967-T969 HydrophobicContact CG1-CG2 4.05Å; V967-T969 PolarHBondContact O-N 2.92Å
968	D	23.4	Very low	26.1	Very low	140 Å²	140	103.7 Å²	103.7	75%	0.749	62%	0.623	S	S	*	*			trans	-74	80.3	177.7	-72.7	-46.8	0	0	0	111.4	V970	D968-V970 PolarHBondContact O-N 3.21Å
969	T	23.9	Very low	25.9	Very low	110 Å²	110	105.1 Å²	105.1	68%	0.675	64%	0.635	S	S	*	*			trans	-82.2	90.8	169.3	45.1	0	0	0	0	111.2	V967 V971	V967-T969 VanDerWaalsContact C-N 3.31Å; V967-T969 HydrophobicContact CG1-CG2 4.05Å; V967-T969 PolarHBondContact O-N 2.92Å; T969-V971 VanDerWaalsContact O-N 3.14Å; T969-V971 PolarHBondContact O-N 3.19Å
970	V	23.3	Very low	25.7	Very low	119 Å²	119	108.1 Å²	108.1	72%	0.721	63%	0.634	S	S	*	*			trans	-72.8	99	171.5	-177.2	0	0	0	0	109.5	D968	D968-V970 PolarHBondContact O-N 3.21Å
971	V	24.8	Very low	25.5	Very low	116 Å²	116	110.7 Å²	110.7	70%	0.703	65%	0.65	S	S	*	*			trans	-91.5	123.1	175	-173.7	0	0	0	0	109.6	T969 E973	T969-V971 VanDerWaalsContact O-N 3.14Å; T969-V971 PolarHBondContact O-N 3.19Å; V971-E973 HydrophobicContact CG1-CG 4.4Å; V971-E973 PolarHBondContact O-N 3.02Å
972	S	25.8	Very low	25.3	Very low	106 Å²	106	111.7 Å²	111.7	74%	0.741	65%	0.653	S	S	*	*			trans	-95.6	89.4	-179.6	173.4	0	0	0	0	111.3
973	E	26	Very low	25.2	Very low	169 Å²	169	114.7 Å²	114.7	79%	0.79	68%	0.675	S	S	*	*			trans	-99.6	145.4	163.2	-66.7	-159.9	139.6	0	0	111.3	V971 G975	V971-E973 HydrophobicContact CG1-CG 4.4Å; V971-E973 PolarHBondContact O-N 3.02Å; E973-G975 PolarHBondContact O-N 3.23Å; E973-G975 VanDerWaalsContact O-N 3.12Å
974	G	31.4	Very low	25.1	Very low	84 Å²	84	116 Å²	116	87%	0.866	67%	0.674	S	S	*	*	S	Bend	trans	73.9	4	156	0	0	0	0	0	119.1	D976	G974-D976 VanDerWaalsContact C-N 3.27Å; G974-D976 PolarHBondContact O-N 3.44Å; G974-D976 VanDerWaalsContact O-N 3.13Å
975	G	33.1	Very low	25	Very low	66 Å²	66	123.6 Å²	123.6	68%	0.68	70%	0.701	S	S	*	*	S	Bend	trans	83	-27.9	169.5	0	0	0	0	0	116.5	E973	E973-G975 PolarHBondContact O-N 3.23Å; E973-G975 VanDerWaalsContact O-N 3.12Å
976	D	27.4	Very low	24.9	Very low	142 Å²	142	126.5 Å²	126.5	76%	0.759	72%	0.717	S	S	*	*	S	Bend	trans	-100.5	107.3	172.7	-76.5	-41.1	0	0	0	110.7	G974 Q978	G974-D976 VanDerWaalsContact C-N 3.27Å; G974-D976 PolarHBondContact O-N 3.44Å; G974-D976 VanDerWaalsContact O-N 3.13Å; D976-Q978 PolarHBondContact O-N 3.3Å; D976-Q978 VanDerWaalsContact O-N 3.08Å
977	C	25.6	Very low	25	Very low	121 Å²	121	120.9 Å²	120.9	82%	0.818	71%	0.708	S	S	*	*			trans	-68.4	104.2	-172.1	-57.8	0	0	0	0	113.4
978	Q	23.5	Very low	25	Very low	180 Å²	180	121.6 Å²	121.6	84%	0.841	71%	0.708	S	S	*	*			trans	-111.1	105.5	166.9	-66.9	-166	9.2	0	0	111.8	D976 K980	D976-Q978 PolarHBondContact O-N 3.3Å; D976-Q978 VanDerWaalsContact O-N 3.08Å; Q978-K980 PolarHBondContact O-N 3.42Å; Q978-K980 VanDerWaalsContact O-N 3.13Å
979	T	23.4	Very low	24.9	Very low	114 Å²	114	123.9 Å²	123.9	70%	0.699	71%	0.707	S	S	*	*			trans	-72.9	101.5	174.2	-48.6	0	0	0	0	110.4
980	K	22.5	Very low	25	Very low	172 Å²	172	122.6 Å²	122.6	75%	0.748	70%	0.703	S	S	*	*			trans	-100.2	107.7	176	-165.9	-179.1	-177.7	-173	0	110.6	Q978 T982	Q978-K980 PolarHBondContact O-N 3.42Å; Q978-K980 VanDerWaalsContact O-N 3.13Å; K980-T982 VanDerWaalsContact C-N 3.34Å; K980-T982 HydrophobicContact CD-CG2 4.18Å; K980-T982 HydrophobicContact CG-CG2 4.18Å; K980-T982 PolarHBondContact O-N 3.48Å
981	V	23.8	Very low	25	Very low	114 Å²	114	123.9 Å²	123.9	69%	0.691	70%	0.701	S	S	*	*			trans	-73.3	87.9	173.7	-176.6	0	0	0	0	109.3	S983	V981-S983 PolarHBondContact O-N 3.43Å
982	T	22.7	Very low	25.1	Very low	84 Å²	84	127.6 Å²	127.6	52%	0.515	71%	0.711	S	S	.	*			trans	-79.2	97.3	174.5	46.1	0	0	0	0	110.1	K980 D984	K980-T982 VanDerWaalsContact C-N 3.34Å; K980-T982 HydrophobicContact CD-CG2 4.18Å; K980-T982 HydrophobicContact CG-CG2 4.18Å; K980-T982 PolarHBondContact O-N 3.48Å; T982-D984 WeakPolarHBondContact CB-OD2 3.43Å; T982-D984 PolarHBondContact O-N 3.47Å
983	S	24	Very low	24.9	Very low	112 Å²	112	128.2 Å²	128.2	78%	0.783	71%	0.71	S	S	*	*			trans	-75.5	42.1	172.6	66.6	0	0	0	0	112.3	V981	V981-S983 PolarHBondContact O-N 3.43Å
984	D	22.7	Very low	24.9	Very low	120 Å²	120	127.7 Å²	127.7	64%	0.642	71%	0.712	S	S	*	*			trans	-83.6	144.7	-171.1	-73.9	-53	0	0	0	111.8	T982 L986	T982-D984 WeakPolarHBondContact CB-OD2 3.43Å; T982-D984 PolarHBondContact O-N 3.47Å; D984-L986 PolarHBondContact O-N 3.28Å
985	Y	23.4	Very low	24.5	Very low	172 Å²	172	133.1 Å²	133.1	68%	0.675	71%	0.708	S	S	*	*			trans	-84.4	88.6	-155.8	-152	-91.9	0	0	0	111.6	S987	Y985-S987 PolarHBondContact O-N 2.87Å
986	L	24.2	Very low	23.9	Very low	139 Å²	139	138.7 Å²	138.7	73%	0.728	72%	0.72	S	S	*	*			trans	-73	70.9	-176.7	-149.2	168.8	0	0	0	112.1	D984 I988	D984-L986 PolarHBondContact O-N 3.28Å; L986-I988 HydrophobicContact CD2-CD1 4.31Å; L986-I988 HydrophobicContact CD2-CG1 3.68Å; L986-I988 PolarHBondContact O-N 2.86Å
987	S	24.6	Very low	23.6	Very low	81 Å²	81	138 Å²	138	57%	0.566	72%	0.715	S	S	*	*			trans	-78	104.3	176.2	57.8	0	0	0	0	111.2	Y985 Y989	Y985-S987 PolarHBondContact O-N 2.87Å; S987-Y989 PolarHBondContact O-N 2.89Å
988	I	24.3	Very low	23.5	Very low	93 Å²	93	136.4 Å²	136.4	48%	0.477	71%	0.706	S	S	.	*			trans	-77.3	70.6	176.6	-48.9	175.1	0	0	0	109.5	N958 L986 S990	N958-I988 HydrophobicContact CB-CB 4.25Å; N958-I988 HydrophobicContact CB-CG2 4.28Å; N958-I988 WeakPolarHBondContact O-CB 3.46Å; L986-I988 HydrophobicContact CD2-CD1 4.31Å; L986-I988 HydrophobicContact CD2-CG1 3.68Å; L986-I988 PolarHBondContact O-N 2.86Å; I988-S990 VanDerWaalsContact C-N 3.26Å; I988-S990 PolarHBondContact O-N 3.05Å
989	Y	22.9	Very low	23.4	Very low	188 Å²	188	136.6 Å²	136.6	74%	0.737	71%	0.712	S	S	*	*			trans	-81	71	-177.5	-144.1	-79.8	0	0	0	111.6	S987 E991	S987-Y989 PolarHBondContact O-N 2.89Å; Y989-E991 HydrophobicContact CE1-CG 3.93Å; Y989-E991 PolarHBondContact O-N 2.97Å; Y989-E991 HydrophobicContact CD1-CG 4.24Å
990	S	25.8	Very low	23.5	Very low	83 Å²	83	138.6 Å²	138.6	58%	0.58	72%	0.716	S	S	*	*			trans	-81.6	75.1	-177.2	-169	0	0	0	0	112.3	I988	I988-S990 VanDerWaalsContact C-N 3.26Å; I988-S990 PolarHBondContact O-N 3.05Å
991	E	23.4	Very low	23.5	Very low	145 Å²	145	134 Å²	134	68%	0.678	72%	0.718	S	S	*	*	S	Bend	trans	-96.3	85.7	162.1	-76.1	-169.7	-167.7	0	0	110.4	Y989	Y989-E991 HydrophobicContact CE1-CG 3.93Å; Y989-E991 PolarHBondContact O-N 2.97Å; Y989-E991 HydrophobicContact CD1-CG 4.24Å
992	Q	25.6	Very low	23.6	Very low	194 Å²	194	131.6 Å²	131.6	91%	0.907	72%	0.716	S	S	*	*	S	Bend	trans	63.4	37.7	159.2	-55.5	-170.5	-2	0	0	119.8
993	T	23	Very low	23.6	Very low	120 Å²	120	133.6 Å²	133.6	74%	0.736	73%	0.734	S	S	*	*			trans	-150.9	148.9	157.4	-6.8	0	0	0	0	114.5
994	L	26	Very low	24.2	Very low	157 Å²	157	137.5 Å²	137.5	82%	0.822	76%	0.756	S	S	*	*			trans	-69.5	128.8	158.9	-62.4	92.8	0	0	0	108.8
995	Y	22.1	Very low	24.2	Very low	199 Å²	199	138.4 Å²	138.4	78%	0.78	76%	0.762	S	S	*	*			trans	-173.4	108.7	141.1	-93.9	-60.5	0	0	0	110	L997	Y995-L997 HydrophobicContact CD1-CD1 4.3Å; Y995-L997 HydrophobicContact CD1-CG 4.08Å; Y995-L997 HydrophobicContact CG-CD1 4.1Å; Y995-L997 HydrophobicContact CG-CG 4.25Å; Y995-L997 PolarHBondContact O-N 3.4Å; Y995-L997 VanDerWaalsContact O-N 3.16Å
996	I	21.4	Very low	24.3	Very low	182 Å²	182	136.6 Å²	136.6	93%	0.933	77%	0.767	S	S	*	*			trans	-82	81.1	154.9	-60.3	175.9	0	0	0	105.7
997	L	20.6	Very low	24.3	Very low	127 Å²	127	136.5 Å²	136.5	67%	0.665	77%	0.769	S	S	*	*			trans	-79.7	140.9	179.3	-112.8	165.9	0	0	0	110.4	Y995 L999	Y995-L997 HydrophobicContact CD1-CD1 4.3Å; Y995-L997 HydrophobicContact CD1-CG 4.08Å; Y995-L997 HydrophobicContact CG-CD1 4.1Å; Y995-L997 HydrophobicContact CG-CG 4.25Å; Y995-L997 PolarHBondContact O-N 3.4Å; Y995-L997 VanDerWaalsContact O-N 3.16Å; L997-L999 PolarHBondContact O-N 3.24Å
998	S	22.5	Very low	24.3	Very low	88 Å²	88	139.8 Å²	139.8	62%	0.615	78%	0.781	S	S	*	*			trans	-68.1	125.4	-166.9	50.8	0	0	0	0	113.9	I1000	S998-I1000 PolarHBondContact O-N 3.38Å
999	L	23	Very low	24.3	Very low	185 Å²	185	142.7 Å²	142.7	97%	0.969	80%	0.8	S	S	*	*	S	Bend	trans	-76.6	62	161.1	-86	167.8	0	0	0	111.4	L997	L997-L999 PolarHBondContact O-N 3.24Å
1000	I	24.2	Very low	24.3	Very low	155 Å²	155	139.7 Å²	139.7	80%	0.795	80%	0.804	S	S	*	*			trans	-135.1	89.4	162.5	-55.1	179.4	0	0	0	106.1	S998	S998-I1000 PolarHBondContact O-N 3.38Å
1001	G	23.2	Very low	24.2	Very low	77 Å²	77	143.7 Å²	143.7	79%	0.794	82%	0.82	S	S	*	*			trans	174.2	80.4	-175	0	0	0	0	0	117.7
1002	G	25.1	Very low	24.3	Very low	62 Å²	62	143.6 Å²	143.6	64%	0.639	83%	0.831	S	S	*	*			trans	81.1	130.8	139	0	0	0	0	0	119.6
1003	S	23.7	Very low	24.2	Very low	127 Å²	127	139.4 Å²	139.4	89%	0.888	83%	0.825	S	S	*	*			trans	-170.8	99.5	155.1	-80.4	0	0	0	0	110.2
1004	P	35.7	Very low	24.3	Very low	194 Å²	194	141.2 Å²	141.2	100%	1.26	83%	0.833	S	S	*	*			cis	-92.4	0	-17.4	36.6	-29.3	0	0	0	112.9

Retrieved 1,004 of 1,004 residues in 231.2 ms (Link to these results)

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