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N-acetylglucosamine-6-sulfatase

Hydrolyzes 6-sulfate groups in N-acetyl-d-glucosaminide units of heparin sulfate and keratan sulfate.

AlphaFold DB , UniProt , Accession P15586, Species HUMAN (Homo sapiens, Human), Gene GNS, Length 552 aa.

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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	39.3	Very low	42.2	Very low	241 Å²	241	162.8 Å²	162.8	100%	1.187	87%	0.873	S	S	*	*				0	95.1	0	-84.8	164.1	160	0	0	106.9
2	R	34.5	Very low	42.4	Very low	229 Å²	229	169.6 Å²	169.6	86%	0.864	88%	0.877	S	S	*	*				67.3	118.6	96.5	-90.4	-169.1	-176	-158.9	2.2	110.6
3	L	40	Very low	42.3	Very low	160 Å²	160	175.8 Å²	175.8	84%	0.838	88%	0.882	S	S	*	*			cis	-155.9	154.1	32	-83.6	127.4	0	0	0	113.8
4	L	35.8	Very low	42.5	Very low	167 Å²	167	168.4 Å²	168.4	87%	0.874	87%	0.872	S	S	*	*			trans	-97.7	172.5	174.1	-95.5	159.6	0	0	0	111.6
5	P	52.3	Low	43	Very low	108 Å²	108	165.3 Å²	165.3	70%	0.701	87%	0.871	S	S	*	*			trans	-102.3	178.4	-165.4	42	-36.5	0	0	0	114.5
6	L	40.7	Very low	43.5	Very low	171 Å²	171	162.2 Å²	162.2	90%	0.895	86%	0.863	S	S	*	*			trans	-161.8	146.8	164.2	-88.5	165.9	0	0	0	107.7
7	A	47.4	Very low	43.7	Very low	92 Å²	92	165.7 Å²	165.7	76%	0.76	86%	0.862	S	S	*	*			cis	-166.1	164.2	39	0	0	0	0	0	113.2
8	P	43.2	Very low	43.9	Very low	129 Å²	129	165.9 Å²	165.9	84%	0.838	86%	0.858	S	S	*	*			trans	-115.2	163.3	167.6	38	-26	0	0	0	114.2
9	G	53	Low	43.8	Very low	82 Å²	82	165.6 Å²	165.6	85%	0.845	86%	0.857	S	S	*	*			trans	-130.4	142	178.2	0	0	0	0	0	114.1
10	R	40.9	Very low	44.2	Very low	246 Å²	246	163 Å²	163	93%	0.928	85%	0.85	S	S	*	*			trans	-92.4	150.3	-162.2	-79.1	176.8	170.6	-168.3	-2.2	117.6
11	L	36.6	Very low	44.3	Very low	166 Å²	166	160.4 Å²	160.4	87%	0.869	85%	0.846	S	S	*	*			trans	-2.6	142.9	139.3	-74.3	146	0	0	0	123.5
12	R	44.7	Very low	44.5	Very low	244 Å²	244	154.3 Å²	154.3	92%	0.921	83%	0.826	S	S	*	*			trans	-149.2	113.9	141.4	-77.5	-170.6	173.8	-158.9	-1	108.7
13	R	42	Very low	45.1	Very low	250 Å²	250	148.8 Å²	148.8	94%	0.943	82%	0.823	S	S	*	*				64.8	122.7	84.9	-94.3	-170.1	-178.1	-174.9	1.4	117.3
14	G	44.8	Very low	45.3	Very low	72 Å²	72	147 Å²	147	74%	0.742	82%	0.821	S	S	*	*			trans	171.6	78	163.4	0	0	0	0	0	117.5
15	S	49.9	Very low	45.9	Very low	122 Å²	122	143.9 Å²	143.9	85%	0.853	82%	0.818	S	S	*	*			trans	16	157.9	152.9	50	0	0	0	0	127.6
16	P	51.2	Low	45.5	Very low	116 Å²	116	146.6 Å²	146.6	75%	0.753	83%	0.826	S	S	*	*			trans	-116.9	-179.5	-167.8	42.6	-27.2	0	0	0	115.6
17	R	46.3	Very low	45.7	Very low	222 Å²	222	146.2 Å²	146.2	84%	0.838	82%	0.824	S	S	*	*			trans	155.7	141.8	155.8	-89.4	165.3	-169.6	-161.8	4.4	108.2
18	H	48.2	Very low	45.5	Very low	170 Å²	170	149.6 Å²	149.6	79%	0.787	83%	0.829	S	S	*	*			cis	-157.9	154.1	33.3	-88	-73.9	0	0	0	111.3
19	L	42.3	Very low	45.7	Very low	160 Å²	160	150.5 Å²	150.5	84%	0.838	83%	0.826	S	S	*	*			trans	-108	162	158.6	-97.1	157.2	0	0	0	107
20	P	50.3	Low	45.4	Very low	113 Å²	113	153.4 Å²	153.4	73%	0.734	83%	0.827	S	S	*	*				-162.2	171.1	63.6	41.4	-18.2	0	0	0	120.7
21	S	47.1	Very low	45.6	Very low	108 Å²	108	149.2 Å²	149.2	76%	0.755	82%	0.822	S	S	*	*			trans	64.2	150.6	148.1	95.7	0	0	0	0	119.8
22	C	42.5	Very low	46	Very low	114 Å²	114	144.6 Å²	144.6	77%	0.77	81%	0.814	S	S	*	*			cis	-168.3	158.9	3.9	-133.8	0	0	0	0	109.9
23	S	47.8	Very low	45.9	Very low	113 Å²	113	136.1 Å²	136.1	79%	0.79	80%	0.803	S	S	*	*			trans	94.4	141.2	153	-65	0	0	0	0	122.7
24	P	45.3	Very low	45.8	Very low	123 Å²	123	130.8 Å²	130.8	80%	0.799	80%	0.802	S	S	*	*			trans	-120.2	143.7	-152.6	35.7	-17.4	0	0	0	114.2
25	A	47.5	Very low	46	Very low	100 Å²	100	134.8 Å²	134.8	83%	0.826	81%	0.806	S	S	*	*			trans	-162.1	103.6	159.2	0	0	0	0	0	111.4
26	L	43.2	Very low	45.5	Very low	165 Å²	165	132.2 Å²	132.2	86%	0.864	80%	0.799	S	S	*	*			trans	25.2	104.8	136.4	-147	75.3	0	0	0	117.8
27	L	45.2	Very low	45.1	Very low	163 Å²	163	133.1 Å²	133.1	85%	0.853	80%	0.802	S	S	*	*			trans	-156.9	130	141.8	-135.4	80.7	0	0	0	110.8	L29	L27-L29 PolarHBondContact O-N 3.44Å
28	L	42.6	Very low	45	Very low	163 Å²	163	132 Å²	132	85%	0.853	80%	0.804	S	S	*	*			trans	-55	127.9	175.9	-76.4	88.9	0	0	0	111.2
29	L	48.2	Very low	44.3	Very low	149 Å²	149	126.7 Å²	126.7	78%	0.78	80%	0.795	S	S	*	*			trans	-140.1	113.5	161.4	-109.3	139.9	0	0	0	109.7	L27 L31	L27-L29 PolarHBondContact O-N 3.44Å; L29-L31 PolarHBondContact O-N 3.11Å; L29-L31 VanDerWaalsContact O-N 3.11Å
30	V	46.1	Very low	43.9	Very low	143 Å²	143	125.5 Å²	125.5	87%	0.867	79%	0.793	S	S	*	*			trans	-56.8	103.7	168.6	175.5	0	0	0	0	108.2
31	L	46.3	Very low	43.1	Very low	157 Å²	157	124.4 Å²	124.4	82%	0.822	79%	0.794	S	S	*	*			trans	-113	91.5	167.5	-90.1	154.9	0	0	0	107.5	L29 G33	L29-L31 PolarHBondContact O-N 3.11Å; L29-L31 VanDerWaalsContact O-N 3.11Å; L31-G33 PolarHBondContact O-N 3.08Å; L31-G33 VanDerWaalsContact O-N 3.08Å
32	G	44.3	Very low	42.5	Very low	69 Å²	69	123.4 Å²	123.4	71%	0.711	79%	0.793	S	S	*	*			trans	-60.3	106.6	166.3	0	0	0	0	0	108.9	C34	G32-C34 PolarHBondContact O-N 3.22Å
33	G	42.1	Very low	42.6	Very low	66 Å²	66	121.5 Å²	121.5	68%	0.68	79%	0.792	S	S	*	*			trans	-65.6	113.4	173.5	0	0	0	0	0	110.1	L31 L35	L31-G33 PolarHBondContact O-N 3.08Å; L31-G33 VanDerWaalsContact O-N 3.08Å; G33-L35 PolarHBondContact O-N 2.85Å
34	C	40.9	Very low	43.3	Very low	138 Å²	138	122.7 Å²	122.7	93%	0.932	80%	0.795	S	S	*	*			trans	-63.1	81.3	159.3	-80.5	0	0	0	0	109.3	G32 G36	G32-C34 PolarHBondContact O-N 3.22Å; C34-G36 PolarHBondContact O-N 3.34Å
35	L	47.7	Very low	45.1	Very low	157 Å²	157	121.7 Å²	121.7	82%	0.822	78%	0.775	S	S	*	*			trans	-76.3	104.1	159.2	-85.4	153.2	0	0	0	107	G33 V37	G33-L35 PolarHBondContact O-N 2.85Å; L35-V37 PolarHBondContact O-N 3Å
36	G	40.7	Very low	47.2	Very low	68 Å²	68	123 Å²	123	70%	0.701	76%	0.759	S	S	*	*			trans	-55.5	107	171	0	0	0	0	0	110	C34 F38	C34-G36 PolarHBondContact O-N 3.34Å; G36-F38 VanDerWaalsContact C-N 3.33Å; G36-F38 PolarHBondContact O-N 3.05Å
37	V	43.5	Very low	49.8	Very low	135 Å²	135	116.2 Å²	116.2	82%	0.818	72%	0.724	S	S	*	*			trans	-74.8	90.7	168.6	-179.4	0	0	0	0	106.9	L35 G39	L35-V37 PolarHBondContact O-N 3Å; V37-G39 PolarHBondContact O-N 3.45Å
38	F	43.3	Very low	52.4	Low	199 Å²	199	108.5 Å²	108.5	87%	0.873	68%	0.684	S	S	*	*			trans	-69.3	81.7	152.8	-80.5	-83.5	0	0	0	107	G36 V40	G36-F38 VanDerWaalsContact C-N 3.33Å; G36-F38 PolarHBondContact O-N 3.05Å; F38-V40 VanDerWaalsContact C-N 3.34Å; F38-V40 PolarHBondContact O-N 3Å
39	G	34	Very low	55	Low	58 Å²	58	100.7 Å²	100.7	60%	0.598	64%	0.643	S	S	*	*			trans	-65	98.7	165.3	0	0	0	0	0	107.6	V37 A41	V37-G39 PolarHBondContact O-N 3.45Å; G39-A41 PolarHBondContact O-N 2.99Å
40	V	34.1	Very low	57.5	Low	134 Å²	134	93.6 Å²	93.6	81%	0.812	61%	0.606	S	S	*	*			trans	-56.8	109.1	158.4	180	0	0	0	0	104.8	F38 A42	F38-V40 VanDerWaalsContact C-N 3.34Å; F38-V40 PolarHBondContact O-N 3Å; V40-A42 PolarHBondContact O-N 2.94Å
41	A	33.3	Very low	60	Low	90 Å²	90	86.8 Å²	86.8	74%	0.744	57%	0.565	S	S	*	*			trans	-51.5	111.2	169.7	0	0	0	0	0	106.3	G39 G43	G39-A41 PolarHBondContact O-N 2.99Å; A41-G43 PolarHBondContact O-N 2.7Å
42	A	34.6	Very low	62.5	Low	88 Å²	88	79.5 Å²	79.5	73%	0.727	53%	0.526	S	S	*	.			trans	-53.3	108.6	174.1	0	0	0	0	0	106	V40 T44	V40-A42 PolarHBondContact O-N 2.94Å; A42-T44 PolarHBondContact O-N 2.65Å
43	G	44.7	Very low	65.1	Low	74 Å²	74	76.3 Å²	76.3	76%	0.763	49%	0.493	S	S	*	.			trans	-52.1	112.8	-178.9	0	0	0	0	0	107.4	A41 R45	A41-G43 PolarHBondContact O-N 2.7Å; G43-R45 PolarHBondContact O-N 2.67Å
44	T	62.5	Low	67.8	Low	137 Å²	137	73.1 Å²	73.1	84%	0.84	46%	0.461	S	S	*	.			trans	-56.7	115.6	-173.7	48.9	0	0	0	0	108	A42 R46	A42-T44 PolarHBondContact O-N 2.65Å; T44-R46 PolarHBondContact O-N 3.41Å
45	R	82.7	Confident	70.5	Confident	103 Å²	103	66.6 Å²	66.6	39%	0.389	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-51.3	134.7	178.4	-175.3	176.4	176.4	-172.5	-5.4	108.2	G43 N221 E223	G43-R45 PolarHBondContact O-N 2.67Å; R45-N221 VanDerWaalsContact CZ-O 3.23Å; R45-N221 PolarHBondContact NH1-O 3.22Å; R45-N221 PolarHBondContact NH2-O 2.94Å; R45-E223 PolarHBondContact NH2-O 3.15Å
46	R	92.3	Very high	72.9	Confident	128 Å²	128	59.1 Å²	59.1	48%	0.483	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-54.9	137.1	176.7	-72.6	-176.2	179.9	165.4	-1.8	109.4	T44 C140 P224 N318	T44-R46 PolarHBondContact O-N 3.41Å; R46-C140 PolarHBondContact NH1-O 3.17Å; R46-P224 HydrophobicContact CB-CB 4.24Å; R46-P224 HydrophobicContact CB-CG 4.22Å; R46-N318 PolarHBondContact O-ND2 3.39Å
47	P	97.3	Very high	75.7	Confident	21 Å²	21	55.9 Å²	55.9	14%	0.136	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-65.2	145.6	-178.8	-22.7	34.1	0	0	0	112.5	Y142 N318 Y320 I381	P47-Y142 WeakPolarHBondContact O-CE1 3.22Å; P47-Y142 PolarHBondContact O-OH 3.19Å; P47-N318 CarbonylContact C-O 3.54Å; P47-N318 VanDerWaalsContact CA-O 3.32Å; P47-N318 WeakPolarHBondContact CA-O 3.26Å; P47-Y320 HydrophobicContact CB-CD2 3.71Å; P47-Y320 HydrophobicContact CB-CE2 3.7Å; P47-Y320 HydrophobicContact CG-CD2 4.39Å; P47-Y320 HydrophobicContact CG-CE2 3.88Å; P47-I381 HydrophobicContact CB-CG2 3.86Å; P47-I381 HydrophobicContact CG-CG2 4.11Å
48	N	98.5	Very high	78.3	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	158.7	165.8	-55.5	-45.7	0	0	0	109.8	P224 F225 N318 T319 Y320	N48-P224 WeakPolarHBondContact OD1-CA 3.34Å; N48-F225 CarbonylContact C-O 3.56Å; N48-F225 WeakPolarHBondContact CA-O 3.43Å; N48-F225 HydrophobicContact CB-CD1 3.83Å; N48-F225 HydrophobicContact CB-CD2 4.04Å; N48-F225 HydrophobicContact CB-CE1 3.54Å; N48-F225 HydrophobicContact CB-CE2 3.74Å; N48-F225 HydrophobicContact CB-CG 4.09Å; N48-F225 HydrophobicContact CB-CZ 3.47Å; N48-F225 VanDerWaalsContact CB-CZ 3.47Å; N48-F225 WeakPolarHBondContact ND2-CE1 3.38Å; N48-F225 VanDerWaalsContact OD1-CD1 3.26Å; N48-F225 WeakPolarHBondContact OD1-CD1 3.35Å; N48-F225 PolarHBondContact OD1-N 2.91Å; N48-F225 VanDerWaalsContact OD1-N 3.07Å; N48-N318 PolarHBondContact N-O 2.94Å; N48-T319 HydrophobicContact CB-CG2 3.98Å; N48-T319 PolarHBondContact ND2-OG1 3.38Å; N48-T319 CarbonylContact O-C 3.59Å; N48-T319 WeakPolarHBondContact O-CA 3.16Å; N48-Y320 PolarHBondContact O-N 3.4Å
49	V	98.8	Very high	80.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	134.8	178	-175	0	0	0	0	111.1	F225 F226 M227 Y320 F322 I378 I381	V49-F225 PolarHBondContact N-O 2.89Å; V49-F226 HydrophobicContact CB-CD2 3.95Å; V49-F226 HydrophobicContact CG1-CD2 4Å; V49-F226 HydrophobicContact CG1-CE2 4.27Å; V49-F226 CarbonylContact O-C 3.5Å; V49-F226 VanDerWaalsContact O-CA 3.22Å; V49-F226 WeakPolarHBondContact O-CA 3.1Å; V49-M227 PolarHBondContact O-N 2.93Å; V49-Y320 CarbonylContact C-O 3.58Å; V49-Y320 WeakPolarHBondContact CA-O 3.46Å; V49-F322 HydrophobicContact CG1-CD2 4.03Å; V49-F322 HydrophobicContact CG1-CE2 3.99Å; V49-I378 HydrophobicContact CB-CG2 4.34Å; V49-I378 HydrophobicContact CG1-CG1 4.12Å; V49-I378 HydrophobicContact CG1-CG2 4.11Å; V49-I378 HydrophobicContact CG2-CG2 4.32Å; V49-I381 HydrophobicContact CG2-CB 4.33Å; V49-I381 HydrophobicContact CG2-CD1 4.4Å; V49-I381 HydrophobicContact CG2-CG2 3.61Å
50	V	98.9	Very high	83.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	129	171.7	174.6	0	0	0	0	108.2	L52 F225 M227 L306 L310 T319 Y320 I321 F322	V50-L52 HydrophobicContact CG1-CD1 4.27Å; V50-L52 HydrophobicContact CG1-CG 4.14Å; V50-F225 HydrophobicContact CG2-CE2 3.98Å; V50-M227 CarbonylContact C-O 3.31Å; V50-M227 WeakPolarHBondContact CA-O 3.12Å; V50-M227 HydrophobicContact CG2-CB 4.31Å; V50-M227 HydrophobicContact CG2-SD 4.24Å; V50-L306 HydrophobicContact CG1-CD2 3.57Å; V50-L310 HydrophobicContact CG2-CD1 4.31Å; V50-T319 HydrophobicContact CG2-CG2 3.89Å; V50-Y320 PolarHBondContact N-O 3.41Å; V50-I321 HydrophobicContact CB-CG1 4.32Å; V50-I321 HydrophobicContact CB-CG2 4.29Å; V50-I321 HydrophobicContact CG1-CG2 4.23Å; V50-I321 CarbonylContact O-C 3.54Å; V50-I321 WeakPolarHBondContact O-CA 3.29Å; V50-F322 PolarHBondContact O-N 2.91Å
51	L	98.9	Very high	86.8	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	111.8	169.1	174.5	60.1	0	0	0	109.1	I98 F226 M227 M228 I229 F322 T324 L374	L51-I98 HydrophobicContact CD2-CG2 4.24Å; L51-F226 HydrophobicContact CB-CE2 4.02Å; L51-F226 HydrophobicContact CB-CZ 4.33Å; L51-M227 PolarHBondContact N-O 2.98Å; L51-M228 HydrophobicContact CD2-CE 4.17Å; L51-M228 HydrophobicContact CD2-CG 4.22Å; L51-M228 HydrophobicContact CD2-SD 4.26Å; L51-M228 HydrophobicContact CG-CG 4.44Å; L51-M228 CarbonylContact O-C 3.33Å; L51-M228 WeakPolarHBondContact O-CA 3.37Å; L51-I229 PolarHBondContact O-N 3.29Å; L51-F322 HydrophobicContact CD1-CB 3.77Å; L51-T324 HydrophobicContact CD1-CG2 4.01Å; L51-L374 HydrophobicContact CD1-CD1 4.36Å
52	L	98.9	Very high	89.9	Confident	3 Å²	3	33 Å²	33	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	119.6	169.4	-69.7	144.7	0	0	0	108.1	V50 I74 I229 L302 V303 L306 I321 F322 Y323 T324	V50-L52 HydrophobicContact CG1-CD1 4.27Å; V50-L52 HydrophobicContact CG1-CG 4.14Å; L52-I74 HydrophobicContact CD1-CD1 3.98Å; L52-I229 HydrophobicContact CD2-CB 4.1Å; L52-I229 HydrophobicContact CD2-CD1 4.09Å; L52-I229 HydrophobicContact CD2-CG2 4.45Å; L52-L302 HydrophobicContact CD2-CD2 3.42Å; L52-L302 VanDerWaalsContact CD2-CD2 3.42Å; L52-V303 HydrophobicContact CD1-CG2 3.91Å; L52-V303 HydrophobicContact CD2-CG2 4.14Å; L52-L306 HydrophobicContact CD1-CD2 4.24Å; L52-L306 HydrophobicContact CD2-CD2 4.19Å; L52-L306 HydrophobicContact CG-CD2 4.42Å; L52-I321 HydrophobicContact CD1-CG2 3.85Å; L52-F322 PolarHBondContact N-O 2.68Å; L52-Y323 HydrophobicContact CB-CD2 3.78Å; L52-Y323 HydrophobicContact CB-CE2 4.46Å; L52-Y323 HydrophobicContact CB-CG 4.49Å; L52-Y323 HydrophobicContact CD1-CD2 4.35Å; L52-Y323 WeakPolarHBondContact O-CA 3.29Å; L52-T324 PolarHBondContact O-N 2.91Å
53	L	98.9	Very high	92.9	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	123.1	-177.9	-177.4	70	0	0	0	109.4	R95 I98 M228 I229 A230 T231 T324 S325 D326	L53-R95 HydrophobicContact CD2-CG 4.39Å; L53-I98 HydrophobicContact CD1-CD1 3.76Å; L53-I98 HydrophobicContact CD2-CD1 3.96Å; L53-M228 HydrophobicContact CB-CE 4.43Å; L53-M228 HydrophobicContact CD2-CE 3.48Å; L53-M228 VanDerWaalsContact CD2-CE 3.48Å; L53-I229 PolarHBondContact N-O 2.68Å; L53-A230 HydrophobicContact CB-CB 4.28Å; L53-A230 HydrophobicContact CD2-CB 4.36Å; L53-A230 CarbonylContact O-C 3.59Å; L53-A230 VanDerWaalsContact O-CA 3.23Å; L53-A230 WeakPolarHBondContact O-CA 3.45Å; L53-T231 PolarHBondContact O-N 3.07Å; L53-T324 WeakPolarHBondContact CA-O 2.99Å; L53-T324 HydrophobicContact CD1-CG2 3.65Å; L53-S325 VanDerWaalsContact CD1-C 3.49Å; L53-D326 HydrophobicContact CD1-CB 4.45Å
54	T	98.8	Very high	95.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	171	169.7	49.8	0	0	0	0	111.4	Q57 A233 L296 V299 Y323 T324 S325 D326	T54-Q57 WeakPolarHBondContact OG1-CB 3.43Å; T54-Q57 PolarHBondContact OG1-OE1 3.01Å; T54-A233 VanDerWaalsContact CB-O 3.24Å; T54-A233 WeakPolarHBondContact CB-O 3.43Å; T54-L296 HydrophobicContact CG2-CD2 4.31Å; T54-V299 HydrophobicContact CG2-CG1 4.01Å; T54-V299 HydrophobicContact CG2-CG2 4.48Å; T54-Y323 HydrophobicContact CG2-CE2 4.37Å; T54-Y323 WeakPolarHBondContact CG2-OH 3.45Å; T54-T324 PolarHBondContact N-O 3.09Å; T54-T324 PolarHBondContact OG1-O 3.21Å; T54-S325 WeakPolarHBondContact OG1-CB 3.49Å; T54-D326 PolarHBondContact O-N 3.38Å
55	D	98.6	Very high	97.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-122.8	123.1	-178.8	-166.8	-34.7	0	0	0	110.4	R95 K149 S179 T231 A233 P234 H235 D326	D55-R95 IonicContact OD2-NH2 3.82Å; D55-R95 PolarHBondContact OD2-NH2 3.38Å; D55-K149 IonicContact OD1-NZ 2.65Å; D55-K149 WeakPolarHBondContact OD2-CD 3.45Å; D55-K149 VanDerWaalsContact OD2-CE 3.31Å; D55-K149 WeakPolarHBondContact OD2-CE 3.35Å; D55-K149 IonicContact OD2-NZ 3.72Å; D55-K149 PolarHBondContact OD2-NZ 2.95Å; D55-S179 PolarHBondContact OD2-OG 3.08Å; D55-T231 PolarHBondContact N-O 3.42Å; D55-A233 PolarHBondContact N-O 3.35Å; D55-A233 VanDerWaalsContact N-O 3.08Å; D55-A233 CarbonylContact O-C 3.6Å; D55-P234 CarbonylContact O-C 3.52Å; D55-P234 WeakPolarHBondContact O-CD 3.49Å; D55-H235 HydrophobicContact CB-CB 4.01Å; D55-H235 PolarHBondContact O-N 3.44Å; D55-H235 VanDerWaalsContact O-N 3.12Å; D55-H235 IonicContact OD1-CD2 3.77Å; D55-H235 PolarHBondContact OD1-CD2 2.94Å; D55-H235 IonicContact OD1-CG 2.67Å; D55-D326 VanDerWaalsContact CA-OD1 3.28Å; D55-D326 WeakPolarHBondContact CA-OD1 3.48Å
56	D	98.2	Very high	97.9	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.095	C	C	.	.	S	Bend	trans	62.6	30.9	-175.5	-63.3	-11.6	0	0	0	114.4	H235 R292 D326 N327 Y329 K340	D56-H235 VanDerWaalsContact CG-CD2 3.48Å; D56-H235 IonicContact OD1-CD2 3.7Å; D56-H235 IonicContact OD2-CD2 3.51Å; D56-H235 PolarHBondContact OD2-CD2 3.33Å; D56-H235 IonicContact OD2-CG 2.74Å; D56-H235 IonicContact OD2-NE2 3.31Å; D56-R292 VanDerWaalsContact O-CZ 3.31Å; D56-R292 PolarHBondContact O-NH1 2.74Å; D56-R292 VanDerWaalsContact O-NH1 3.11Å; D56-R292 PolarHBondContact O-NH2 3.28Å; D56-D326 PolarHBondContact N-OD1 3.23Å; D56-N327 CarbonylContact C-O 3.55Å; D56-N327 WeakPolarHBondContact CA-O 3.23Å; D56-N327 PolarHBondContact OD1-ND2 2.91Å; D56-Y329 HydrophobicContact CB-CD2 3.71Å; D56-Y329 HydrophobicContact CB-CE2 4.45Å; D56-Y329 HydrophobicContact CB-CG 4.25Å; D56-Y329 WeakPolarHBondContact O-CB 3.35Å; D56-Y329 WeakPolarHBondContact OD2-CD2 3.2Å; D56-Y329 WeakPolarHBondContact OD2-CE2 3.4Å; D56-K340 VanDerWaalsContact OD1-CD 3.24Å; D56-K340 WeakPolarHBondContact OD1-CD 3.23Å; D56-K340 WeakPolarHBondContact OD1-CE 3.21Å; D56-K340 IonicContact OD1-NZ 2.76Å; D56-K340 PolarHBondContact OD1-NZ 3.19Å; D56-K340 IonicContact OD2-NZ 3.87Å; D56-K340 PolarHBondContact OD2-NZ 3.4Å
57	Q	98.5	Very high	98.2	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.072	C	C	.	.			trans	-88.9	110.7	175.9	-171.6	-176.2	-10	0	0	112.2	T54 G63 M64 P234 L296 Y323 S325 N327 P351	T54-Q57 WeakPolarHBondContact OG1-CB 3.43Å; T54-Q57 PolarHBondContact OG1-OE1 3.01Å; Q57-G63 PolarHBondContact NE2-O 3.23Å; Q57-M64 PolarHBondContact NE2-SD 2.96Å; Q57-P234 HydrophobicContact CB-CG 4.15Å; Q57-L296 HydrophobicContact CG-CD1 4.38Å; Q57-L296 HydrophobicContact CG-CD2 4.48Å; Q57-Y323 PolarHBondContact OE1-OH 3.34Å; Q57-S325 PolarHBondContact N-OG 3.33Å; Q57-S325 WeakPolarHBondContact O-CB 3.48Å; Q57-S325 PolarHBondContact O-OG 2.92Å; Q57-N327 CarbonylContact C-O 3.51Å; Q57-N327 PolarHBondContact N-O 2.9Å; Q57-N327 VanDerWaalsContact N-O 3.1Å; Q57-P351 HydrophobicContact CG-CG 4.36Å
58	D	97.5	Very high	98.2	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.011	10%	0.098	C	C	.	.			trans	-71	150.8	171.8	65.1	-88.4	0	0	0	112.6	L61 G62 G63 R292	D58-L61 WeakPolarHBondContact OD2-CA 3.34Å; D58-L61 VanDerWaalsContact OD2-CB 3.22Å; D58-L61 WeakPolarHBondContact OD2-CB 3.49Å; D58-L61 PolarHBondContact OD2-N 2.96Å; D58-G62 PolarHBondContact OD2-N 2.87Å; D58-G63 VanDerWaalsContact O-CA 3.27Å; D58-G63 WeakPolarHBondContact O-CA 3.25Å; D58-G63 PolarHBondContact O-N 2.9Å; D58-G63 PolarHBondContact OD2-N 2.88Å; D58-R292 IonicContact OD1-NH2 2.66Å; D58-R292 PolarHBondContact OD1-NH2 3.38Å; D58-R292 VanDerWaalsContact OD1-NH2 3.1Å
59	E	97.3	Very high	98.3	Very high	58 Å²	58	21.4 Å²	21.4	27%	0.271	11%	0.111	S	C	.	.	S	Bend	trans	-92	-46	166.3	179.2	65.1	-176.8	0	0	111.3	L61 G62 M64 K349 P351	E59-L61 PolarHBondContact O-N 3.29Å; E59-G62 PolarHBondContact O-N 3.41Å; E59-M64 WeakPolarHBondContact OE2-CG 3.32Å; E59-K349 HydrophobicContact CB-CG 4.19Å; E59-K349 HydrophobicContact CG-CG 4.42Å; E59-K349 PolarHBondContact N-O 3.31Å; E59-P351 WeakPolarHBondContact OE2-CA 3.42Å; E59-P351 WeakPolarHBondContact OE2-CB 3.36Å
60	V	96.6	Very high	98.3	Very high	52 Å²	52	21.4 Å²	21.4	32%	0.315	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-18.8	-164.9	-50.3	0	0	0	0	114.5	E345 F346 K349	V60-E345 HydrophobicContact CG1-CB 4.07Å; V60-F346 HydrophobicContact CG2-CB 3.63Å; V60-K349 HydrophobicContact CG1-CB 4.3Å; V60-K349 HydrophobicContact CG1-CD 4Å; V60-K349 HydrophobicContact CG1-CG 4.47Å
61	L	97.3	Very high	98.2	Very high	5 Å²	5	24.7 Å²	24.7	3%	0.026	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	14.5	177.3	-49.9	179	0	0	0	111.7	D58 E59 P254 F289 Y329 Q333 F346	D58-L61 WeakPolarHBondContact OD2-CA 3.34Å; D58-L61 VanDerWaalsContact OD2-CB 3.22Å; D58-L61 WeakPolarHBondContact OD2-CB 3.49Å; D58-L61 PolarHBondContact OD2-N 2.96Å; E59-L61 PolarHBondContact O-N 3.29Å; L61-P254 HydrophobicContact CB-CG 4.09Å; L61-P254 WeakPolarHBondContact O-CG 3.31Å; L61-F289 HydrophobicContact CB-CE2 4.29Å; L61-F289 WeakPolarHBondContact O-CE2 2.99Å; L61-F289 WeakPolarHBondContact O-CZ 3.42Å; L61-Y329 WeakPolarHBondContact CD1-O 3.31Å; L61-Q333 VanDerWaalsContact CD1-OE1 3.24Å; L61-F346 HydrophobicContact CD1-CB 4.22Å; L61-F346 HydrophobicContact CG-CB 4.29Å
62	G	97.3	Very high	98.2	Very high	18 Å²	18	26.4 Å²	26.4	19%	0.186	14%	0.139	C	C	.	.	S	Bend	trans	86.1	22.6	172.5	0	0	0	0	0	114.1	D58 E59 M64 T65 W293	D58-G62 PolarHBondContact OD2-N 2.87Å; E59-G62 PolarHBondContact O-N 3.41Å; G62-M64 PolarHBondContact O-N 3.43Å; G62-M64 VanDerWaalsContact O-N 3.08Å; G62-T65 WeakPolarHBondContact O-CB 3.09Å; G62-T65 PolarHBondContact O-N 3.26Å; G62-T65 PolarHBondContact O-OG1 2.85Å; G62-W293 WeakPolarHBondContact O-CZ2 3.03Å
63	G	97.8	Very high	98.2	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.01	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-23.4	173.8	0	0	0	0	0	114.6	Q57 D58 P66 L296	Q57-G63 PolarHBondContact NE2-O 3.23Å; D58-G63 VanDerWaalsContact O-CA 3.27Å; D58-G63 WeakPolarHBondContact O-CA 3.25Å; D58-G63 PolarHBondContact O-N 2.9Å; D58-G63 PolarHBondContact OD2-N 2.88Å; G63-P66 WeakPolarHBondContact O-CD 3.31Å; G63-L296 VanDerWaalsContact O-CD1 3.3Å; G63-L296 WeakPolarHBondContact O-CD1 3.29Å
64	M	98.4	Very high	98.2	Very high	18 Å²	18	28 Å²	28	9%	0.089	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-5.5	172.2	-71.1	-58.5	-59.6	0	0	114.9	Q57 E59 G62 L67 K71 Y323 P351 L353	Q57-M64 PolarHBondContact NE2-SD 2.96Å; E59-M64 WeakPolarHBondContact OE2-CG 3.32Å; G62-M64 PolarHBondContact O-N 3.43Å; G62-M64 VanDerWaalsContact O-N 3.08Å; M64-L67 HydrophobicContact CE-CB 4.23Å; M64-L67 HydrophobicContact CE-CD1 4.01Å; M64-L67 PolarHBondContact O-N 3.1Å; M64-L67 HydrophobicContact SD-CD1 3.63Å; M64-K71 HydrophobicContact CE-CD 4.47Å; M64-K71 HydrophobicContact CE-CG 3.82Å; M64-K71 VanDerWaalsContact O-CE 3.32Å; M64-K71 WeakPolarHBondContact O-CE 3.44Å; M64-K71 PolarHBondContact O-NZ 3.17Å; M64-Y323 HydrophobicContact CE-CE1 4.41Å; M64-Y323 HydrophobicContact SD-CD1 4.43Å; M64-Y323 HydrophobicContact SD-CE1 3.88Å; M64-P351 HydrophobicContact CG-CB 3.64Å; M64-P351 HydrophobicContact CG-CG 4.21Å; M64-P351 HydrophobicContact SD-CB 3.41Å; M64-P351 WeakPolarHBondContact SD-CB 3.23Å; M64-P351 HydrophobicContact SD-CG 3.78Å; M64-L353 HydrophobicContact CE-CD1 3.64Å; M64-L353 HydrophobicContact CE-CG 4.36Å
65	T	98.3	Very high	98.2	Very high	65 Å²	65	28.3 Å²	28.3	40%	0.399	15%	0.15	S	C	.	.	S	Bend	trans	-60.9	-50.3	179.5	-55.9	0	0	0	0	113.4	G62 L67 K71 W293	G62-T65 WeakPolarHBondContact O-CB 3.09Å; G62-T65 PolarHBondContact O-N 3.26Å; G62-T65 PolarHBondContact O-OG1 2.85Å; T65-L67 PolarHBondContact O-N 2.88Å; T65-K71 PolarHBondContact O-NZ 3.42Å; T65-W293 HydrophobicContact CG2-CH2 3.66Å; T65-W293 HydrophobicContact CG2-CZ2 4.26Å; T65-W293 HydrophobicContact CG2-CZ3 3.88Å
66	P	98.2	Very high	98.2	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.026	17%	0.173	C	C	.	.	S	Bend	trans	-68.1	-20.8	-179	26.5	-35.4	0	0	0	113.9	G63 K68 F248 W293 L296 L297	G63-P66 WeakPolarHBondContact O-CD 3.31Å; P66-K68 VanDerWaalsContact C-N 3.33Å; P66-K68 PolarHBondContact O-N 3.1Å; P66-F248 HydrophobicContact CB-CE2 4.01Å; P66-F248 HydrophobicContact CB-CZ 3.86Å; P66-W293 HydrophobicContact CB-CB 4.42Å; P66-W293 HydrophobicContact CG-CB 4.19Å; P66-W293 HydrophobicContact CG-CD2 4.4Å; P66-W293 HydrophobicContact CG-CG 4.02Å; P66-L296 HydrophobicContact CB-CB 4.29Å; P66-L296 HydrophobicContact CG-CB 3.74Å; P66-L296 HydrophobicContact CG-CD1 3.66Å; P66-L296 HydrophobicContact CG-CG 4.36Å; P66-L297 HydrophobicContact CB-CD2 4.16Å; P66-L297 HydrophobicContact CB-CG 4.5Å
67	L	98.7	Very high	98.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.192	C	C	.	.			trans	-87.2	60.1	-171.3	-64.5	171.3	0	0	0	113.4	M64 T65 K71 L296 V299 D300 Y323	M64-L67 HydrophobicContact CE-CB 4.23Å; M64-L67 HydrophobicContact CE-CD1 4.01Å; M64-L67 PolarHBondContact O-N 3.1Å; M64-L67 HydrophobicContact SD-CD1 3.63Å; T65-L67 PolarHBondContact O-N 2.88Å; L67-K71 WeakPolarHBondContact O-CE 3.42Å; L67-K71 WeakPolarHBondContact O-CG 3.15Å; L67-K71 PolarHBondContact O-N 3.34Å; L67-K71 VanDerWaalsContact O-N 3.12Å; L67-L296 HydrophobicContact CD1-CD2 4.33Å; L67-L296 HydrophobicContact CD2-CB 4.09Å; L67-L296 HydrophobicContact CD2-CD2 4.37Å; L67-L296 VanDerWaalsContact CD2-O 3.25Å; L67-L296 WeakPolarHBondContact CD2-O 3.19Å; L67-L296 HydrophobicContact CG-CB 4.39Å; L67-V299 HydrophobicContact CD2-CB 4.3Å; L67-V299 HydrophobicContact CD2-CG1 4.46Å; L67-D300 VanDerWaalsContact CA-OD1 3.24Å; L67-D300 WeakPolarHBondContact CA-OD1 3.06Å; L67-D300 HydrophobicContact CD2-CB 3.78Å; L67-Y323 HydrophobicContact CD1-CE1 3.98Å; L67-Y323 WeakPolarHBondContact CD1-OH 3.26Å
68	K	98.7	Very high	98.2	Very high	159 Å²	159	37.1 Å²	37.1	69%	0.691	19%	0.192	S	C	*	.	H	α-helix	trans	-64.9	-43.1	-175.8	-67.7	-176.6	179.9	-179.9	0	112.1	P66 A72 D300	P66-K68 VanDerWaalsContact C-N 3.33Å; P66-K68 PolarHBondContact O-N 3.1Å; K68-A72 PolarHBondContact O-N 2.9Å; K68-A72 VanDerWaalsContact O-N 3.12Å; K68-D300 PolarHBondContact N-OD2 2.99Å; K68-D300 VanDerWaalsContact N-OD2 3.11Å
69	K	98.8	Very high	98.3	Very high	62 Å²	62	37.8 Å²	37.8	27%	0.27	20%	0.196	S	C	.	.	H	α-helix	trans	-69.3	-41.4	-178.1	-57.2	166	179.6	-167.5	0	110.6	K71 A72 L73 D300 D301 E304	K69-K71 PolarHBondContact O-N 3.02Å; K69-A72 PolarHBondContact O-N 3.31Å; K69-L73 HydrophobicContact CB-CD1 4.27Å; K69-L73 WeakPolarHBondContact O-CB 3.17Å; K69-L73 VanDerWaalsContact O-CG 3.23Å; K69-L73 WeakPolarHBondContact O-CG 3.43Å; K69-L73 PolarHBondContact O-N 3.14Å; K69-D300 WeakPolarHBondContact CB-OD2 3.35Å; K69-D300 HydrophobicContact CD-CB 4.45Å; K69-D300 VanDerWaalsContact CG-OD2 3.25Å; K69-D300 WeakPolarHBondContact CG-OD2 3.38Å; K69-D300 PolarHBondContact N-OD1 3.19Å; K69-D300 VanDerWaalsContact N-OD1 3.16Å; K69-D300 PolarHBondContact N-OD2 3.34Å; K69-D301 IonicContact NZ-OD1 3.2Å; K69-D301 PolarHBondContact NZ-OD1 2.64Å; K69-E304 HydrophobicContact CB-CB 4.28Å; K69-E304 HydrophobicContact CD-CB 3.88Å; K69-E304 HydrophobicContact CD-CG 4.34Å; K69-E304 WeakPolarHBondContact CD-OE2 3.49Å; K69-E304 WeakPolarHBondContact CE-OE2 3.36Å; K69-E304 IonicContact NZ-OE2 3.73Å; K69-E304 PolarHBondContact NZ-OE2 3.06Å
70	T	98.9	Very high	98.3	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61	-45.9	177.6	-54.2	0	0	0	0	111	L73 I74 G75 D300 V303 Y323 L353	T70-L73 PolarHBondContact O-N 3.49Å; T70-I74 HydrophobicContact CG2-CD1 4.12Å; T70-I74 WeakPolarHBondContact O-CB 3.32Å; T70-I74 PolarHBondContact O-N 2.74Å; T70-G75 PolarHBondContact O-N 2.66Å; T70-D300 WeakPolarHBondContact CB-OD1 3.03Å; T70-D300 PolarHBondContact N-OD1 3.2Å; T70-D300 PolarHBondContact OG1-OD1 2.92Å; T70-V303 HydrophobicContact CG2-CG1 4.21Å; T70-V303 HydrophobicContact CG2-CG2 4.25Å; T70-Y323 HydrophobicContact CG2-CD1 4.18Å; T70-Y323 HydrophobicContact CG2-CD2 3.52Å; T70-Y323 HydrophobicContact CG2-CE1 4.42Å; T70-Y323 HydrophobicContact CG2-CE2 3.77Å; T70-Y323 HydrophobicContact CG2-CG 3.76Å; T70-L353 HydrophobicContact CG2-CD1 4.06Å
71	K	98.7	Very high	98.4	Very high	69 Å²	69	34.6 Å²	34.6	30%	0.3	18%	0.18	S	C	.	.	I	π-helix	trans	-58.8	-47.9	174.6	-74.4	-178.8	-61.3	-156.6	0	111.8	M64 T65 L67 K69 G75 E76	M64-K71 HydrophobicContact CE-CD 4.47Å; M64-K71 HydrophobicContact CE-CG 3.82Å; M64-K71 VanDerWaalsContact O-CE 3.32Å; M64-K71 WeakPolarHBondContact O-CE 3.44Å; M64-K71 PolarHBondContact O-NZ 3.17Å; T65-K71 PolarHBondContact O-NZ 3.42Å; L67-K71 WeakPolarHBondContact O-CE 3.42Å; L67-K71 WeakPolarHBondContact O-CG 3.15Å; L67-K71 PolarHBondContact O-N 3.34Å; L67-K71 VanDerWaalsContact O-N 3.12Å; K69-K71 PolarHBondContact O-N 3.02Å; K71-G75 CarbonylContact O-C 3.55Å; K71-G75 VanDerWaalsContact O-CA 3.23Å; K71-G75 WeakPolarHBondContact O-CA 3.37Å; K71-G75 PolarHBondContact O-N 2.93Å; K71-E76 PolarHBondContact O-N 3.39Å
72	A	98.8	Very high	98.4	Very high	36 Å²	36	36.3 Å²	36.3	30%	0.298	19%	0.192	S	C	.	.	I	π-helix	trans	-66.3	-46.1	179.2	0	0	0	0	0	112.8	K68 K69 M77	K68-A72 PolarHBondContact O-N 2.9Å; K68-A72 VanDerWaalsContact O-N 3.12Å; K69-A72 PolarHBondContact O-N 3.31Å; A72-M77 WeakPolarHBondContact O-CG 3.5Å
73	L	98.8	Very high	98.3	Very high	39 Å²	39	35.6 Å²	35.6	20%	0.204	18%	0.184	C	C	.	.	I	π-helix	trans	-82.4	-22.6	-170.9	-67.4	171	0	0	0	114	K69 T70 E304 V307 R355	K69-L73 HydrophobicContact CB-CD1 4.27Å; K69-L73 WeakPolarHBondContact O-CB 3.17Å; K69-L73 VanDerWaalsContact O-CG 3.23Å; K69-L73 WeakPolarHBondContact O-CG 3.43Å; K69-L73 PolarHBondContact O-N 3.14Å; T70-L73 PolarHBondContact O-N 3.49Å; L73-E304 HydrophobicContact CD1-CB 3.89Å; L73-E304 HydrophobicContact CD1-CG 4.05Å; L73-V307 HydrophobicContact CB-CG1 4.29Å; L73-V307 HydrophobicContact CB-CG2 4.28Å; L73-V307 HydrophobicContact CD1-CB 4.36Å; L73-V307 HydrophobicContact CD2-CG1 4.17Å; L73-R355 WeakPolarHBondContact O-CD 3.47Å; L73-R355 PolarHBondContact O-NH1 3.02Å
74	I	98.8	Very high	98.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.185	C	C	.	.	I	π-helix	trans	-117.7	-56.4	179.9	-55.1	177.9	0	0	0	110.6	L52 T70 M77 G78 V303 I321 L353 R355	L52-I74 HydrophobicContact CD1-CD1 3.98Å; T70-I74 HydrophobicContact CG2-CD1 4.12Å; T70-I74 WeakPolarHBondContact O-CB 3.32Å; T70-I74 PolarHBondContact O-N 2.74Å; I74-M77 CarbonylContact O-C 3.33Å; I74-G78 PolarHBondContact O-N 2.99Å; I74-G78 VanDerWaalsContact O-N 3.11Å; I74-V303 HydrophobicContact CD1-CG1 3.69Å; I74-V303 HydrophobicContact CG1-CG1 4.17Å; I74-I321 HydrophobicContact CD1-CG2 3.64Å; I74-I321 HydrophobicContact CG1-CG2 4.16Å; I74-L353 HydrophobicContact CB-CB 4.3Å; I74-L353 HydrophobicContact CG2-CB 3.64Å; I74-R355 HydrophobicContact CG2-CB 3.98Å
75	G	98.4	Very high	98.4	Very high	5 Å²	5	34.9 Å²	34.9	5%	0.052	18%	0.181	C	C	.	.	I	π-helix	trans	-63.4	-58.4	-174.5	0	0	0	0	0	113.2	T70 K71 M77 G78	T70-G75 PolarHBondContact O-N 2.66Å; K71-G75 CarbonylContact O-C 3.55Å; K71-G75 VanDerWaalsContact O-CA 3.23Å; K71-G75 WeakPolarHBondContact O-CA 3.37Å; K71-G75 PolarHBondContact O-N 2.93Å; G75-M77 VanDerWaalsContact C-N 3.27Å; G75-M77 PolarHBondContact O-N 3.5Å; G75-G78 CarbonylContact O-C 3.51Å; G75-G78 VanDerWaalsContact O-C 3.31Å; G75-G78 PolarHBondContact O-N 3.32Å; G75-G78 VanDerWaalsContact O-N 3.15Å
76	E	98.6	Very high	98.4	Very high	105 Å²	105	31.8 Å²	31.8	49%	0.491	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-29.5	179.8	-65.6	171.9	-166.2	0	0	111.9	K71 G78 P361 N362	K71-E76 PolarHBondContact O-N 3.39Å; E76-G78 VanDerWaalsContact C-N 3.26Å; E76-G78 PolarHBondContact O-N 3.34Å; E76-P361 CarbonylContact O-C 3.52Å; E76-P361 WeakPolarHBondContact O-CA 3.29Å; E76-P361 WeakPolarHBondContact O-CB 3.22Å; E76-N362 PolarHBondContact O-N 3.08Å; E76-N362 PolarHBondContact O-OD1 3.45Å
77	M	98.5	Very high	98.4	Very high	82 Å²	82	31.6 Å²	31.6	40%	0.404	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	10.4	175.7	-65.6	-57.5	-64.5	0	0	113.8	A72 I74 G75	A72-M77 WeakPolarHBondContact O-CG 3.5Å; I74-M77 CarbonylContact O-C 3.33Å; G75-M77 VanDerWaalsContact C-N 3.27Å; G75-M77 PolarHBondContact O-N 3.5Å
78	G	98.4	Very high	98.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-161.8	-131.8	-177.9	0	0	0	0	0	112.8	I74 G75 E76 V354 K360 N362 Q363	I74-G78 PolarHBondContact O-N 2.99Å; I74-G78 VanDerWaalsContact O-N 3.11Å; G75-G78 CarbonylContact O-C 3.51Å; G75-G78 VanDerWaalsContact O-C 3.31Å; G75-G78 PolarHBondContact O-N 3.32Å; G75-G78 VanDerWaalsContact O-N 3.15Å; E76-G78 VanDerWaalsContact C-N 3.26Å; E76-G78 PolarHBondContact O-N 3.34Å; G78-V354 CarbonylContact C-O 3.48Å; G78-V354 WeakPolarHBondContact CA-O 3.44Å; G78-K360 CarbonylContact C-O 3.38Å; G78-N362 PolarHBondContact O-N 3.43Å; G78-Q363 PolarHBondContact O-N 2.93Å
79	M	98.5	Very high	98.4	Very high	16 Å²	16	24.1 Å²	24.1	8%	0.079	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.3	-176	-173.8	177.9	-68.5	0	0	111.1	F81 V354 I359 Q363 I399 L400	M79-F81 HydrophobicContact CG-CD2 4.45Å; M79-F81 HydrophobicContact CG-CE2 4.13Å; M79-F81 HydrophobicContact SD-CE1 4.37Å; M79-F81 HydrophobicContact SD-CE2 3.83Å; M79-F81 HydrophobicContact SD-CZ 3.71Å; M79-V354 PolarHBondContact N-O 3.44Å; M79-V354 PolarHBondContact O-N 3.45Å; M79-I359 HydrophobicContact CB-CG2 3.94Å; M79-Q363 WeakPolarHBondContact CA-O 3.31Å; M79-Q363 HydrophobicContact CB-CB 3.98Å; M79-Q363 HydrophobicContact CE-CB 4.03Å; M79-Q363 HydrophobicContact CG-CB 4Å; M79-I399 HydrophobicContact SD-CG2 4.16Å; M79-L400 HydrophobicContact SD-CD2 4.04Å
80	T	98.6	Very high	98.3	Very high	40 Å²	40	21.2 Å²	21.2	25%	0.245	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	130.9	168.8	-60.1	0	0	0	0	109.7	L353 Q363 T364 S365	T80-L353 HydrophobicContact CG2-CD2 3.63Å; T80-L353 WeakPolarHBondContact OG1-CD2 3.36Å; T80-Q363 PolarHBondContact N-O 3.34Å; T80-T364 CarbonylContact O-C 3.57Å; T80-T364 VanDerWaalsContact O-CA 3.31Å; T80-T364 WeakPolarHBondContact O-CA 3.48Å; T80-S365 PolarHBondContact O-N 3.23Å
81	F	98.2	Very high	98.3	Very high	3 Å²	3	21.2 Å²	21.2	1%	0.013	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	118.1	171.7	-71	-101.5	0	0	0	109.6	M79 S83 A84 L352 V354 S365 V369 L396 I399 L400	M79-F81 HydrophobicContact CG-CD2 4.45Å; M79-F81 HydrophobicContact CG-CE2 4.13Å; M79-F81 HydrophobicContact SD-CE1 4.37Å; M79-F81 HydrophobicContact SD-CE2 3.83Å; M79-F81 HydrophobicContact SD-CZ 3.71Å; F81-S83 PolarHBondContact O-N 2.98Å; F81-A84 HydrophobicContact CB-CB 4.49Å; F81-L352 HydrophobicContact CB-CB 4.15Å; F81-L352 HydrophobicContact CB-CD2 4.06Å; F81-L352 HydrophobicContact CB-CG 4.32Å; F81-L352 HydrophobicContact CD2-CD2 3.74Å; F81-L352 HydrophobicContact CD2-CG 3.94Å; F81-L352 HydrophobicContact CE2-CD2 4.34Å; F81-L352 HydrophobicContact CG-CD2 3.9Å; F81-L352 HydrophobicContact CG-CG 4.38Å; F81-L352 PolarHBondContact N-O 2.92Å; F81-V354 HydrophobicContact CD2-CG2 4.24Å; F81-V354 HydrophobicContact CE2-CG2 3.87Å; F81-S365 WeakPolarHBondContact CA-O 3.5Å; F81-V369 HydrophobicContact CB-CG2 4.07Å; F81-V369 HydrophobicContact CD1-CB 4.41Å; F81-V369 HydrophobicContact CD1-CG1 3.64Å; F81-V369 HydrophobicContact CD1-CG2 3.83Å; F81-V369 HydrophobicContact CE1-CG1 3.72Å; F81-V369 HydrophobicContact CG-CG2 4.11Å; F81-L396 HydrophobicContact CZ-CD1 4.31Å; F81-I399 HydrophobicContact CE1-CD1 4.45Å; F81-I399 HydrophobicContact CE1-CG2 4.08Å; F81-I399 HydrophobicContact CZ-CG2 4.17Å; F81-L400 HydrophobicContact CE2-CD2 3.82Å; F81-L400 HydrophobicContact CZ-CD2 3.89Å
82	S	96.5	Very high	98.3	Very high	41 Å²	41	17.9 Å²	17.9	29%	0.287	10%	0.102	S	C	.	.	S	Bend	trans	-79.8	-4.2	-178.8	65.4	0	0	0	0	114.2	K349 S365	S82-K349 WeakPolarHBondContact O-CE 3.34Å; S82-K349 PolarHBondContact O-NZ 2.48Å; S82-K349 VanDerWaalsContact O-NZ 3.11Å; S82-S365 PolarHBondContact N-O 3.16Å; S82-S365 PolarHBondContact OG-O 3.18Å
83	S	96.6	Very high	98.3	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.014	9%	0.087	C	C	.	.			trans	-139.2	52.6	-166.3	-53.1	0	0	0	0	110.6	F81 K366 V369 M458	F81-S83 PolarHBondContact O-N 2.98Å; S83-K366 PolarHBondContact OG-O 2.98Å; S83-V369 PolarHBondContact O-N 3.49Å; S83-M458 VanDerWaalsContact CB-SD 3.59Å; S83-M458 VanDerWaalsContact OG-CE 3.22Å; S83-M458 WeakPolarHBondContact OG-CE 3.43Å; S83-M458 PolarHBondContact OG-SD 2.81Å
84	A	98.5	Very high	98.3	Very high	3 Å²	3	14.3 Å²	14.3	3%	0.025	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.3	178.6	0	0	0	0	0	111.3	F81 K349 V350 L352 V369	F81-A84 HydrophobicContact CB-CB 4.49Å; A84-K349 WeakPolarHBondContact O-CA 3.27Å; A84-V350 HydrophobicContact CB-CG2 4.47Å; A84-V350 WeakPolarHBondContact CB-O 3.49Å; A84-V350 PolarHBondContact O-N 2.85Å; A84-L352 HydrophobicContact CB-CB 3.54Å; A84-L352 HydrophobicContact CB-CD2 4.18Å; A84-V369 WeakPolarHBondContact CA-O 3.43Å; A84-V369 HydrophobicContact CB-CG2 3.67Å
85	Y	98.7	Very high	98.3	Very high	1 Å²	1	14.5 Å²	14.5	0%	0.004	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	162.3	-173.5	-64.6	-90.6	0	0	0	112.6	E345 I348 K349 L368 V369 A370 N371 V412 R456 M458	Y85-E345 VanDerWaalsContact CE1-OE1 3.26Å; Y85-E345 WeakPolarHBondContact CE1-OE1 3.21Å; Y85-E345 PolarHBondContact OH-OE1 3.24Å; Y85-E345 PolarHBondContact OH-OE2 2.76Å; Y85-I348 CarbonylContact C-O 3.58Å; Y85-I348 VanDerWaalsContact CA-O 3.23Å; Y85-I348 WeakPolarHBondContact CA-O 3.3Å; Y85-I348 HydrophobicContact CD1-CD1 3.84Å; Y85-I348 HydrophobicContact CD1-CG1 3.96Å; Y85-I348 HydrophobicContact CE1-CD1 4.14Å; Y85-I348 HydrophobicContact CE1-CG1 4.33Å; Y85-K349 HydrophobicContact CD1-CB 4.15Å; Y85-K349 HydrophobicContact CE1-CB 3.94Å; Y85-K349 HydrophobicContact CE1-CD 4.24Å; Y85-K349 HydrophobicContact CE1-CG 4.23Å; Y85-L368 HydrophobicContact CD2-CD1 3.41Å; Y85-L368 VanDerWaalsContact CD2-CD1 3.41Å; Y85-L368 HydrophobicContact CE2-CD1 3.28Å; Y85-V369 PolarHBondContact N-O 2.71Å; Y85-A370 CarbonylContact O-C 3.5Å; Y85-A370 WeakPolarHBondContact O-CA 3.47Å; Y85-N371 PolarHBondContact O-N 3.22Å; Y85-V412 HydrophobicContact CD2-CG2 4.37Å; Y85-V412 HydrophobicContact CG-CG2 4.36Å; Y85-R456 HydrophobicContact CD1-CG 4.25Å; Y85-R456 HydrophobicContact CD2-CG 4.5Å; Y85-R456 HydrophobicContact CE1-CG 3.9Å; Y85-R456 HydrophobicContact CE2-CG 4.17Å; Y85-R456 PolarHBondContact OH-NE 2.93Å; Y85-R456 PolarHBondContact OH-NH2 2.98Å; Y85-M458 HydrophobicContact CE2-SD 4.05Å
86	V	98.7	Very high	98.3	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.006	8%	0.076	C	C	.	.			trans	-108.3	141.6	175.3	-50.5	0	0	0	0	109.5	S88 D326 N327 I348 V350 N371	V86-S88 WeakPolarHBondContact CG2-O 3.5Å; V86-S88 PolarHBondContact O-N 2.73Å; V86-D326 WeakPolarHBondContact CB-O 3.33Å; V86-D326 WeakPolarHBondContact CG1-O 3.47Å; V86-N327 HydrophobicContact CG2-CB 4.25Å; V86-I348 HydrophobicContact CG2-CB 4.44Å; V86-I348 PolarHBondContact N-O 3.25Å; V86-V350 HydrophobicContact CG1-CB 4.19Å; V86-V350 HydrophobicContact CG1-CG1 3.47Å; V86-V350 VanDerWaalsContact CG1-CG1 3.47Å; V86-V350 HydrophobicContact CG1-CG2 3.61Å; V86-N371 WeakPolarHBondContact CG1-ND2 3.24Å
87	P	98.4	Very high	98.3	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.053	C	C	.	.	S	Bend	trans	-73.6	-11.9	178.9	32.3	-37.4	0	0	0	112.4	S97 Y103 I372 V414 E415	P87-S97 WeakPolarHBondContact CG-OG 3.32Å; P87-Y103 HydrophobicContact CB-CD1 3.68Å; P87-Y103 HydrophobicContact CB-CE1 4.06Å; P87-I372 HydrophobicContact CB-CG2 4.31Å; P87-I372 HydrophobicContact CG-CG2 4.05Å; P87-V414 CarbonylContact O-C 3.52Å; P87-V414 WeakPolarHBondContact O-CA 3.43Å; P87-E415 PolarHBondContact O-N 3.05Å
88	S	98.5	Very high	98.3	Very high	2 Å²	2	5.4 Å²	5.4	1%	0.014	3%	0.033	C	C	.	.			trans	-155.8	137.6	172.9	-168	0	0	0	0	109.9	V86 L90 S94 E415	V86-S88 WeakPolarHBondContact CG2-O 3.5Å; V86-S88 PolarHBondContact O-N 2.73Å; S88-L90 PolarHBondContact O-N 2.79Å; S88-S94 WeakPolarHBondContact O-CB 3.36Å; S88-E415 WeakPolarHBondContact CA-O 3.48Å; S88-E415 WeakPolarHBondContact CB-O 3.42Å; S88-E415 PolarHBondContact OG-O 2.99Å
89	A	98.1	Very high	98.3	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.034	C	C	.	.	S	Bend	trans	-83.7	44.6	178.3	0	0	0	0	0	112.1	K340 R341 D347 I348	A89-K340 WeakPolarHBondContact O-CB 3.17Å; A89-K340 VanDerWaalsContact O-CG 3.24Å; A89-K340 WeakPolarHBondContact O-CG 3.45Å; A89-R341 PolarHBondContact O-N 2.98Å; A89-R341 VanDerWaalsContact O-N 3.13Å; A89-D347 HydrophobicContact CB-CB 3.95Å; A89-I348 HydrophobicContact CB-CG2 4.21Å
90	L	98.1	Very high	98.4	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.031	C	C	.	.	S	Bend	trans	-148.7	141.3	179.9	-170.3	62.3	0	0	0	111.5	S88 C92 P93 S94 N111 N112 R341 Y416	S88-L90 PolarHBondContact O-N 2.79Å; L90-C92 PolarHBondContact O-N 2.95Å; L90-P93 HydrophobicContact CB-CG 4.22Å; L90-P93 HydrophobicContact CD2-CG 4.21Å; L90-P93 HydrophobicContact CG-CG 4.42Å; L90-P93 WeakPolarHBondContact O-CD 3.46Å; L90-S94 VanDerWaalsContact O-CB 3.3Å; L90-S94 WeakPolarHBondContact O-CB 3.42Å; L90-S94 PolarHBondContact O-N 3.09Å; L90-N111 HydrophobicContact CD2-CB 4.21Å; L90-N112 WeakPolarHBondContact CD1-ND2 3.24Å; L90-R341 HydrophobicContact CD1-CG 4.26Å; L90-R341 VanDerWaalsContact CD1-CZ 3.4Å; L90-Y416 HydrophobicContact CB-CD2 4.43Å; L90-Y416 HydrophobicContact CB-CE2 4.1Å; L90-Y416 HydrophobicContact CD2-CE2 3.94Å
91	C	98.4	Very high	98.4	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-51.1	-64	-169.9	-51.7	0	0	0	0	114.1	S94 R95 N152 N327	C91-S94 PolarHBondContact O-N 3.18Å; C91-R95 VanDerWaalsContact O-CB 3.26Å; C91-R95 WeakPolarHBondContact O-CB 3.5Å; C91-R95 WeakPolarHBondContact O-CG 3.41Å; C91-R95 PolarHBondContact O-N 3.3Å; C91-N152 VanDerWaalsContact CB-OD1 3.31Å; C91-N152 WeakPolarHBondContact CB-OD1 3.48Å; C91-N327 PolarHBondContact N-OD1 2.91Å
92	C	98.2	Very high	98.4	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-65.3	-47.9	-174.5	-65.1	0	0	0	0	113.1	L90 S94 R95 A96 V109 N111 N112 C118 L151 N152	L90-C92 PolarHBondContact O-N 2.95Å; C92-S94 PolarHBondContact O-N 2.69Å; C92-R95 PolarHBondContact O-N 3.2Å; C92-A96 WeakPolarHBondContact O-CB 3.34Å; C92-A96 PolarHBondContact O-N 3.07Å; C92-V109 HydrophobicContact CB-CG1 3.86Å; C92-N111 WeakPolarHBondContact CB-O 3.37Å; C92-N112 WeakPolarHBondContact CB-OD1 3.37Å; C92-N112 PolarHBondContact N-OD1 3.46Å; C92-N112 PolarHBondContact SG-OD1 2.93Å; C92-N112 VanDerWaalsContact SG-OD1 3.35Å; C92-C118 HydrophobicContact CB-CB 3.52Å; C92-C118 WeakPolarHBondContact CB-SG 3.46Å; C92-C118 WeakPolarHBondContact SG-CB 3.33Å; C92-C118 CovalentContact SG-SG 2.02Å; C92-C118 PolarHBondContact SG-SG 3.11Å; C92-L151 HydrophobicContact CB-CD2 4.23Å; C92-N152 WeakPolarHBondContact SG-CB 3.32Å; C92-N152 VanDerWaalsContact SG-CG 3.5Å; C92-N152 PolarHBondContact SG-N 2.97Å; C92-N152 PolarHBondContact SG-OD1 3.37Å; C92-N152 VanDerWaalsContact SG-OD1 3.34Å
93	P	98.6	Very high	98.5	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-56.4	-47.7	176.5	-28.7	38.2	0	0	0	112.3	L90 A96 S97 H107 V109 V110	L90-P93 HydrophobicContact CB-CG 4.22Å; L90-P93 HydrophobicContact CD2-CG 4.21Å; L90-P93 HydrophobicContact CG-CG 4.42Å; L90-P93 WeakPolarHBondContact O-CD 3.46Å; P93-A96 PolarHBondContact O-N 2.85Å; P93-S97 PolarHBondContact O-N 3.2Å; P93-S97 PolarHBondContact O-OG 3.4Å; P93-H107 PolarHBondContact O-CE1 3.5Å; P93-H107 PolarHBondContact O-NE2 2.79Å; P93-V109 WeakPolarHBondContact CB-O 3.32Å; P93-V109 HydrophobicContact CG-CG1 4.49Å; P93-V110 VanDerWaalsContact CG-C 3.47Å; P93-V110 WeakPolarHBondContact CG-O 3.44Å
94	S	98.7	Very high	98.6	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-66.1	-44	-179.9	-171.5	0	0	0	0	113.1	S88 L90 C91 C92 A96 S97 I98 D326	S88-S94 WeakPolarHBondContact O-CB 3.36Å; L90-S94 VanDerWaalsContact O-CB 3.3Å; L90-S94 WeakPolarHBondContact O-CB 3.42Å; L90-S94 PolarHBondContact O-N 3.09Å; C91-S94 PolarHBondContact O-N 3.18Å; C92-S94 PolarHBondContact O-N 2.69Å; S94-A96 VanDerWaalsContact C-N 3.34Å; S94-A96 PolarHBondContact O-N 3Å; S94-S97 CarbonylContact O-C 3.56Å; S94-S97 WeakPolarHBondContact O-CA 3.05Å; S94-S97 VanDerWaalsContact O-CB 3.27Å; S94-S97 WeakPolarHBondContact O-CB 3.4Å; S94-S97 PolarHBondContact O-N 3.36Å; S94-S97 VanDerWaalsContact O-N 3.1Å; S94-I98 WeakPolarHBondContact O-CG1 3.37Å; S94-I98 PolarHBondContact O-N 3.41Å; S94-D326 WeakPolarHBondContact CB-O 3.45Å; S94-D326 PolarHBondContact OG-O 2.94Å
95	R	98.8	Very high	98.5	Very high	4 Å²	4	4.9 Å²	4.9	2%	0.015	2%	0.023	C	C	.	.	H	α-helix	trans	-65.5	-38.1	177.2	-69.8	175.3	-176.9	-97.6	-13.8	111.9	L53 D55 C91 C92 S97 I98 L99 K149 Y150 L151 D326	L53-R95 HydrophobicContact CD2-CG 4.39Å; D55-R95 IonicContact OD2-NH2 3.82Å; D55-R95 PolarHBondContact OD2-NH2 3.38Å; C91-R95 VanDerWaalsContact O-CB 3.26Å; C91-R95 WeakPolarHBondContact O-CB 3.5Å; C91-R95 WeakPolarHBondContact O-CG 3.41Å; C91-R95 PolarHBondContact O-N 3.3Å; C92-R95 PolarHBondContact O-N 3.2Å; R95-S97 VanDerWaalsContact C-N 3.27Å; R95-S97 PolarHBondContact O-N 3.18Å; R95-I98 PolarHBondContact O-N 3.16Å; R95-L99 WeakPolarHBondContact O-CD1 3.36Å; R95-L99 VanDerWaalsContact O-CG 3.25Å; R95-L99 WeakPolarHBondContact O-CG 3.22Å; R95-L99 PolarHBondContact O-N 3.28Å; R95-K149 PolarHBondContact NH1-O 3.19Å; R95-Y150 WeakPolarHBondContact CD-O 3.35Å; R95-L151 HydrophobicContact CB-CD2 3.64Å; R95-D326 HydrophobicContact CG-CB 3.82Å; R95-D326 IonicContact CZ-OD2 3.1Å; R95-D326 IonicContact NE-OD2 2.78Å; R95-D326 PolarHBondContact NE-OD2 3Å; R95-D326 IonicContact NH2-OD2 3.37Å; R95-D326 PolarHBondContact NH2-OD2 3.18Å
96	A	98.8	Very high	98.5	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-60.4	-40.3	171.5	0	0	0	0	0	111	C92 P93 S94 L99 T100 V109 W123	C92-A96 WeakPolarHBondContact O-CB 3.34Å; C92-A96 PolarHBondContact O-N 3.07Å; P93-A96 PolarHBondContact O-N 2.85Å; S94-A96 VanDerWaalsContact C-N 3.34Å; S94-A96 PolarHBondContact O-N 3Å; A96-L99 PolarHBondContact O-N 3.36Å; A96-T100 WeakPolarHBondContact O-CB 3.42Å; A96-T100 WeakPolarHBondContact O-CG2 3.32Å; A96-T100 PolarHBondContact O-N 2.91Å; A96-T100 PolarHBondContact O-OG1 3.05Å; A96-V109 HydrophobicContact CB-CB 3.84Å; A96-V109 HydrophobicContact CB-CG1 4.21Å; A96-V109 HydrophobicContact CB-CG2 3.81Å; A96-W123 HydrophobicContact CB-CE3 4.5Å; A96-W123 HydrophobicContact CB-CH2 3.66Å; A96-W123 HydrophobicContact CB-CZ3 3.57Å
97	S	98.9	Very high	98.5	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-63.8	-40.1	174.1	-57.4	0	0	0	0	113.3	P87 P93 S94 R95 G101 K102 H107	P87-S97 WeakPolarHBondContact CG-OG 3.32Å; P93-S97 PolarHBondContact O-N 3.2Å; P93-S97 PolarHBondContact O-OG 3.4Å; S94-S97 CarbonylContact O-C 3.56Å; S94-S97 WeakPolarHBondContact O-CA 3.05Å; S94-S97 VanDerWaalsContact O-CB 3.27Å; S94-S97 WeakPolarHBondContact O-CB 3.4Å; S94-S97 PolarHBondContact O-N 3.36Å; S94-S97 VanDerWaalsContact O-N 3.1Å; R95-S97 VanDerWaalsContact C-N 3.27Å; R95-S97 PolarHBondContact O-N 3.18Å; S97-G101 WeakPolarHBondContact O-CA 3.41Å; S97-G101 PolarHBondContact O-N 3.27Å; S97-K102 WeakPolarHBondContact CA-O 3.24Å; S97-K102 WeakPolarHBondContact CB-O 3.36Å; S97-K102 PolarHBondContact O-N 3.03Å; S97-K102 PolarHBondContact OG-O 3.25Å; S97-K102 VanDerWaalsContact OG-O 3.08Å; S97-H107 PolarHBondContact N-NE2 3Å; S97-H107 PolarHBondContact OG-NE2 2.78Å
98	I	98.8	Very high	98.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-59.3	-49.9	172.7	-65.4	170.6	0	0	0	110.5	L51 L53 S94 R95 F132 M228 N371 L374	L51-I98 HydrophobicContact CD2-CG2 4.24Å; L53-I98 HydrophobicContact CD1-CD1 3.76Å; L53-I98 HydrophobicContact CD2-CD1 3.96Å; S94-I98 WeakPolarHBondContact O-CG1 3.37Å; S94-I98 PolarHBondContact O-N 3.41Å; R95-I98 PolarHBondContact O-N 3.16Å; I98-F132 HydrophobicContact CG2-CE1 4.39Å; I98-F132 WeakPolarHBondContact O-CD1 3.36Å; I98-M228 HydrophobicContact CG2-CE 4.47Å; I98-N371 HydrophobicContact CD1-CB 4.38Å; I98-N371 HydrophobicContact CG1-CB 3.7Å; I98-L374 HydrophobicContact CG1-CD1 4.23Å; I98-L374 HydrophobicContact CG2-CB 4.46Å; I98-L374 HydrophobicContact CG2-CD1 4.12Å
99	L	98.8	Very high	98.4	Very high	3 Å²	3	11.3 Å²	11.3	2%	0.016	5%	0.053	C	C	.	.	H	α-helix	trans	-69.5	-37.2	-173.7	-68.5	164	0	0	0	112.8	R95 A96 W123 T131 F132 P133 Y150 W169 M228	R95-L99 WeakPolarHBondContact O-CD1 3.36Å; R95-L99 VanDerWaalsContact O-CG 3.25Å; R95-L99 WeakPolarHBondContact O-CG 3.22Å; R95-L99 PolarHBondContact O-N 3.28Å; A96-L99 PolarHBondContact O-N 3.36Å; L99-W123 HydrophobicContact CB-CH2 4.46Å; L99-W123 HydrophobicContact CD1-CH2 4.43Å; L99-W123 HydrophobicContact CD1-CZ2 3.99Å; L99-T131 HydrophobicContact CB-CG2 3.89Å; L99-T131 CarbonylContact O-C 3.5Å; L99-T131 VanDerWaalsContact O-CA 3.24Å; L99-T131 WeakPolarHBondContact O-CA 3.21Å; L99-T131 VanDerWaalsContact O-CB 3.31Å; L99-T131 WeakPolarHBondContact O-CB 3.35Å; L99-F132 HydrophobicContact CD2-CE1 4.46Å; L99-F132 WeakPolarHBondContact O-CD1 3.41Å; L99-F132 PolarHBondContact O-N 3.27Å; L99-P133 HydrophobicContact CD2-CG 4.21Å; L99-Y150 HydrophobicContact CD1-CD2 4.18Å; L99-Y150 HydrophobicContact CD1-CE2 3.34Å; L99-Y150 HydrophobicContact CD2-CE2 4.19Å; L99-Y150 HydrophobicContact CG-CE2 4.41Å; L99-W169 HydrophobicContact CD2-CZ2 4.43Å; L99-M228 HydrophobicContact CD2-SD 4.32Å
100	T	98.6	Very high	98.4	Very high	3 Å²	3	13.1 Å²	13.1	2%	0.018	6%	0.064	C	C	.	.	H	α-helix	trans	-95.1	-17.6	-176.5	60.1	0	0	0	0	113.2	A96 K102 H107 W123 Q127 T131 M391	A96-T100 WeakPolarHBondContact O-CB 3.42Å; A96-T100 WeakPolarHBondContact O-CG2 3.32Å; A96-T100 PolarHBondContact O-N 2.91Å; A96-T100 PolarHBondContact O-OG1 3.05Å; T100-K102 PolarHBondContact O-N 2.82Å; T100-K102 WeakPolarHBondContact OG1-CB 3.23Å; T100-K102 PolarHBondContact OG1-N 3.24Å; T100-H107 HydrophobicContact CG2-CB 4.25Å; T100-W123 HydrophobicContact CG2-CH2 3.66Å; T100-W123 HydrophobicContact CG2-CZ3 3.91Å; T100-Q127 HydrophobicContact CG2-CB 4.23Å; T100-T131 HydrophobicContact CG2-CG2 4.15Å; T100-M391 WeakPolarHBondContact O-CG 3.24Å
101	G	98.7	Very high	98.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	65.5	23.2	-170.1	0	0	0	0	0	113.4	S97 I372 M391 D392 G393	S97-G101 WeakPolarHBondContact O-CA 3.41Å; S97-G101 PolarHBondContact O-N 3.27Å; G101-I372 WeakPolarHBondContact CA-O 3.13Å; G101-M391 CarbonylContact O-C 3.57Å; G101-D392 PolarHBondContact O-N 3.08Å; G101-G393 PolarHBondContact O-N 3.05Å; G101-G393 VanDerWaalsContact O-N 3.09Å
102	K	98.6	Very high	98.3	Very high	36 Å²	36	15.4 Å²	15.4	16%	0.157	8%	0.077	C	C	.	.			trans	-121.2	155.2	-173.4	-65.6	174.5	179	-179	0	112.4	S97 T100 N106 H107 I372 Q390 D392	S97-K102 WeakPolarHBondContact CA-O 3.24Å; S97-K102 WeakPolarHBondContact CB-O 3.36Å; S97-K102 PolarHBondContact O-N 3.03Å; S97-K102 PolarHBondContact OG-O 3.25Å; S97-K102 VanDerWaalsContact OG-O 3.08Å; T100-K102 PolarHBondContact O-N 2.82Å; T100-K102 WeakPolarHBondContact OG1-CB 3.23Å; T100-K102 PolarHBondContact OG1-N 3.24Å; K102-N106 HydrophobicContact CB-CB 3.98Å; K102-N106 HydrophobicContact CD-CB 4.18Å; K102-N106 HydrophobicContact CG-CB 4.37Å; K102-H107 HydrophobicContact CB-CB 4.4Å; K102-H107 HydrophobicContact CD-CB 4.49Å; K102-H107 PolarHBondContact O-CD2 3Å; K102-H107 VanDerWaalsContact O-CD2 3.23Å; K102-I372 VanDerWaalsContact C-CG2 3.49Å; K102-I372 WeakPolarHBondContact O-CG2 3.41Å; K102-Q390 VanDerWaalsContact CE-O 3.24Å; K102-Q390 WeakPolarHBondContact CE-O 3.31Å; K102-D392 WeakPolarHBondContact CA-OD2 3.34Å; K102-D392 WeakPolarHBondContact CB-OD2 3.27Å
103	Y	98.6	Very high	98.3	Very high	1 Å²	1	17.6 Å²	17.6	0%	0.004	9%	0.09	C	C	.	.			trans	-71.7	157.3	168.5	-71	-64.9	0	0	0	112.1	P87 H105 N106 H107 I372 D392 L413 C518	P87-Y103 HydrophobicContact CB-CD1 3.68Å; P87-Y103 HydrophobicContact CB-CE1 4.06Å; Y103-H105 VanDerWaalsContact C-N 3.31Å; Y103-H105 VanDerWaalsContact CB-CE1 3.49Å; Y103-H105 WeakPolarHBondContact CB-CE1 3.47Å; Y103-H105 PolarHBondContact O-N 3.12Å; Y103-N106 PolarHBondContact O-N 3.39Å; Y103-H107 PolarHBondContact O-CD2 2.93Å; Y103-H107 PolarHBondContact O-N 3.46Å; Y103-I372 HydrophobicContact CD1-CD1 4.12Å; Y103-I372 HydrophobicContact CD1-CG2 4.41Å; Y103-I372 HydrophobicContact CD2-CD1 4.21Å; Y103-I372 HydrophobicContact CE1-CD1 3.51Å; Y103-I372 HydrophobicContact CE1-CG1 4.42Å; Y103-I372 HydrophobicContact CE2-CD1 3.66Å; Y103-I372 HydrophobicContact CG-CD1 4.43Å; Y103-D392 HydrophobicContact CD2-CB 3.85Å; Y103-D392 HydrophobicContact CE2-CB 4.18Å; Y103-D392 PolarHBondContact N-OD2 3.21Å; Y103-L413 HydrophobicContact CD1-CB 4Å; Y103-L413 HydrophobicContact CD1-CD2 4.26Å; Y103-L413 HydrophobicContact CD2-CD2 4.39Å; Y103-L413 HydrophobicContact CE1-CB 3.61Å; Y103-L413 VanDerWaalsContact CE1-O 3.31Å; Y103-L413 WeakPolarHBondContact CE1-O 3.35Å; Y103-L413 HydrophobicContact CE2-CB 4.26Å; Y103-L413 HydrophobicContact CG-CD2 4.13Å; Y103-L413 PolarHBondContact OH-N 3.37Å; Y103-C518 HydrophobicContact CE2-CB 4.25Å
104	P	98.3	Very high	98.2	Very high	8 Å²	8	19.4 Å²	19.4	5%	0.052	10%	0.1	C	C	.	.	H	α-helix	trans	-46.6	-45.6	178.5	-33.3	36.9	0	0	0	115.5	N106 H107 H108 E415	P104-N106 PolarHBondContact O-N 3.21Å; P104-H107 VanDerWaalsContact CA-CE1 3.47Å; P104-H107 WeakPolarHBondContact CA-CE1 3.17Å; P104-H107 WeakPolarHBondContact CA-NE2 3.44Å; P104-H107 PolarHBondContact O-N 2.99Å; P104-H108 WeakPolarHBondContact O-CA 3.46Å; P104-H108 PolarHBondContact O-N 3.33Å; P104-E415 HydrophobicContact CB-CB 4.31Å; P104-E415 VanDerWaalsContact CD-OE2 3.32Å; P104-E415 WeakPolarHBondContact CD-OE2 3.39Å; P104-E415 HydrophobicContact CG-CB 4.21Å
105	H	97.7	Very high	98.1	Very high	43 Å²	43	27.3 Å²	27.3	20%	0.199	14%	0.137	C	C	.	.	H	α-helix	trans	-63.8	-23.4	178.8	66.2	-93.4	0	0	0	114.1	Y103 H108 E415 L510 C513	Y103-H105 VanDerWaalsContact C-N 3.31Å; Y103-H105 VanDerWaalsContact CB-CE1 3.49Å; Y103-H105 WeakPolarHBondContact CB-CE1 3.47Å; Y103-H105 PolarHBondContact O-N 3.12Å; H105-H108 PolarHBondContact O-CE1 3.2Å; H105-H108 PolarHBondContact O-ND1 2.5Å; H105-H108 VanDerWaalsContact O-ND1 3.1Å; H105-E415 IonicContact CE1-OE2 3.35Å; H105-E415 IonicContact CG-OE1 3.64Å; H105-E415 IonicContact CG-OE2 3.74Å; H105-E415 PolarHBondContact N-OE2 3.01Å; H105-E415 VanDerWaalsContact ND1-CD 3.3Å; H105-E415 IonicContact ND1-OE1 3.69Å; H105-E415 PolarHBondContact ND1-OE1 2.72Å; H105-E415 VanDerWaalsContact ND1-OE1 3.1Å; H105-E415 IonicContact ND1-OE2 3.1Å; H105-E415 PolarHBondContact ND1-OE2 3.37Å; H105-L510 PolarHBondContact CE1-O 2.86Å; H105-L510 VanDerWaalsContact CE1-O 3.29Å; H105-C513 PolarHBondContact NE2-O 3.39Å
106	N	98.2	Very high	98	Very high	23 Å²	23	27.4 Å²	27.4	12%	0.123	14%	0.138	C	C	.	.	H	α-helix	trans	-92.3	-27.1	-178.9	-81.6	-42.8	0	0	0	113.9	K102 Y103 P104 D392 C513 S514	K102-N106 HydrophobicContact CB-CB 3.98Å; K102-N106 HydrophobicContact CD-CB 4.18Å; K102-N106 HydrophobicContact CG-CB 4.37Å; Y103-N106 PolarHBondContact O-N 3.39Å; P104-N106 PolarHBondContact O-N 3.21Å; N106-D392 VanDerWaalsContact ND2-CG 3.32Å; N106-D392 PolarHBondContact ND2-OD1 2.9Å; N106-D392 PolarHBondContact ND2-OD2 2.79Å; N106-C513 PolarHBondContact ND2-O 2.69Å; N106-C513 PolarHBondContact OD1-O 3.33Å; N106-S514 WeakPolarHBondContact OD1-CB 3.35Å; N106-S514 PolarHBondContact OD1-OG 3.23Å
107	H	97.9	Very high	98	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-99.6	-12.1	173.8	62.2	69.2	0	0	0	113.9	P93 S97 T100 K102 Y103 P104 V109 Q127	P93-H107 PolarHBondContact O-CE1 3.5Å; P93-H107 PolarHBondContact O-NE2 2.79Å; S97-H107 PolarHBondContact N-NE2 3Å; S97-H107 PolarHBondContact OG-NE2 2.78Å; T100-H107 HydrophobicContact CG2-CB 4.25Å; K102-H107 HydrophobicContact CB-CB 4.4Å; K102-H107 HydrophobicContact CD-CB 4.49Å; K102-H107 PolarHBondContact O-CD2 3Å; K102-H107 VanDerWaalsContact O-CD2 3.23Å; Y103-H107 PolarHBondContact O-CD2 2.93Å; Y103-H107 PolarHBondContact O-N 3.46Å; P104-H107 VanDerWaalsContact CA-CE1 3.47Å; P104-H107 WeakPolarHBondContact CA-CE1 3.17Å; P104-H107 WeakPolarHBondContact CA-NE2 3.44Å; P104-H107 PolarHBondContact O-N 2.99Å; H107-V109 VanDerWaalsContact C-N 3.29Å; H107-V109 PolarHBondContact CE1-O 3.01Å; H107-V109 WeakPolarHBondContact ND1-CB 3.36Å; H107-V109 PolarHBondContact ND1-N 3.25Å; H107-V109 VanDerWaalsContact ND1-N 3.12Å; H107-V109 PolarHBondContact O-N 2.97Å; H107-Q127 PolarHBondContact O-NE2 3.09Å
108	H	98	Very high	97.9	Very high	116 Å²	116	28.3 Å²	28.3	54%	0.537	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	35.4	177.2	-49.1	-66.3	0	0	0	113.7	P104 H105 N117	P104-H108 WeakPolarHBondContact O-CA 3.46Å; P104-H108 PolarHBondContact O-N 3.33Å; H105-H108 PolarHBondContact O-CE1 3.2Å; H105-H108 PolarHBondContact O-ND1 2.5Å; H105-H108 VanDerWaalsContact O-ND1 3.1Å; H108-N117 WeakPolarHBondContact O-CB 3.35Å; H108-N117 PolarHBondContact O-ND2 3.35Å
109	V	98.5	Very high	97.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.			trans	-106.4	109.1	167.5	-179.3	0	0	0	0	105.9	C92 P93 A96 H107 G116 N117 C118 W123	C92-V109 HydrophobicContact CB-CG1 3.86Å; P93-V109 WeakPolarHBondContact CB-O 3.32Å; P93-V109 HydrophobicContact CG-CG1 4.49Å; A96-V109 HydrophobicContact CB-CB 3.84Å; A96-V109 HydrophobicContact CB-CG1 4.21Å; A96-V109 HydrophobicContact CB-CG2 3.81Å; H107-V109 VanDerWaalsContact C-N 3.29Å; H107-V109 PolarHBondContact CE1-O 3.01Å; H107-V109 WeakPolarHBondContact ND1-CB 3.36Å; H107-V109 PolarHBondContact ND1-N 3.25Å; H107-V109 VanDerWaalsContact ND1-N 3.12Å; H107-V109 PolarHBondContact O-N 2.97Å; V109-G116 WeakPolarHBondContact CA-O 3.48Å; V109-N117 HydrophobicContact CG2-CB 4.25Å; V109-C118 HydrophobicContact CG1-CB 4.29Å; V109-W123 HydrophobicContact CG2-CD2 4.43Å; V109-W123 HydrophobicContact CG2-CE3 3.44Å; V109-W123 VanDerWaalsContact CG2-CE3 3.44Å; V109-W123 HydrophobicContact CG2-CZ3 3.72Å
110	V	97.4	Very high	97.8	Very high	38 Å²	38	28.9 Å²	28.9	23%	0.23	15%	0.148	C	C	.	.			trans	-109.4	-23	-165.8	-62.4	0	0	0	0	112.9	P93 G116 Q417	P93-V110 VanDerWaalsContact CG-C 3.47Å; P93-V110 WeakPolarHBondContact CG-O 3.44Å; V110-G116 PolarHBondContact N-O 3.09Å; V110-Q417 HydrophobicContact CB-CB 4.3Å; V110-Q417 VanDerWaalsContact CB-OE1 3.22Å
111	N	97.5	Very high	97.8	Very high	29 Å²	29	34.1 Å²	34.1	16%	0.155	17%	0.17	C	C	.	.	S	Bend	trans	-150.7	-171.1	178.2	78.1	18.4	0	0	0	112.2	L90 C92 T113 G116 E419	L90-N111 HydrophobicContact CD2-CB 4.21Å; C92-N111 WeakPolarHBondContact CB-O 3.37Å; N111-T113 PolarHBondContact OD1-N 2.69Å; N111-T113 PolarHBondContact OD1-OG1 3.25Å; N111-G116 VanDerWaalsContact OD1-CA 3.25Å; N111-G116 WeakPolarHBondContact OD1-CA 3.37Å; N111-E419 HydrophobicContact CB-CG 4.23Å; N111-E419 VanDerWaalsContact CB-OE1 3.29Å; N111-E419 WeakPolarHBondContact CB-OE1 3.31Å
112	N	97.3	Very high	97.7	Very high	20 Å²	20	36.9 Å²	36.9	11%	0.107	19%	0.19	C	C	.	.	S	Bend	trans	-86.7	2.9	-175.8	-77.5	-20.9	0	0	0	115.3	L90 C92 N152 E153	L90-N112 WeakPolarHBondContact CD1-ND2 3.24Å; C92-N112 WeakPolarHBondContact CB-OD1 3.37Å; C92-N112 PolarHBondContact N-OD1 3.46Å; C92-N112 PolarHBondContact SG-OD1 2.93Å; C92-N112 VanDerWaalsContact SG-OD1 3.35Å; N112-N152 HydrophobicContact CB-CB 4.33Å; N112-N152 VanDerWaalsContact CG-ND2 3.27Å; N112-N152 PolarHBondContact ND2-ND2 3.37Å; N112-E153 WeakPolarHBondContact O-CG 3.15Å
113	T	97	Very high	97.7	Very high	45 Å²	45	35.2 Å²	35.2	28%	0.276	18%	0.182	S	C	.	.	S	Bend	trans	-102.5	166.6	-175.7	86.2	0	0	0	0	112.7	N111 E115 G116 N117 C118	N111-T113 PolarHBondContact OD1-N 2.69Å; N111-T113 PolarHBondContact OD1-OG1 3.25Å; T113-E115 VanDerWaalsContact C-N 3.29Å; T113-E115 VanDerWaalsContact CB-OE2 3.23Å; T113-E115 WeakPolarHBondContact CB-OE2 3.49Å; T113-E115 PolarHBondContact O-N 3.16Å; T113-E115 PolarHBondContact OG1-N 3.11Å; T113-E115 PolarHBondContact OG1-OE2 2.94Å; T113-G116 CarbonylContact O-C 3.52Å; T113-G116 PolarHBondContact O-N 3.12Å; T113-G116 PolarHBondContact OG1-N 3.1Å; T113-N117 PolarHBondContact O-N 3.46Å; T113-C118 VanDerWaalsContact O-CB 3.24Å; T113-C118 WeakPolarHBondContact O-CB 3.37Å; T113-C118 PolarHBondContact O-N 2.92Å
114	L	97.1	Very high	97.7	Very high	39 Å²	39	36.1 Å²	36.1	20%	0.204	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-38.4	174.4	-71.1	171.9	0	0	0	111.8	G116 N117 S120 E153 D158 A159	L114-G116 VanDerWaalsContact C-N 3.35Å; L114-N117 WeakPolarHBondContact O-CA 3.45Å; L114-N117 PolarHBondContact O-N 3.06Å; L114-S120 WeakPolarHBondContact O-CB 3.47Å; L114-E153 HydrophobicContact CD2-CB 3.72Å; L114-E153 HydrophobicContact CD2-CG 4.26Å; L114-E153 HydrophobicContact CG-CB 4Å; L114-E153 HydrophobicContact CG-CG 4.01Å; L114-D158 HydrophobicContact CD1-CB 3.72Å; L114-A159 HydrophobicContact CD2-CB 4Å
115	E	96	Very high	97.7	Very high	166 Å²	166	44 Å²	44	78%	0.776	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-38.5	177.9	-59.8	74.3	-160.8	0	0	111.5	T113 N117	T113-E115 VanDerWaalsContact C-N 3.29Å; T113-E115 VanDerWaalsContact CB-OE2 3.23Å; T113-E115 WeakPolarHBondContact CB-OE2 3.49Å; T113-E115 PolarHBondContact O-N 3.16Å; T113-E115 PolarHBondContact OG1-N 3.11Å; T113-E115 PolarHBondContact OG1-OE2 2.94Å; E115-N117 PolarHBondContact O-N 3.31Å; E115-N117 VanDerWaalsContact O-N 3.14Å
116	G	97	Very high	97.6	Very high	5 Å²	5	46.3 Å²	46.3	5%	0.052	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	18.9	170	0	0	0	0	0	114.1	V109 V110 N111 T113 L114 C118	V109-G116 WeakPolarHBondContact CA-O 3.48Å; V110-G116 PolarHBondContact N-O 3.09Å; N111-G116 VanDerWaalsContact OD1-CA 3.25Å; N111-G116 WeakPolarHBondContact OD1-CA 3.37Å; T113-G116 CarbonylContact O-C 3.52Å; T113-G116 PolarHBondContact O-N 3.12Å; T113-G116 PolarHBondContact OG1-N 3.1Å; L114-G116 VanDerWaalsContact C-N 3.35Å; G116-C118 VanDerWaalsContact C-N 3.26Å; G116-C118 PolarHBondContact O-N 3.05Å
117	N	98.2	Very high	97.6	Very high	19 Å²	19	45.7 Å²	45.7	10%	0.102	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	9.8	175.9	-162.7	28.5	0	0	0	115.3	H108 V109 T113 L114 E115 S119 S120 S122 W123	H108-N117 WeakPolarHBondContact O-CB 3.35Å; H108-N117 PolarHBondContact O-ND2 3.35Å; V109-N117 HydrophobicContact CG2-CB 4.25Å; T113-N117 PolarHBondContact O-N 3.46Å; L114-N117 WeakPolarHBondContact O-CA 3.45Å; L114-N117 PolarHBondContact O-N 3.06Å; E115-N117 PolarHBondContact O-N 3.31Å; E115-N117 VanDerWaalsContact O-N 3.14Å; N117-S119 PolarHBondContact O-N 3.16Å; N117-S120 PolarHBondContact OD1-OG 2.76Å; N117-S122 WeakPolarHBondContact OD1-CB 3.33Å; N117-W123 WeakPolarHBondContact O-CB 3.35Å; N117-W123 PolarHBondContact OD1-N 2.92Å
118	C	98.2	Very high	97.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	118.1	175.1	-176.4	0	0	0	0	110.4	C92 V109 T113 G116 S120 N152	C92-C118 HydrophobicContact CB-CB 3.52Å; C92-C118 WeakPolarHBondContact CB-SG 3.46Å; C92-C118 WeakPolarHBondContact SG-CB 3.33Å; C92-C118 CovalentContact SG-SG 2.02Å; C92-C118 PolarHBondContact SG-SG 3.11Å; V109-C118 HydrophobicContact CG1-CB 4.29Å; T113-C118 VanDerWaalsContact O-CB 3.24Å; T113-C118 WeakPolarHBondContact O-CB 3.37Å; T113-C118 PolarHBondContact O-N 2.92Å; G116-C118 VanDerWaalsContact C-N 3.26Å; G116-C118 PolarHBondContact O-N 3.05Å; C118-S120 PolarHBondContact O-N 2.85Å; C118-N152 PolarHBondContact SG-N 3.2Å; C118-N152 VanDerWaalsContact SG-N 3.39Å
119	S	98.1	Very high	97.5	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.014	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	7.3	-176.5	-58.2	0	0	0	0	116.4	N117 Q124 L151 Y154	N117-S119 PolarHBondContact O-N 3.16Å; S119-Q124 PolarHBondContact O-NE2 3.5Å; S119-L151 WeakPolarHBondContact OG-CB 3.47Å; S119-Y154 PolarHBondContact OG-N 2.96Å; S119-Y154 VanDerWaalsContact OG-N 3.15Å
120	S	98	Very high	97.4	Very high	14 Å²	14	47.3 Å²	47.3	10%	0.098	24%	0.244	C	C	.	.			trans	-62.5	167.1	-173.5	92	0	0	0	0	112.4	L114 N117 C118 S122 W123 Q124	L114-S120 WeakPolarHBondContact O-CB 3.47Å; N117-S120 PolarHBondContact OD1-OG 2.76Å; C118-S120 PolarHBondContact O-N 2.85Å; S120-S122 PolarHBondContact O-N 3.28Å; S120-S122 WeakPolarHBondContact OG-CB 3.46Å; S120-S122 PolarHBondContact OG-N 3.12Å; S120-W123 WeakPolarHBondContact O-CB 3.28Å; S120-W123 PolarHBondContact O-N 2.67Å; S120-W123 VanDerWaalsContact O-N 3.16Å; S120-W123 PolarHBondContact OG-N 2.77Å; S120-Q124 WeakPolarHBondContact O-CG 3.33Å; S120-Q124 PolarHBondContact O-N 3.12Å
121	K	97.5	Very high	97.5	Very high	112 Å²	112	45.6 Å²	45.6	49%	0.487	23%	0.234	S	C	.	.	H	α-helix	trans	-58.9	-30.2	170.9	-65.7	-52	-169.7	-175.4	0	113.5	Q124 K125	K121-Q124 VanDerWaalsContact CD-OE1 3.32Å; K121-K125 WeakPolarHBondContact O-CB 3.27Å; K121-K125 PolarHBondContact O-N 2.93Å
122	S	97.6	Very high	97.5	Very high	59 Å²	59	44.2 Å²	44.2	41%	0.413	23%	0.227	S	C	.	.	H	α-helix	trans	-68.1	-46.5	175	-173.9	0	0	0	0	110.9	N117 S120 Q124 K125 I126	N117-S122 WeakPolarHBondContact OD1-CB 3.33Å; S120-S122 PolarHBondContact O-N 3.28Å; S120-S122 WeakPolarHBondContact OG-CB 3.46Å; S120-S122 PolarHBondContact OG-N 3.12Å; S122-Q124 PolarHBondContact O-N 2.96Å; S122-K125 PolarHBondContact O-N 2.82Å; S122-I126 WeakPolarHBondContact O-CB 3.46Å; S122-I126 WeakPolarHBondContact O-CG1 3.4Å; S122-I126 PolarHBondContact O-N 3.5Å
123	W	98.1	Very high	97.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-54	-50.3	172.3	167.2	-93.8	0	0	0	111.9	A96 L99 T100 V109 N117 S120 K125 I126 Q127 E128 T131 Y150 L151	A96-W123 HydrophobicContact CB-CE3 4.5Å; A96-W123 HydrophobicContact CB-CH2 3.66Å; A96-W123 HydrophobicContact CB-CZ3 3.57Å; L99-W123 HydrophobicContact CB-CH2 4.46Å; L99-W123 HydrophobicContact CD1-CH2 4.43Å; L99-W123 HydrophobicContact CD1-CZ2 3.99Å; T100-W123 HydrophobicContact CG2-CH2 3.66Å; T100-W123 HydrophobicContact CG2-CZ3 3.91Å; V109-W123 HydrophobicContact CG2-CD2 4.43Å; V109-W123 HydrophobicContact CG2-CE3 3.44Å; V109-W123 VanDerWaalsContact CG2-CE3 3.44Å; V109-W123 HydrophobicContact CG2-CZ3 3.72Å; N117-W123 WeakPolarHBondContact O-CB 3.35Å; N117-W123 PolarHBondContact OD1-N 2.92Å; S120-W123 WeakPolarHBondContact O-CB 3.28Å; S120-W123 PolarHBondContact O-N 2.67Å; S120-W123 VanDerWaalsContact O-N 3.16Å; S120-W123 PolarHBondContact OG-N 2.77Å; W123-K125 VanDerWaalsContact C-N 3.31Å; W123-K125 PolarHBondContact O-N 2.92Å; W123-I126 PolarHBondContact O-N 2.79Å; W123-Q127 HydrophobicContact CD2-CB 3.82Å; W123-Q127 HydrophobicContact CD2-CG 4.32Å; W123-Q127 HydrophobicContact CE3-CB 3.36Å; W123-Q127 HydrophobicContact CE3-CG 3.5Å; W123-Q127 VanDerWaalsContact CE3-CG 3.5Å; W123-Q127 HydrophobicContact CH2-CB 3.97Å; W123-Q127 HydrophobicContact CZ2-CB 4.36Å; W123-Q127 HydrophobicContact CZ3-CB 3.44Å; W123-Q127 VanDerWaalsContact CZ3-CB 3.44Å; W123-Q127 HydrophobicContact CZ3-CG 3.69Å; W123-Q127 WeakPolarHBondContact O-CA 3.45Å; W123-Q127 PolarHBondContact O-N 2.91Å; W123-E128 VanDerWaalsContact NE1-CG 3.31Å; W123-E128 PolarHBondContact NE1-OE1 3.35Å; W123-E128 PolarHBondContact O-N 3.15Å; W123-E128 VanDerWaalsContact O-N 3.07Å; W123-T131 HydrophobicContact CH2-CG2 4.45Å; W123-T131 HydrophobicContact CZ2-CG2 4.25Å; W123-Y150 PolarHBondContact NE1-OH 3.05Å; W123-L151 HydrophobicContact CD2-CD1 4.06Å; W123-L151 VanDerWaalsContact CE2-CD1 3.5Å; W123-L151 HydrophobicContact CG-CD1 4.44Å; W123-L151 HydrophobicContact CH2-CD1 4.46Å; W123-L151 HydrophobicContact CZ2-CD1 3.74Å
124	Q	97.9	Very high	97.6	Very high	21 Å²	21	41.4 Å²	41.4	10%	0.098	21%	0.211	C	C	.	.	H	α-helix	trans	-59.5	-41.3	-180	-67	170.7	21.9	0	0	112.7	S119 S120 K121 S122 P129 A159 H164	S119-Q124 PolarHBondContact O-NE2 3.5Å; S120-Q124 WeakPolarHBondContact O-CG 3.33Å; S120-Q124 PolarHBondContact O-N 3.12Å; K121-Q124 VanDerWaalsContact CD-OE1 3.32Å; S122-Q124 PolarHBondContact O-N 2.96Å; Q124-P129 WeakPolarHBondContact O-CD 3.38Å; Q124-A159 PolarHBondContact NE2-O 3.35Å; Q124-H164 WeakPolarHBondContact CG-NE2 3.44Å
125	K	97.5	Very high	97.7	Very high	174 Å²	174	40.5 Å²	40.5	76%	0.757	21%	0.206	S	C	*	.	H	α-helix	trans	-78	-37.9	-177	-175.2	178.1	177.6	-178	0	112.8	K121 S122 W123	K121-K125 WeakPolarHBondContact O-CB 3.27Å; K121-K125 PolarHBondContact O-N 2.93Å; S122-K125 PolarHBondContact O-N 2.82Å; W123-K125 VanDerWaalsContact C-N 3.31Å; W123-K125 PolarHBondContact O-N 2.92Å
126	I	97.2	Very high	97.8	Very high	90 Å²	90	32.6 Å²	32.6	46%	0.462	17%	0.169	S	C	.	.	H	α-helix	trans	-102.7	-46.3	-167.7	-58.7	177.3	0	0	0	111.8	S122 W123 N130	S122-I126 WeakPolarHBondContact O-CB 3.46Å; S122-I126 WeakPolarHBondContact O-CG1 3.4Å; S122-I126 PolarHBondContact O-N 3.5Å; W123-I126 PolarHBondContact O-N 2.79Å; I126-N130 PolarHBondContact O-ND2 2.78Å
127	Q	97.7	Very high	97.7	Very high	11 Å²	11	38.1 Å²	38.1	5%	0.051	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-47.4	-171.6	-58.5	-60.7	-15.6	0	0	112.3	T100 H107 W123 P129 N130 T131	T100-Q127 HydrophobicContact CG2-CB 4.23Å; H107-Q127 PolarHBondContact O-NE2 3.09Å; W123-Q127 HydrophobicContact CD2-CB 3.82Å; W123-Q127 HydrophobicContact CD2-CG 4.32Å; W123-Q127 HydrophobicContact CE3-CB 3.36Å; W123-Q127 HydrophobicContact CE3-CG 3.5Å; W123-Q127 VanDerWaalsContact CE3-CG 3.5Å; W123-Q127 HydrophobicContact CH2-CB 3.97Å; W123-Q127 HydrophobicContact CZ2-CB 4.36Å; W123-Q127 HydrophobicContact CZ3-CB 3.44Å; W123-Q127 VanDerWaalsContact CZ3-CB 3.44Å; W123-Q127 HydrophobicContact CZ3-CG 3.69Å; W123-Q127 WeakPolarHBondContact O-CA 3.45Å; W123-Q127 PolarHBondContact O-N 2.91Å; Q127-P129 VanDerWaalsContact C-CD 3.45Å; Q127-N130 CarbonylContact O-C 3.48Å; Q127-N130 WeakPolarHBondContact O-CA 3.38Å; Q127-N130 PolarHBondContact O-N 2.87Å; Q127-T131 WeakPolarHBondContact O-CG2 3.4Å; Q127-T131 PolarHBondContact O-N 2.65Å; Q127-T131 VanDerWaalsContact O-N 3.13Å
128	E	97.3	Very high	97.7	Very high	3 Å²	3	41.3 Å²	41.3	1%	0.014	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-50.4	-46.4	-176.4	-70.4	-175.8	173.3	0	0	114.5	W123 N130 T131 A134 H164 P166	W123-E128 VanDerWaalsContact NE1-CG 3.31Å; W123-E128 PolarHBondContact NE1-OE1 3.35Å; W123-E128 PolarHBondContact O-N 3.15Å; W123-E128 VanDerWaalsContact O-N 3.07Å; E128-N130 PolarHBondContact O-N 2.78Å; E128-N130 VanDerWaalsContact O-N 3.1Å; E128-T131 PolarHBondContact O-N 2.87Å; E128-T131 VanDerWaalsContact O-N 3.15Å; E128-T131 PolarHBondContact O-OG1 3.11Å; E128-A134 WeakPolarHBondContact O-CB 3.3Å; E128-H164 IonicContact OE1-CD2 2.99Å; E128-H164 IonicContact OE1-NE2 3.26Å; E128-H164 PolarHBondContact OE1-NE2 2.84Å; E128-H164 VanDerWaalsContact OE1-NE2 3.12Å; E128-H164 IonicContact OE2-CE1 2.92Å; E128-H164 PolarHBondContact OE2-CE1 2.87Å; E128-H164 VanDerWaalsContact OE2-CE1 3.25Å; E128-H164 IonicContact OE2-NE2 3.95Å; E128-H164 PolarHBondContact OE2-NE2 2.82Å; E128-P166 HydrophobicContact CG-CB 4.39Å
129	P	96.8	Very high	97.6	Very high	51 Å²	51	47.6 Å²	47.6	33%	0.331	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-61.4	-22.2	178.5	-18.1	28.6	0	0	0	114	Q124 Q127 A134 L167	Q124-P129 WeakPolarHBondContact O-CD 3.38Å; Q127-P129 VanDerWaalsContact C-CD 3.45Å; P129-A134 WeakPolarHBondContact O-CB 3.25Å; P129-L167 HydrophobicContact CB-CD1 4.01Å; P129-L167 HydrophobicContact CG-CD1 3.82Å
130	N	96.3	Very high	97.5	Very high	95 Å²	95	47.8 Å²	47.8	51%	0.508	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-104.4	1.8	-176.6	-62.7	-62.3	0	0	0	112.9	I126 Q127 E128	I126-N130 PolarHBondContact O-ND2 2.78Å; Q127-N130 CarbonylContact O-C 3.48Å; Q127-N130 WeakPolarHBondContact O-CA 3.38Å; Q127-N130 PolarHBondContact O-N 2.87Å; E128-N130 PolarHBondContact O-N 2.78Å; E128-N130 VanDerWaalsContact O-N 3.1Å
131	T	98.5	Very high	97.4	Very high	2 Å²	2	49 Å²	49	1%	0.012	26%	0.259	C	S	.	.	S	Bend	trans	-68.4	152.7	174.8	60.2	0	0	0	0	111	L99 T100 W123 Q127 E128 P133 A134 I135	L99-T131 HydrophobicContact CB-CG2 3.89Å; L99-T131 CarbonylContact O-C 3.5Å; L99-T131 VanDerWaalsContact O-CA 3.24Å; L99-T131 WeakPolarHBondContact O-CA 3.21Å; L99-T131 VanDerWaalsContact O-CB 3.31Å; L99-T131 WeakPolarHBondContact O-CB 3.35Å; T100-T131 HydrophobicContact CG2-CG2 4.15Å; W123-T131 HydrophobicContact CH2-CG2 4.45Å; W123-T131 HydrophobicContact CZ2-CG2 4.25Å; Q127-T131 WeakPolarHBondContact O-CG2 3.4Å; Q127-T131 PolarHBondContact O-N 2.65Å; Q127-T131 VanDerWaalsContact O-N 3.13Å; E128-T131 PolarHBondContact O-N 2.87Å; E128-T131 VanDerWaalsContact O-N 3.15Å; E128-T131 PolarHBondContact O-OG1 3.11Å; T131-P133 VanDerWaalsContact C-CD 3.42Å; T131-P133 VanDerWaalsContact C-N 3.33Å; T131-A134 WeakPolarHBondContact O-CB 3.35Å; T131-A134 PolarHBondContact O-N 3.26Å; T131-A134 VanDerWaalsContact O-N 3.1Å; T131-I135 PolarHBondContact O-N 3.31Å; T131-I135 VanDerWaalsContact O-N 3.11Å
132	F	98.6	Very high	97.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.7	-35.6	-179.5	85.2	-98.7	0	0	0	113.4	I98 L99 A134 I135 L136 F226 I378 L379 M391	I98-F132 HydrophobicContact CG2-CE1 4.39Å; I98-F132 WeakPolarHBondContact O-CD1 3.36Å; L99-F132 HydrophobicContact CD2-CE1 4.46Å; L99-F132 WeakPolarHBondContact O-CD1 3.41Å; L99-F132 PolarHBondContact O-N 3.27Å; F132-A134 PolarHBondContact O-N 2.95Å; F132-I135 PolarHBondContact O-N 2.94Å; F132-L136 HydrophobicContact CD2-CD1 3.6Å; F132-L136 HydrophobicContact CD2-CG 4.31Å; F132-L136 HydrophobicContact CE2-CD1 3.84Å; F132-L136 WeakPolarHBondContact O-CB 3.35Å; F132-L136 WeakPolarHBondContact O-CG 3.42Å; F132-L136 PolarHBondContact O-N 3.34Å; F132-F226 HydrophobicContact CE2-CD1 4.18Å; F132-F226 AromaticContact CE2-CE1 3.47Å; F132-F226 HydrophobicContact CE2-CE1 3.47Å; F132-F226 VanDerWaalsContact CE2-CE1 3.47Å; F132-F226 HydrophobicContact CE2-CE2 4.03Å; F132-F226 AromaticContact CE2-CZ 3.4Å; F132-F226 HydrophobicContact CE2-CZ 3.4Å; F132-F226 AromaticContact CZ-CE1 3.78Å; F132-F226 HydrophobicContact CZ-CE1 3.78Å; F132-F226 HydrophobicContact CZ-CE2 4.32Å; F132-F226 AromaticContact CZ-CZ 3.47Å; F132-F226 HydrophobicContact CZ-CZ 3.47Å; F132-F226 VanDerWaalsContact CZ-CZ 3.47Å; F132-I378 HydrophobicContact CD2-CB 4.25Å; F132-I378 HydrophobicContact CD2-CD1 4.26Å; F132-I378 HydrophobicContact CD2-CG2 4.23Å; F132-I378 HydrophobicContact CE1-CD1 4.45Å; F132-I378 HydrophobicContact CE2-CB 4.26Å; F132-I378 HydrophobicContact CE2-CD1 3.57Å; F132-I378 HydrophobicContact CE2-CG2 4.1Å; F132-I378 HydrophobicContact CZ-CD1 3.69Å; F132-L379 HydrophobicContact CB-CD1 4.12Å; F132-L379 HydrophobicContact CB-CD2 4.49Å; F132-L379 HydrophobicContact CB-CG 4.09Å; F132-M391 HydrophobicContact CB-CE 3.7Å
133	P	98.5	Very high	97.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.5	-37.3	175.3	-21.7	36.3	0	0	0	112.6	L99 T131 I135 L136 R137 W169 F226	L99-P133 HydrophobicContact CD2-CG 4.21Å; T131-P133 VanDerWaalsContact C-CD 3.42Å; T131-P133 VanDerWaalsContact C-N 3.33Å; P133-I135 VanDerWaalsContact C-N 3.35Å; P133-L136 PolarHBondContact O-N 2.99Å; P133-R137 PolarHBondContact O-N 3.31Å; P133-W169 HydrophobicContact CB-CD2 4.29Å; P133-W169 HydrophobicContact CB-CE3 4.4Å; P133-W169 HydrophobicContact CB-CH2 3.83Å; P133-W169 HydrophobicContact CB-CZ2 3.65Å; P133-W169 HydrophobicContact CB-CZ3 4.18Å; P133-W169 HydrophobicContact CG-CH2 3.68Å; P133-W169 HydrophobicContact CG-CZ2 3.48Å; P133-W169 VanDerWaalsContact CG-CZ2 3.48Å; P133-W169 HydrophobicContact CG-CZ3 4.48Å; P133-F226 HydrophobicContact CG-CE1 4.25Å
134	A	98.2	Very high	97.5	Very high	6 Å²	6	41.4 Å²	41.4	5%	0.05	22%	0.219	C	C	.	.	H	α-helix	trans	-61.6	-43.1	173.8	0	0	0	0	0	111.8	E128 P129 T131 F132 S138 L167 G168	E128-A134 WeakPolarHBondContact O-CB 3.3Å; P129-A134 WeakPolarHBondContact O-CB 3.25Å; T131-A134 WeakPolarHBondContact O-CB 3.35Å; T131-A134 PolarHBondContact O-N 3.26Å; T131-A134 VanDerWaalsContact O-N 3.1Å; F132-A134 PolarHBondContact O-N 2.95Å; A134-S138 WeakPolarHBondContact O-CB 3.46Å; A134-S138 PolarHBondContact O-N 2.97Å; A134-S138 PolarHBondContact O-OG 3.38Å; A134-L167 HydrophobicContact CB-CB 4.44Å; A134-G168 VanDerWaalsContact CA-CA 3.47Å
135	I	98.2	Very high	97.5	Very high	20 Å²	20	40.4 Å²	40.4	10%	0.103	21%	0.214	C	C	.	.	H	α-helix	trans	-67.9	-44.6	176.1	-61.1	168.3	0	0	0	111.1	T131 F132 P133 R137 S138 M139 L379 Y384 M391	T131-I135 PolarHBondContact O-N 3.31Å; T131-I135 VanDerWaalsContact O-N 3.11Å; F132-I135 PolarHBondContact O-N 2.94Å; P133-I135 VanDerWaalsContact C-N 3.35Å; I135-R137 PolarHBondContact O-N 2.98Å; I135-S138 PolarHBondContact O-N 3.25Å; I135-M139 HydrophobicContact CG2-CB 4.31Å; I135-M139 HydrophobicContact CG2-CG 4.29Å; I135-M139 WeakPolarHBondContact O-CA 3.34Å; I135-M139 VanDerWaalsContact O-CB 3.29Å; I135-M139 WeakPolarHBondContact O-CB 3.39Å; I135-M139 PolarHBondContact O-N 3.15Å; I135-L379 HydrophobicContact CB-CD2 3.93Å; I135-L379 HydrophobicContact CD1-CD1 4.19Å; I135-L379 HydrophobicContact CG2-CD1 4.3Å; I135-L379 HydrophobicContact CG2-CD2 3.6Å; I135-Y384 HydrophobicContact CG2-CD1 4.23Å; I135-Y384 HydrophobicContact CG2-CD2 3.95Å; I135-Y384 HydrophobicContact CG2-CE1 3.99Å; I135-Y384 HydrophobicContact CG2-CE2 3.68Å; I135-Y384 HydrophobicContact CG2-CG 4.21Å; I135-M391 HydrophobicContact CD1-CE 4.49Å
136	L	97.5	Very high	97.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.178	C	C	.	.	I	π-helix	trans	-55.9	-49.8	178	-80.6	172.8	0	0	0	111.9	F132 P133 C140 G141 Y142 T144 F226 I378 L379 A382	F132-L136 HydrophobicContact CD2-CD1 3.6Å; F132-L136 HydrophobicContact CD2-CG 4.31Å; F132-L136 HydrophobicContact CE2-CD1 3.84Å; F132-L136 WeakPolarHBondContact O-CB 3.35Å; F132-L136 WeakPolarHBondContact O-CG 3.42Å; F132-L136 PolarHBondContact O-N 3.34Å; P133-L136 PolarHBondContact O-N 2.99Å; L136-C140 HydrophobicContact CD2-CB 4.35Å; L136-C140 CarbonylContact O-C 3.49Å; L136-C140 WeakPolarHBondContact O-CA 3.22Å; L136-C140 VanDerWaalsContact O-CB 3.22Å; L136-C140 WeakPolarHBondContact O-CB 3.33Å; L136-C140 PolarHBondContact O-N 2.87Å; L136-G141 PolarHBondContact O-N 2.99Å; L136-Y142 HydrophobicContact CD2-CD2 4.24Å; L136-Y142 HydrophobicContact CD2-CE2 4.47Å; L136-Y142 HydrophobicContact CD2-CG 4.29Å; L136-Y142 PolarHBondContact O-N 3.27Å; L136-T144 HydrophobicContact CB-CG2 4.4Å; L136-F226 HydrophobicContact CD1-CB 4.08Å; L136-F226 HydrophobicContact CD1-CD1 3.87Å; L136-F226 HydrophobicContact CD1-CE1 4.49Å; L136-F226 HydrophobicContact CD1-CG 3.88Å; L136-I378 HydrophobicContact CD1-CG2 3.62Å; L136-I378 HydrophobicContact CD2-CG2 4.27Å; L136-I378 HydrophobicContact CG-CG2 4.45Å; L136-L379 HydrophobicContact CD2-CD2 3.94Å; L136-L379 HydrophobicContact CG-CD2 3.88Å; L136-A382 HydrophobicContact CD2-CB 3.49Å; L136-A382 VanDerWaalsContact CD2-CB 3.49Å
137	R	96.9	Very high	97.7	Very high	121 Å²	121	27.9 Å²	27.9	46%	0.457	16%	0.156	S	C	.	.	I	π-helix	trans	-66.1	-49.7	-179.3	-176.8	177.4	173.2	-169.4	1.1	111.4	P133 I135 T144 G168 W169	P133-R137 PolarHBondContact O-N 3.31Å; I135-R137 PolarHBondContact O-N 2.98Å; R137-T144 HydrophobicContact CB-CG2 4.13Å; R137-G168 WeakPolarHBondContact CB-O 3.47Å; R137-G168 WeakPolarHBondContact CD-O 3.29Å; R137-W169 PolarHBondContact NH1-O 2.52Å
138	S	96.8	Very high	97.7	Very high	86 Å²	86	27.4 Å²	27.4	60%	0.601	15%	0.154	S	C	*	.	I	π-helix	trans	-76	-33.8	-172.2	59.9	0	0	0	0	114.1	A134 I135	A134-S138 WeakPolarHBondContact O-CB 3.46Å; A134-S138 PolarHBondContact O-N 2.97Å; A134-S138 PolarHBondContact O-OG 3.38Å; I135-S138 PolarHBondContact O-N 3.25Å
139	M	96.7	Very high	97.8	Very high	132 Å²	132	27.2 Å²	27.2	65%	0.65	15%	0.153	S	C	*	.	I	π-helix	trans	-112.1	-23.8	-171.5	-60.5	-66.8	-163.3	0	0	114	I135 Y384	I135-M139 HydrophobicContact CG2-CB 4.31Å; I135-M139 HydrophobicContact CG2-CG 4.29Å; I135-M139 WeakPolarHBondContact O-CA 3.34Å; I135-M139 VanDerWaalsContact O-CB 3.29Å; I135-M139 WeakPolarHBondContact O-CB 3.39Å; I135-M139 PolarHBondContact O-N 3.15Å; M139-Y384 HydrophobicContact CB-CD2 3.98Å; M139-Y384 HydrophobicContact CB-CE2 3.67Å; M139-Y384 HydrophobicContact CG-CE2 3.92Å
140	C	96.3	Very high	97.8	Very high	6 Å²	6	25.1 Å²	25.1	4%	0.041	14%	0.139	C	C	.	.	I	π-helix	trans	-110.6	-9.1	-173.2	-50.5	0	0	0	0	113.7	R46 L136 Y142 A382	R46-C140 PolarHBondContact NH1-O 3.17Å; L136-C140 HydrophobicContact CD2-CB 4.35Å; L136-C140 CarbonylContact O-C 3.49Å; L136-C140 WeakPolarHBondContact O-CA 3.22Å; L136-C140 VanDerWaalsContact O-CB 3.22Å; L136-C140 WeakPolarHBondContact O-CB 3.33Å; L136-C140 PolarHBondContact O-N 2.87Å; C140-Y142 HydrophobicContact CB-CD2 3.69Å; C140-Y142 HydrophobicContact CB-CE2 4.02Å; C140-A382 HydrophobicContact CB-CB 3.97Å
141	G	95.6	Very high	97.9	Very high	39 Å²	39	20.6 Å²	20.6	40%	0.402	12%	0.115	S	C	.	.			trans	71.8	29.1	177.5	0	0	0	0	0	113.9	L136	L136-G141 PolarHBondContact O-N 2.99Å
142	Y	97.9	Very high	97.9	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.016	12%	0.115	C	C	.	.			trans	-82.6	139.4	177.1	-84	-117.9	0	0	0	111.1	P47 L136 C140 P224 F226 A382	P47-Y142 WeakPolarHBondContact O-CE1 3.22Å; P47-Y142 PolarHBondContact O-OH 3.19Å; L136-Y142 HydrophobicContact CD2-CD2 4.24Å; L136-Y142 HydrophobicContact CD2-CE2 4.47Å; L136-Y142 HydrophobicContact CD2-CG 4.29Å; L136-Y142 PolarHBondContact O-N 3.27Å; C140-Y142 HydrophobicContact CB-CD2 3.69Å; C140-Y142 HydrophobicContact CB-CE2 4.02Å; Y142-P224 WeakPolarHBondContact CA-O 3.35Å; Y142-P224 HydrophobicContact CD1-CB 4.07Å; Y142-P224 HydrophobicContact CD1-CG 4.17Å; Y142-P224 HydrophobicContact CD2-CB 4.32Å; Y142-P224 HydrophobicContact CD2-CG 3.59Å; Y142-P224 HydrophobicContact CE1-CB 3.74Å; Y142-P224 HydrophobicContact CE1-CG 4.09Å; Y142-P224 HydrophobicContact CE2-CB 4.01Å; Y142-P224 HydrophobicContact CE2-CG 3.51Å; Y142-P224 HydrophobicContact CG-CB 4.34Å; Y142-P224 HydrophobicContact CG-CG 3.91Å; Y142-F226 HydrophobicContact CD1-CB 3.94Å; Y142-A382 HydrophobicContact CD2-CB 4.25Å; Y142-A382 HydrophobicContact CE2-CB 3.44Å; Y142-A382 VanDerWaalsContact CE2-CB 3.44Å; Y142-A382 WeakPolarHBondContact OH-CA 3.43Å
143	Q	97.8	Very high	97.8	Very high	9 Å²	9	23.3 Å²	23.3	4%	0.042	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	122.2	157.2	-67	174.9	93.8	0	0	108.5	F215 S220 E223 P224 F225 F226	Q143-F215 HydrophobicContact CB-CZ 4.3Å; Q143-S220 PolarHBondContact NE2-O 3.08Å; Q143-E223 HydrophobicContact CG-CB 4.02Å; Q143-E223 WeakPolarHBondContact CG-OE2 3.43Å; Q143-P224 PolarHBondContact N-O 3Å; Q143-F225 HydrophobicContact CB-CB 4.33Å; Q143-F225 CarbonylContact O-C 3.6Å; Q143-F225 WeakPolarHBondContact O-CA 3.04Å; Q143-F226 PolarHBondContact O-N 2.83Å
144	T	98.6	Very high	97.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	133.3	-176.1	49.7	0	0	0	0	110.8	L136 R137 G168 W169 S170 Y171 F226	L136-T144 HydrophobicContact CB-CG2 4.4Å; R137-T144 HydrophobicContact CB-CG2 4.13Å; T144-G168 VanDerWaalsContact CB-O 3.22Å; T144-G168 WeakPolarHBondContact CB-O 3.41Å; T144-G168 WeakPolarHBondContact CG2-O 3.44Å; T144-G168 PolarHBondContact OG1-O 2.83Å; T144-W169 VanDerWaalsContact OG1-CA 3.24Å; T144-W169 WeakPolarHBondContact OG1-CA 3.5Å; T144-S170 PolarHBondContact N-OG 3.31Å; T144-S170 CarbonylContact O-C 3.49Å; T144-S170 WeakPolarHBondContact O-CA 3.13Å; T144-S170 VanDerWaalsContact O-CB 3.3Å; T144-S170 WeakPolarHBondContact O-CB 3.36Å; T144-S170 PolarHBondContact O-N 2.81Å; T144-S170 PolarHBondContact OG1-N 3.41Å; T144-S170 PolarHBondContact OG1-OG 3.46Å; T144-Y171 PolarHBondContact O-N 2.66Å; T144-F226 CarbonylContact C-O 3.48Å; T144-F226 WeakPolarHBondContact CA-O 3.41Å; T144-F226 HydrophobicContact CG2-CB 4.33Å; T144-F226 HydrophobicContact CG2-CD1 4.24Å
145	F	98.8	Very high	97.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	132.5	-177.7	170.2	-84.4	0	0	0	109.6	A147 W169 Y171 Y173 V211 S212 F215 F226 M227 M228 I229	F145-A147 HydrophobicContact CE1-CB 3.51Å; F145-A147 HydrophobicContact CZ-CB 3.55Å; F145-W169 WeakPolarHBondContact O-CZ3 3.32Å; F145-Y171 WeakPolarHBondContact CA-O 3.27Å; F145-Y171 HydrophobicContact CD2-CG 4.45Å; F145-Y173 HydrophobicContact CD2-CD2 4.44Å; F145-Y173 HydrophobicContact CD2-CE2 4.48Å; F145-Y173 AromaticContact CE2-CD2 3.73Å; F145-Y173 HydrophobicContact CE2-CD2 3.73Å; F145-Y173 AromaticContact CE2-CE2 3.84Å; F145-Y173 HydrophobicContact CE2-CE2 3.84Å; F145-Y173 HydrophobicContact CZ-CD2 4.28Å; F145-V211 HydrophobicContact CZ-CG2 4.17Å; F145-S212 WeakPolarHBondContact CE1-OG 3.4Å; F145-S212 WeakPolarHBondContact CZ-OG 3.3Å; F145-F215 HydrophobicContact CB-CD1 3.97Å; F145-F215 HydrophobicContact CB-CD2 4.1Å; F145-F215 HydrophobicContact CB-CE1 3.88Å; F145-F215 HydrophobicContact CB-CE2 4.03Å; F145-F215 HydrophobicContact CB-CG 4.06Å; F145-F215 HydrophobicContact CB-CZ 3.91Å; F145-F215 HydrophobicContact CD2-CB 3.54Å; F145-F215 HydrophobicContact CD2-CD1 4.06Å; F145-F215 AromaticContact CD2-CD2 3.77Å; F145-F215 HydrophobicContact CD2-CD2 3.77Å; F145-F215 AromaticContact CD2-CG 3.49Å; F145-F215 HydrophobicContact CD2-CG 3.49Å; F145-F215 VanDerWaalsContact CD2-CG 3.49Å; F145-F215 HydrophobicContact CE2-CB 3.64Å; F145-F215 HydrophobicContact CE2-CG 4.13Å; F145-F215 HydrophobicContact CG-CB 4.28Å; F145-F215 AromaticContact CG-CD1 3.97Å; F145-F215 HydrophobicContact CG-CD1 3.97Å; F145-F215 HydrophobicContact CG-CD2 4.25Å; F145-F215 HydrophobicContact CG-CE1 4.39Å; F145-F215 AromaticContact CG-CG 3.88Å; F145-F215 HydrophobicContact CG-CG 3.88Å; F145-F215 HydrophobicContact CZ-CB 4.42Å; F145-F226 PolarHBondContact N-O 3.01Å; F145-M227 HydrophobicContact CB-CB 4.49Å; F145-M227 HydrophobicContact CB-CG 4.01Å; F145-M227 HydrophobicContact CD1-CB 3.99Å; F145-M227 HydrophobicContact CD1-CE 3.85Å; F145-M227 HydrophobicContact CD1-CG 3.95Å; F145-M227 HydrophobicContact CE1-CE 3.93Å; F145-M227 HydrophobicContact CG-CE 4.45Å; F145-M227 HydrophobicContact CG-CG 4.25Å; F145-M227 CarbonylContact O-C 3.06Å; F145-M227 WeakPolarHBondContact O-CA 3.29Å; F145-M228 PolarHBondContact O-N 2.83Å; F145-I229 HydrophobicContact CE1-CG1 4.32Å
146	F	98.9	Very high	97.8	Very high	1 Å²	1	22.6 Å²	22.6	0%	0.004	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.4	172.2	-176.6	-91.6	0	0	0	110.4	G148 K149 Y150 W169 Y171 W172 Y173 A174 M228 A230	F146-G148 WeakPolarHBondContact CE1-O 3.39Å; F146-K149 WeakPolarHBondContact CZ-O 3.41Å; F146-Y150 HydrophobicContact CE2-CD2 4.25Å; F146-Y150 HydrophobicContact CZ-CD2 4.17Å; F146-Y150 HydrophobicContact CZ-CG 4.47Å; F146-W169 HydrophobicContact CB-CD2 3.82Å; F146-W169 HydrophobicContact CB-CE3 3.62Å; F146-W169 HydrophobicContact CB-CG 4.45Å; F146-W169 HydrophobicContact CB-CH2 4.04Å; F146-W169 HydrophobicContact CB-CZ2 4.25Å; F146-W169 HydrophobicContact CB-CZ3 3.75Å; F146-W169 AromaticContact CD2-CH2 3.79Å; F146-W169 HydrophobicContact CD2-CH2 3.79Å; F146-W169 AromaticContact CD2-CZ2 3.84Å; F146-W169 HydrophobicContact CD2-CZ2 3.84Å; F146-W169 HydrophobicContact CD2-CZ3 4.33Å; F146-W169 HydrophobicContact CG-CH2 4.38Å; F146-W169 HydrophobicContact CG-CZ2 4.37Å; F146-Y171 PolarHBondContact N-O 2.81Å; F146-W172 HydrophobicContact CB-CE3 3.5Å; F146-W172 VanDerWaalsContact CB-CE3 3.5Å; F146-W172 HydrophobicContact CB-CZ3 3.53Å; F146-W172 HydrophobicContact CD1-CD2 4.3Å; F146-W172 AromaticContact CD1-CE3 3.73Å; F146-W172 HydrophobicContact CD1-CE3 3.73Å; F146-W172 AromaticContact CD1-CH2 3.69Å; F146-W172 HydrophobicContact CD1-CH2 3.69Å; F146-W172 HydrophobicContact CD1-CZ2 4.29Å; F146-W172 AromaticContact CD1-CZ3 3.37Å; F146-W172 HydrophobicContact CD1-CZ3 3.37Å; F146-W172 HydrophobicContact CD2-CZ3 4.04Å; F146-W172 AromaticContact CE1-CH2 3.97Å; F146-W172 HydrophobicContact CE1-CH2 3.97Å; F146-W172 HydrophobicContact CE1-CZ3 4.1Å; F146-W172 AromaticContact CG-CE3 3.78Å; F146-W172 HydrophobicContact CG-CE3 3.78Å; F146-W172 HydrophobicContact CG-CH2 4.05Å; F146-W172 AromaticContact CG-CZ3 3.35Å; F146-W172 HydrophobicContact CG-CZ3 3.35Å; F146-Y173 PolarHBondContact O-N 3.44Å; F146-A174 HydrophobicContact CD1-CB 4.06Å; F146-A174 HydrophobicContact CE1-CB 3.86Å; F146-M228 WeakPolarHBondContact CA-O 3.22Å; F146-M228 HydrophobicContact CD2-CB 3.95Å; F146-M228 HydrophobicContact CD2-CG 4Å; F146-M228 HydrophobicContact CD2-SD 4.04Å; F146-M228 HydrophobicContact CE2-CB 4.47Å; F146-M228 HydrophobicContact CE2-CE 4.38Å; F146-M228 HydrophobicContact CE2-CG 4.02Å; F146-M228 HydrophobicContact CE2-SD 3.89Å; F146-A230 HydrophobicContact CE2-CB 4.11Å; F146-A230 HydrophobicContact CZ-CB 4.01Å
147	A	98.9	Very high	97.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	128.9	169.9	0	0	0	0	0	111.7	F145 Y173 L208 V211 M228 I229 A230	F145-A147 HydrophobicContact CE1-CB 3.51Å; F145-A147 HydrophobicContact CZ-CB 3.55Å; A147-Y173 CarbonylContact C-O 3.56Å; A147-Y173 VanDerWaalsContact CA-O 3.27Å; A147-Y173 WeakPolarHBondContact CA-O 3.29Å; A147-L208 HydrophobicContact CB-CD2 3.91Å; A147-V211 HydrophobicContact CB-CG2 4.15Å; A147-M228 PolarHBondContact N-O 2.87Å; A147-I229 CarbonylContact O-C 3.53Å; A147-I229 WeakPolarHBondContact O-CA 3.33Å; A147-A230 PolarHBondContact O-N 2.82Å
148	G	98.7	Very high	97.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	119.3	-148.3	172.6	0	0	0	0	0	114.4	F146 Y150 Y173 A174 L175 A230	F146-G148 WeakPolarHBondContact CE1-O 3.39Å; G148-Y150 PolarHBondContact O-N 2.92Å; G148-Y173 PolarHBondContact N-O 3.2Å; G148-A174 CarbonylContact O-C 3.55Å; G148-A174 WeakPolarHBondContact O-CA 3.27Å; G148-L175 PolarHBondContact O-N 3Å; G148-A230 CarbonylContact C-O 3.54Å; G148-A230 VanDerWaalsContact CA-O 3.29Å; G148-A230 WeakPolarHBondContact CA-O 3.35Å
149	K	98.5	Very high	97.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.138	C	C	.	.			trans	-78.7	119.2	-178.6	-176.4	-173.9	175.4	177.6	0	110.4	D55 R95 F146 N152 L175 N178 S179 A230	D55-K149 IonicContact OD1-NZ 2.65Å; D55-K149 WeakPolarHBondContact OD2-CD 3.45Å; D55-K149 VanDerWaalsContact OD2-CE 3.31Å; D55-K149 WeakPolarHBondContact OD2-CE 3.35Å; D55-K149 IonicContact OD2-NZ 3.72Å; D55-K149 PolarHBondContact OD2-NZ 2.95Å; R95-K149 PolarHBondContact NH1-O 3.19Å; F146-K149 WeakPolarHBondContact CZ-O 3.41Å; K149-N152 VanDerWaalsContact CE-OD1 3.29Å; K149-N152 WeakPolarHBondContact CE-OD1 3.41Å; K149-L175 HydrophobicContact CB-CD2 4.48Å; K149-N178 WeakPolarHBondContact CE-OD1 3.27Å; K149-N178 PolarHBondContact NZ-OD1 2.99Å; K149-S179 WeakPolarHBondContact CD-OG 3.39Å; K149-S179 PolarHBondContact NZ-OG 3.21Å; K149-A230 PolarHBondContact N-O 3.42Å; K149-A230 VanDerWaalsContact O-CB 3.29Å; K149-A230 WeakPolarHBondContact O-CB 3.34Å
150	Y	98.5	Very high	97.8	Very high	7 Å²	7	18.4 Å²	18.4	3%	0.027	12%	0.117	C	C	.	.			trans	-83	-104.6	173.1	-177.9	-128.2	0	0	0	110	R95 L99 W123 F146 G148 Y154 P166 W172	R95-Y150 WeakPolarHBondContact CD-O 3.35Å; L99-Y150 HydrophobicContact CD1-CD2 4.18Å; L99-Y150 HydrophobicContact CD1-CE2 3.34Å; L99-Y150 HydrophobicContact CD2-CE2 4.19Å; L99-Y150 HydrophobicContact CG-CE2 4.41Å; W123-Y150 PolarHBondContact NE1-OH 3.05Å; F146-Y150 HydrophobicContact CE2-CD2 4.25Å; F146-Y150 HydrophobicContact CZ-CD2 4.17Å; F146-Y150 HydrophobicContact CZ-CG 4.47Å; G148-Y150 PolarHBondContact O-N 2.92Å; Y150-Y154 AromaticContact CD1-CD2 3.91Å; Y150-Y154 HydrophobicContact CD1-CD2 3.91Å; Y150-Y154 HydrophobicContact CD1-CG 4.12Å; Y150-P166 HydrophobicContact CD1-CG 4.3Å; Y150-P166 HydrophobicContact CE1-CG 3.78Å; Y150-W172 AromaticContact CD1-CH2 3.98Å; Y150-W172 HydrophobicContact CD1-CH2 3.98Å; Y150-W172 HydrophobicContact CD1-CZ2 4.22Å; Y150-W172 AromaticContact CD2-CH2 3.76Å; Y150-W172 HydrophobicContact CD2-CH2 3.76Å; Y150-W172 HydrophobicContact CE1-CH2 4.44Å; Y150-W172 HydrophobicContact CE2-CH2 4.22Å; Y150-W172 AromaticContact CG-CH2 3.63Å; Y150-W172 HydrophobicContact CG-CH2 3.63Å; Y150-W172 HydrophobicContact CG-CZ2 4.15Å
151	L	98.2	Very high	97.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-113.2	148.8	173.8	-71.7	-178.5	0	0	0	108.1	C92 R95 S119 W123 E153 Y154	C92-L151 HydrophobicContact CB-CD2 4.23Å; R95-L151 HydrophobicContact CB-CD2 3.64Å; S119-L151 WeakPolarHBondContact OG-CB 3.47Å; W123-L151 HydrophobicContact CD2-CD1 4.06Å; W123-L151 VanDerWaalsContact CE2-CD1 3.5Å; W123-L151 HydrophobicContact CG-CD1 4.44Å; W123-L151 HydrophobicContact CH2-CD1 4.46Å; W123-L151 HydrophobicContact CZ2-CD1 3.74Å; L151-E153 VanDerWaalsContact C-N 3.26Å; L151-E153 PolarHBondContact O-N 3.29Å; L151-E153 VanDerWaalsContact O-N 3.08Å; L151-Y154 WeakPolarHBondContact O-CB 3.3Å; L151-Y154 PolarHBondContact O-N 2.93Å
152	N	97.6	Very high	97.9	Very high	5 Å²	5	17.3 Å²	17.3	3%	0.027	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.6	-164.6	-68.3	35.8	0	0	0	115.5	C91 C92 N112 C118 K149 K177	C91-N152 VanDerWaalsContact CB-OD1 3.31Å; C91-N152 WeakPolarHBondContact CB-OD1 3.48Å; C92-N152 WeakPolarHBondContact SG-CB 3.32Å; C92-N152 VanDerWaalsContact SG-CG 3.5Å; C92-N152 PolarHBondContact SG-N 2.97Å; C92-N152 PolarHBondContact SG-OD1 3.37Å; C92-N152 VanDerWaalsContact SG-OD1 3.34Å; N112-N152 HydrophobicContact CB-CB 4.33Å; N112-N152 VanDerWaalsContact CG-ND2 3.27Å; N112-N152 PolarHBondContact ND2-ND2 3.37Å; C118-N152 PolarHBondContact SG-N 3.2Å; C118-N152 VanDerWaalsContact SG-N 3.39Å; K149-N152 VanDerWaalsContact CE-OD1 3.29Å; K149-N152 WeakPolarHBondContact CE-OD1 3.41Å; N152-K177 CarbonylContact O-C 3.46Å; N152-K177 WeakPolarHBondContact O-CA 3.44Å
153	E	97.7	Very high	97.9	Very high	54 Å²	54	23.5 Å²	23.5	25%	0.252	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	6.8	-178.2	-65.1	-61.2	151.7	0	0	113	N112 L114 L151 G155 A156 A159	N112-E153 WeakPolarHBondContact O-CG 3.15Å; L114-E153 HydrophobicContact CD2-CB 3.72Å; L114-E153 HydrophobicContact CD2-CG 4.26Å; L114-E153 HydrophobicContact CG-CB 4Å; L114-E153 HydrophobicContact CG-CG 4.01Å; L151-E153 VanDerWaalsContact C-N 3.26Å; L151-E153 PolarHBondContact O-N 3.29Å; L151-E153 VanDerWaalsContact O-N 3.08Å; E153-G155 PolarHBondContact O-N 3.33Å; E153-A156 VanDerWaalsContact O-CB 3.25Å; E153-A156 WeakPolarHBondContact O-CB 3.31Å; E153-A156 PolarHBondContact O-N 2.91Å; E153-A156 VanDerWaalsContact O-N 3.17Å; E153-A159 WeakPolarHBondContact O-CB 3.41Å
154	Y	98.4	Very high	97.9	Very high	3 Å²	3	25 Å²	25	1%	0.012	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	138.4	176.1	175.1	-96.9	0	0	0	111.4	S119 Y150 L151 A156 L162 H164 P166 W172 A174 L175 K177 S187	S119-Y154 PolarHBondContact OG-N 2.96Å; S119-Y154 VanDerWaalsContact OG-N 3.15Å; Y150-Y154 AromaticContact CD1-CD2 3.91Å; Y150-Y154 HydrophobicContact CD1-CD2 3.91Å; Y150-Y154 HydrophobicContact CD1-CG 4.12Å; L151-Y154 WeakPolarHBondContact O-CB 3.3Å; L151-Y154 PolarHBondContact O-N 2.93Å; Y154-A156 PolarHBondContact O-N 2.92Å; Y154-L162 HydrophobicContact CE1-CD2 4.15Å; Y154-L162 PolarHBondContact OH-O 3.33Å; Y154-H164 VanDerWaalsContact CE2-O 3.25Å; Y154-H164 WeakPolarHBondContact CE2-O 3.22Å; Y154-H164 PolarHBondContact OH-O 2.92Å; Y154-P166 HydrophobicContact CE2-CG 4.5Å; Y154-W172 HydrophobicContact CD2-CZ2 4.19Å; Y154-W172 HydrophobicContact CE1-CZ2 4.29Å; Y154-W172 AromaticContact CE1-NE1 3.93Å; Y154-W172 AromaticContact CE2-CZ2 3.75Å; Y154-W172 HydrophobicContact CE2-CZ2 3.75Å; Y154-W172 AromaticContact CE2-NE1 3.94Å; Y154-W172 AromaticContact CZ-CE2 3.87Å; Y154-W172 AromaticContact CZ-CZ2 3.83Å; Y154-W172 AromaticContact CZ-NE1 3.3Å; Y154-W172 VanDerWaalsContact CZ-NE1 3.3Å; Y154-W172 PolarHBondContact OH-NE1 2.81Å; Y154-A174 HydrophobicContact CD1-CB 3.88Å; Y154-A174 HydrophobicContact CE1-CB 3.45Å; Y154-A174 VanDerWaalsContact CE1-CB 3.45Å; Y154-L175 WeakPolarHBondContact CD1-O 3.49Å; Y154-K177 WeakPolarHBondContact O-CA 3.44Å; Y154-K177 PolarHBondContact O-N 2.84Å; Y154-S187 WeakPolarHBondContact OH-CB 3.11Å; Y154-S187 PolarHBondContact OH-OG 2.91Å
155	G	97.8	Very high	97.9	Very high	3 Å²	3	27.2 Å²	27.2	3%	0.031	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	-10.9	-179.2	0	0	0	0	0	114.4	E153 G161	E153-G155 PolarHBondContact O-N 3.33Å; G155-G161 WeakPolarHBondContact CA-O 3.31Å; G155-G161 WeakPolarHBondContact O-CA 3.39Å
156	A	97.3	Very high	97.9	Very high	5 Å²	5	27.3 Å²	27.3	4%	0.041	15%	0.154	C	C	.	.			trans	-62	142.7	170.2	0	0	0	0	0	110.3	E153 Y154 D158 A159 G160 G161	E153-A156 VanDerWaalsContact O-CB 3.25Å; E153-A156 WeakPolarHBondContact O-CB 3.31Å; E153-A156 PolarHBondContact O-N 2.91Å; E153-A156 VanDerWaalsContact O-N 3.17Å; Y154-A156 PolarHBondContact O-N 2.92Å; A156-D158 PolarHBondContact O-N 3.5Å; A156-A159 HydrophobicContact CB-CB 4.08Å; A156-A159 CarbonylContact O-C 3.54Å; A156-A159 VanDerWaalsContact O-CA 3.32Å; A156-A159 WeakPolarHBondContact O-CA 3.35Å; A156-A159 WeakPolarHBondContact O-CB 3.48Å; A156-A159 PolarHBondContact O-N 3.45Å; A156-G160 PolarHBondContact O-N 3Å; A156-G161 WeakPolarHBondContact O-CA 3.31Å; A156-G161 PolarHBondContact O-N 3.37Å
157	P	97.1	Very high	97.8	Very high	105 Å²	105	31.9 Å²	31.9	68%	0.682	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-51.5	-42.6	177.7	-29.7	36.2	0	0	0	113.4	A159 G160	P157-A159 VanDerWaalsContact C-N 3.27Å; P157-A159 PolarHBondContact O-N 3.19Å; P157-G160 WeakPolarHBondContact O-CA 3.44Å; P157-G160 PolarHBondContact O-N 2.94Å
158	D	96.6	Very high	97.7	Very high	124 Å²	124	32.1 Å²	32.1	66%	0.663	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-71.2	-22.6	178.6	-60.4	-37.3	0	0	0	113.1	L114 A156 G160	L114-D158 HydrophobicContact CD1-CB 3.72Å; A156-D158 PolarHBondContact O-N 3.5Å; D158-G160 VanDerWaalsContact C-N 3.25Å; D158-G160 PolarHBondContact O-N 3.02Å
159	A	97	Very high	97.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-85.1	14.4	167	0	0	0	0	0	112.7	L114 Q124 E153 A156 P157	L114-A159 HydrophobicContact CD2-CB 4Å; Q124-A159 PolarHBondContact NE2-O 3.35Å; E153-A159 WeakPolarHBondContact O-CB 3.41Å; A156-A159 HydrophobicContact CB-CB 4.08Å; A156-A159 CarbonylContact O-C 3.54Å; A156-A159 VanDerWaalsContact O-CA 3.32Å; A156-A159 WeakPolarHBondContact O-CA 3.35Å; A156-A159 WeakPolarHBondContact O-CB 3.48Å; A156-A159 PolarHBondContact O-N 3.45Å; P157-A159 VanDerWaalsContact C-N 3.27Å; P157-A159 PolarHBondContact O-N 3.19Å
160	G	97	Very high	97.6	Very high	22 Å²	22	34.4 Å²	34.4	23%	0.227	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	9.5	-179.5	0	0	0	0	0	116.4	A156 P157 D158	A156-G160 PolarHBondContact O-N 3Å; P157-G160 WeakPolarHBondContact O-CA 3.44Å; P157-G160 PolarHBondContact O-N 2.94Å; D158-G160 VanDerWaalsContact C-N 3.25Å; D158-G160 PolarHBondContact O-N 3.02Å
161	G	97.8	Very high	97.6	Very high	9 Å²	9	37.7 Å²	37.7	9%	0.093	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	-172.2	175.9	0	0	0	0	0	113.5	G155 A156 E163	G155-G161 WeakPolarHBondContact CA-O 3.31Å; G155-G161 WeakPolarHBondContact O-CA 3.39Å; A156-G161 WeakPolarHBondContact O-CA 3.31Å; A156-G161 PolarHBondContact O-N 3.37Å; G161-E163 WeakPolarHBondContact CA-OE2 3.3Å; G161-E163 PolarHBondContact O-N 3.24Å
162	L	97.8	Very high	97.6	Very high	13 Å²	13	37.7 Å²	37.7	7%	0.068	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-14.3	178.4	-69.5	168.4	0	0	0	112.1	Y154 H164 E176 T185 S187 G190 A192	Y154-L162 HydrophobicContact CE1-CD2 4.15Å; Y154-L162 PolarHBondContact OH-O 3.33Å; L162-H164 VanDerWaalsContact C-N 3.29Å; L162-E176 HydrophobicContact CD2-CB 3.83Å; L162-E176 HydrophobicContact CD2-CG 4.03Å; L162-T185 HydrophobicContact CD1-CG2 3.57Å; L162-S187 WeakPolarHBondContact O-CB 3.38Å; L162-S187 PolarHBondContact O-OG 3.02Å; L162-G190 CarbonylContact O-C 3.51Å; L162-G190 VanDerWaalsContact O-CA 3.3Å; L162-G190 WeakPolarHBondContact O-CA 3.42Å; L162-A192 HydrophobicContact CB-CB 4.45Å; L162-A192 HydrophobicContact CD1-CB 3.54Å
163	E	97.7	Very high	97.7	Very high	134 Å²	134	39.6 Å²	39.6	63%	0.626	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-24.4	177.6	-57.9	72.2	-157.7	0	0	111.9	G161 V165 G190	G161-E163 WeakPolarHBondContact CA-OE2 3.3Å; G161-E163 PolarHBondContact O-N 3.24Å; E163-V165 PolarHBondContact O-N 2.87Å; E163-G190 WeakPolarHBondContact CA-O 3.34Å
164	H	98	Very high	97.7	Very high	39 Å²	39	37 Å²	37	18%	0.181	20%	0.204	C	C	.	.			trans	-68.8	114.3	173.1	-176.5	64.8	0	0	0	110.2	Q124 E128 Y154 L162	Q124-H164 WeakPolarHBondContact CG-NE2 3.44Å; E128-H164 IonicContact OE1-CD2 2.99Å; E128-H164 IonicContact OE1-NE2 3.26Å; E128-H164 PolarHBondContact OE1-NE2 2.84Å; E128-H164 VanDerWaalsContact OE1-NE2 3.12Å; E128-H164 IonicContact OE2-CE1 2.92Å; E128-H164 PolarHBondContact OE2-CE1 2.87Å; E128-H164 VanDerWaalsContact OE2-CE1 3.25Å; E128-H164 IonicContact OE2-NE2 3.95Å; E128-H164 PolarHBondContact OE2-NE2 2.82Å; Y154-H164 VanDerWaalsContact CE2-O 3.25Å; Y154-H164 WeakPolarHBondContact CE2-O 3.22Å; Y154-H164 PolarHBondContact OH-O 2.92Å; L162-H164 VanDerWaalsContact C-N 3.29Å
165	V	98.3	Very high	97.7	Very high	48 Å²	48	36.9 Å²	36.9	29%	0.291	20%	0.203	S	C	.	.			trans	-105.8	114	167.8	178.2	0	0	0	0	106.9	E163 W172	E163-V165 PolarHBondContact O-N 2.87Å; V165-W172 HydrophobicContact CG1-CB 3.85Å; V165-W172 HydrophobicContact CG1-CD2 4.31Å; V165-W172 HydrophobicContact CG1-CG 3.88Å; V165-W172 HydrophobicContact CG2-CG 4.35Å
166	P	98.1	Very high	97.7	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.013	21%	0.212	C	C	.	.			trans	-54.8	146	179.6	-27.4	36.2	0	0	0	111.9	E128 Y150 Y154 G168 W169 W172	E128-P166 HydrophobicContact CG-CB 4.39Å; Y150-P166 HydrophobicContact CD1-CG 4.3Å; Y150-P166 HydrophobicContact CE1-CG 3.78Å; Y154-P166 HydrophobicContact CE2-CG 4.5Å; P166-G168 PolarHBondContact O-N 2.81Å; P166-W169 VanDerWaalsContact O-CD1 3.32Å; P166-W172 HydrophobicContact CB-CH2 4.45Å; P166-W172 HydrophobicContact CG-CH2 3.61Å; P166-W172 HydrophobicContact CG-CZ2 3.65Å; P166-W172 HydrophobicContact CG-CZ3 4.21Å
167	L	96	Very high	97.7	Very high	96 Å²	96	43 Å²	43	50%	0.503	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	143.4	177.7	-69.7	173.7	0	0	0	110.6	P129 A134	P129-L167 HydrophobicContact CB-CD1 4.01Å; P129-L167 HydrophobicContact CG-CD1 3.82Å; A134-L167 HydrophobicContact CB-CB 4.44Å
168	G	97.3	Very high	97.5	Very high	6 Å²	6	41 Å²	41	6%	0.062	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.3	-4.6	176.6	0	0	0	0	0	116.2	A134 R137 T144 P166	A134-G168 VanDerWaalsContact CA-CA 3.47Å; R137-G168 WeakPolarHBondContact CB-O 3.47Å; R137-G168 WeakPolarHBondContact CD-O 3.29Å; T144-G168 VanDerWaalsContact CB-O 3.22Å; T144-G168 WeakPolarHBondContact CB-O 3.41Å; T144-G168 WeakPolarHBondContact CG2-O 3.44Å; T144-G168 PolarHBondContact OG1-O 2.83Å; P166-G168 PolarHBondContact O-N 2.81Å
169	W	98.1	Very high	97.4	Very high	6 Å²	6	35.6 Å²	35.6	2%	0.023	18%	0.184	C	C	.	.			trans	-106	122.9	-179.4	-58.1	107.5	0	0	0	112.9	L99 P133 R137 T144 F145 F146 P166 W172 F226 M228	L99-W169 HydrophobicContact CD2-CZ2 4.43Å; P133-W169 HydrophobicContact CB-CD2 4.29Å; P133-W169 HydrophobicContact CB-CE3 4.4Å; P133-W169 HydrophobicContact CB-CH2 3.83Å; P133-W169 HydrophobicContact CB-CZ2 3.65Å; P133-W169 HydrophobicContact CB-CZ3 4.18Å; P133-W169 HydrophobicContact CG-CH2 3.68Å; P133-W169 HydrophobicContact CG-CZ2 3.48Å; P133-W169 VanDerWaalsContact CG-CZ2 3.48Å; P133-W169 HydrophobicContact CG-CZ3 4.48Å; R137-W169 PolarHBondContact NH1-O 2.52Å; T144-W169 VanDerWaalsContact OG1-CA 3.24Å; T144-W169 WeakPolarHBondContact OG1-CA 3.5Å; F145-W169 WeakPolarHBondContact O-CZ3 3.32Å; F146-W169 HydrophobicContact CB-CD2 3.82Å; F146-W169 HydrophobicContact CB-CE3 3.62Å; F146-W169 HydrophobicContact CB-CG 4.45Å; F146-W169 HydrophobicContact CB-CH2 4.04Å; F146-W169 HydrophobicContact CB-CZ2 4.25Å; F146-W169 HydrophobicContact CB-CZ3 3.75Å; F146-W169 AromaticContact CD2-CH2 3.79Å; F146-W169 HydrophobicContact CD2-CH2 3.79Å; F146-W169 AromaticContact CD2-CZ2 3.84Å; F146-W169 HydrophobicContact CD2-CZ2 3.84Å; F146-W169 HydrophobicContact CD2-CZ3 4.33Å; F146-W169 HydrophobicContact CG-CH2 4.38Å; F146-W169 HydrophobicContact CG-CZ2 4.37Å; P166-W169 VanDerWaalsContact O-CD1 3.32Å; W169-W172 HydrophobicContact CB-CE3 3.8Å; W169-W172 HydrophobicContact CB-CZ3 4.48Å; W169-W172 AromaticContact CD1-CE3 3.42Å; W169-W172 VanDerWaalsContact CD1-CE3 3.42Å; W169-W172 AromaticContact CD1-CZ3 3.28Å; W169-W172 HydrophobicContact CD2-CE3 4.02Å; W169-W172 AromaticContact CD2-CZ3 3.94Å; W169-W172 HydrophobicContact CD2-CZ3 3.94Å; W169-W172 AromaticContact CE2-CZ3 3.69Å; W169-W172 AromaticContact CG-CE3 3.46Å; W169-W172 HydrophobicContact CG-CE3 3.46Å; W169-W172 VanDerWaalsContact CG-CE3 3.46Å; W169-W172 AromaticContact CG-CZ3 3.67Å; W169-W172 HydrophobicContact CG-CZ3 3.67Å; W169-W172 HydrophobicContact CZ2-CZ3 4.43Å; W169-W172 AromaticContact NE1-CE3 3.94Å; W169-W172 AromaticContact NE1-CZ3 3.31Å; W169-W172 VanDerWaalsContact NE1-CZ3 3.31Å; W169-F226 HydrophobicContact CH2-CD1 4.38Å; W169-F226 AromaticContact CH2-CE1 3.64Å; W169-F226 HydrophobicContact CH2-CE1 3.64Å; W169-F226 AromaticContact CZ3-CD1 3.98Å; W169-F226 HydrophobicContact CZ3-CD1 3.98Å; W169-F226 AromaticContact CZ3-CE1 3.67Å; W169-F226 HydrophobicContact CZ3-CE1 3.67Å; W169-M228 HydrophobicContact CH2-CB 3.82Å; W169-M228 HydrophobicContact CH2-SD 4.12Å; W169-M228 HydrophobicContact CZ3-CB 4.21Å
170	S	97.3	Very high	97.5	Very high	41 Å²	41	39.1 Å²	39.1	29%	0.287	20%	0.2	S	C	.	.	S	Bend	trans	-79.3	-35.7	173.2	-58.8	0	0	0	0	111.7	T144	T144-S170 PolarHBondContact N-OG 3.31Å; T144-S170 CarbonylContact O-C 3.49Å; T144-S170 WeakPolarHBondContact O-CA 3.13Å; T144-S170 VanDerWaalsContact O-CB 3.3Å; T144-S170 WeakPolarHBondContact O-CB 3.36Å; T144-S170 PolarHBondContact O-N 2.81Å; T144-S170 PolarHBondContact OG1-N 3.41Å; T144-S170 PolarHBondContact OG1-OG 3.46Å
171	Y	98.4	Very high	97.5	Very high	77 Å²	77	38.2 Å²	38.2	30%	0.302	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.7	177.5	-61.2	-92.4	0	0	0	109.5	T144 F145 F146 F215	T144-Y171 PolarHBondContact O-N 2.66Å; F145-Y171 WeakPolarHBondContact CA-O 3.27Å; F145-Y171 HydrophobicContact CD2-CG 4.45Å; F146-Y171 PolarHBondContact N-O 2.81Å; Y171-F215 HydrophobicContact CD1-CD2 4.46Å; Y171-F215 AromaticContact CD2-CD2 3.63Å; Y171-F215 HydrophobicContact CD2-CD2 3.63Å; Y171-F215 AromaticContact CD2-CE2 3.41Å; Y171-F215 HydrophobicContact CD2-CE2 3.41Å; Y171-F215 VanDerWaalsContact CD2-CE2 3.41Å; Y171-F215 AromaticContact CE2-CD2 3.85Å; Y171-F215 HydrophobicContact CE2-CD2 3.85Å; Y171-F215 AromaticContact CE2-CE2 3.5Å; Y171-F215 HydrophobicContact CE2-CE2 3.5Å; Y171-F215 AromaticContact CG-CD2 3.97Å; Y171-F215 HydrophobicContact CG-CD2 3.97Å; Y171-F215 HydrophobicContact CG-CE2 4.21Å
172	W	98.7	Very high	97.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	115	-170.6	-175	-103.2	0	0	0	111.2	F146 Y150 Y154 V165 P166 W169 A174 S187 I188 N189	F146-W172 HydrophobicContact CB-CE3 3.5Å; F146-W172 VanDerWaalsContact CB-CE3 3.5Å; F146-W172 HydrophobicContact CB-CZ3 3.53Å; F146-W172 HydrophobicContact CD1-CD2 4.3Å; F146-W172 AromaticContact CD1-CE3 3.73Å; F146-W172 HydrophobicContact CD1-CE3 3.73Å; F146-W172 AromaticContact CD1-CH2 3.69Å; F146-W172 HydrophobicContact CD1-CH2 3.69Å; F146-W172 HydrophobicContact CD1-CZ2 4.29Å; F146-W172 AromaticContact CD1-CZ3 3.37Å; F146-W172 HydrophobicContact CD1-CZ3 3.37Å; F146-W172 HydrophobicContact CD2-CZ3 4.04Å; F146-W172 AromaticContact CE1-CH2 3.97Å; F146-W172 HydrophobicContact CE1-CH2 3.97Å; F146-W172 HydrophobicContact CE1-CZ3 4.1Å; F146-W172 AromaticContact CG-CE3 3.78Å; F146-W172 HydrophobicContact CG-CE3 3.78Å; F146-W172 HydrophobicContact CG-CH2 4.05Å; F146-W172 AromaticContact CG-CZ3 3.35Å; F146-W172 HydrophobicContact CG-CZ3 3.35Å; Y150-W172 AromaticContact CD1-CH2 3.98Å; Y150-W172 HydrophobicContact CD1-CH2 3.98Å; Y150-W172 HydrophobicContact CD1-CZ2 4.22Å; Y150-W172 AromaticContact CD2-CH2 3.76Å; Y150-W172 HydrophobicContact CD2-CH2 3.76Å; Y150-W172 HydrophobicContact CE1-CH2 4.44Å; Y150-W172 HydrophobicContact CE2-CH2 4.22Å; Y150-W172 AromaticContact CG-CH2 3.63Å; Y150-W172 HydrophobicContact CG-CH2 3.63Å; Y150-W172 HydrophobicContact CG-CZ2 4.15Å; Y154-W172 HydrophobicContact CD2-CZ2 4.19Å; Y154-W172 HydrophobicContact CE1-CZ2 4.29Å; Y154-W172 AromaticContact CE1-NE1 3.93Å; Y154-W172 AromaticContact CE2-CZ2 3.75Å; Y154-W172 HydrophobicContact CE2-CZ2 3.75Å; Y154-W172 AromaticContact CE2-NE1 3.94Å; Y154-W172 AromaticContact CZ-CE2 3.87Å; Y154-W172 AromaticContact CZ-CZ2 3.83Å; Y154-W172 AromaticContact CZ-NE1 3.3Å; Y154-W172 VanDerWaalsContact CZ-NE1 3.3Å; Y154-W172 PolarHBondContact OH-NE1 2.81Å; V165-W172 HydrophobicContact CG1-CB 3.85Å; V165-W172 HydrophobicContact CG1-CD2 4.31Å; V165-W172 HydrophobicContact CG1-CG 3.88Å; V165-W172 HydrophobicContact CG2-CG 4.35Å; P166-W172 HydrophobicContact CB-CH2 4.45Å; P166-W172 HydrophobicContact CG-CH2 3.61Å; P166-W172 HydrophobicContact CG-CZ2 3.65Å; P166-W172 HydrophobicContact CG-CZ3 4.21Å; W169-W172 HydrophobicContact CB-CE3 3.8Å; W169-W172 HydrophobicContact CB-CZ3 4.48Å; W169-W172 AromaticContact CD1-CE3 3.42Å; W169-W172 VanDerWaalsContact CD1-CE3 3.42Å; W169-W172 AromaticContact CD1-CZ3 3.28Å; W169-W172 HydrophobicContact CD2-CE3 4.02Å; W169-W172 AromaticContact CD2-CZ3 3.94Å; W169-W172 HydrophobicContact CD2-CZ3 3.94Å; W169-W172 AromaticContact CE2-CZ3 3.69Å; W169-W172 AromaticContact CG-CE3 3.46Å; W169-W172 HydrophobicContact CG-CE3 3.46Å; W169-W172 VanDerWaalsContact CG-CE3 3.46Å; W169-W172 AromaticContact CG-CZ3 3.67Å; W169-W172 HydrophobicContact CG-CZ3 3.67Å; W169-W172 HydrophobicContact CZ2-CZ3 4.43Å; W169-W172 AromaticContact NE1-CE3 3.94Å; W169-W172 AromaticContact NE1-CZ3 3.31Å; W169-W172 VanDerWaalsContact NE1-CZ3 3.31Å; W172-A174 HydrophobicContact CD2-CB 4.12Å; W172-A174 HydrophobicContact CH2-CB 4.09Å; W172-A174 HydrophobicContact CZ2-CB 3.27Å; W172-A174 VanDerWaalsContact NE1-CB 3.32Å; W172-S187 VanDerWaalsContact O-O 3.05Å; W172-I188 CarbonylContact O-C 3.53Å; W172-I188 WeakPolarHBondContact O-CA 3.23Å; W172-N189 PolarHBondContact N-OD1 2.95Å; W172-N189 PolarHBondContact O-N 2.77Å
173	Y	98.7	Very high	97.5	Very high	45 Å²	45	43.8 Å²	43.8	18%	0.176	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	69.3	177.9	-66.1	-95.9	0	0	0	109.9	F145 F146 A147 G148 S187 I188 V211	F145-Y173 HydrophobicContact CD2-CD2 4.44Å; F145-Y173 HydrophobicContact CD2-CE2 4.48Å; F145-Y173 AromaticContact CE2-CD2 3.73Å; F145-Y173 HydrophobicContact CE2-CD2 3.73Å; F145-Y173 AromaticContact CE2-CE2 3.84Å; F145-Y173 HydrophobicContact CE2-CE2 3.84Å; F145-Y173 HydrophobicContact CZ-CD2 4.28Å; F146-Y173 PolarHBondContact O-N 3.44Å; A147-Y173 CarbonylContact C-O 3.56Å; A147-Y173 VanDerWaalsContact CA-O 3.27Å; A147-Y173 WeakPolarHBondContact CA-O 3.29Å; G148-Y173 PolarHBondContact N-O 3.2Å; Y173-S187 CarbonylContact C-O 3.44Å; Y173-S187 VanDerWaalsContact CA-O 3.27Å; Y173-S187 WeakPolarHBondContact CA-O 3.11Å; Y173-I188 HydrophobicContact CD1-CB 4.43Å; Y173-I188 HydrophobicContact CD1-CD1 4.22Å; Y173-I188 HydrophobicContact CD1-CG1 3.9Å; Y173-I188 HydrophobicContact CD1-CG2 4.04Å; Y173-I188 HydrophobicContact CE1-CB 4.42Å; Y173-I188 HydrophobicContact CE1-CD1 4.23Å; Y173-I188 HydrophobicContact CE1-CG1 4.18Å; Y173-I188 HydrophobicContact CE1-CG2 3.58Å; Y173-V211 HydrophobicContact CD1-CB 4.14Å; Y173-V211 HydrophobicContact CD1-CG1 4Å; Y173-V211 HydrophobicContact CD1-CG2 4.2Å; Y173-V211 HydrophobicContact CE1-CB 4.13Å; Y173-V211 HydrophobicContact CE1-CG1 3.91Å; Y173-V211 HydrophobicContact CG-CB 4.4Å; Y173-V211 HydrophobicContact CG-CG2 4.13Å
174	A	98.7	Very high	97.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	138.6	-171.6	0	0	0	0	0	113.5	F146 G148 Y154 W172 L186 S187	F146-A174 HydrophobicContact CD1-CB 4.06Å; F146-A174 HydrophobicContact CE1-CB 3.86Å; G148-A174 CarbonylContact O-C 3.55Å; G148-A174 WeakPolarHBondContact O-CA 3.27Å; Y154-A174 HydrophobicContact CD1-CB 3.88Å; Y154-A174 HydrophobicContact CE1-CB 3.45Å; Y154-A174 VanDerWaalsContact CE1-CB 3.45Å; W172-A174 HydrophobicContact CD2-CB 4.12Å; W172-A174 HydrophobicContact CH2-CB 4.09Å; W172-A174 HydrophobicContact CZ2-CB 3.27Å; W172-A174 VanDerWaalsContact NE1-CB 3.32Å; A174-L186 CarbonylContact O-C 3.6Å; A174-L186 VanDerWaalsContact O-CA 3.31Å; A174-L186 WeakPolarHBondContact O-CA 2.98Å; A174-S187 PolarHBondContact N-O 2.86Å; A174-S187 PolarHBondContact O-N 2.94Å
175	L	98.6	Very high	97.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	129.5	175.1	-179.4	64.6	0	0	0	110.9	G148 K149 Y154 K177 N178 K180 Y184 L186 L204	G148-L175 PolarHBondContact O-N 3Å; K149-L175 HydrophobicContact CB-CD2 4.48Å; Y154-L175 WeakPolarHBondContact CD1-O 3.49Å; L175-K177 PolarHBondContact O-N 2.89Å; L175-N178 WeakPolarHBondContact CD2-O 3.39Å; L175-K180 HydrophobicContact CD1-CB 4.49Å; L175-Y184 HydrophobicContact CD1-CD2 4.02Å; L175-Y184 HydrophobicContact CD1-CG 3.9Å; L175-L186 HydrophobicContact CB-CD2 4.23Å; L175-L186 HydrophobicContact CD1-CD2 4.1Å; L175-L204 HydrophobicContact CD1-CD2 4.1Å; L175-L204 HydrophobicContact CD2-CD2 3.93Å
176	E	98.2	Very high	97.6	Very high	44 Å²	44	34.3 Å²	34.3	21%	0.206	17%	0.168	C	C	.	.	S	Bend	trans	-63.6	120.4	170.1	-173.7	-179	-156.1	0	0	110.6	L162 T185	L162-E176 HydrophobicContact CD2-CB 3.83Å; L162-E176 HydrophobicContact CD2-CG 4.03Å; E176-T185 VanDerWaalsContact CB-O 3.31Å; E176-T185 WeakPolarHBondContact CB-O 3.5Å; E176-T185 PolarHBondContact N-O 2.83Å; E176-T185 WeakPolarHBondContact OE2-CB 3.39Å; E176-T185 PolarHBondContact OE2-OG1 3.34Å
177	K	96.3	Very high	97.6	Very high	92 Å²	92	34.2 Å²	34.2	40%	0.4	17%	0.167	S	C	.	.	S	Bend	trans	61	-124.7	177.8	-59.7	177.5	179.5	-170.7	0	114	N152 Y154 L175	N152-K177 CarbonylContact O-C 3.46Å; N152-K177 WeakPolarHBondContact O-CA 3.44Å; Y154-K177 WeakPolarHBondContact O-CA 3.44Å; Y154-K177 PolarHBondContact O-N 2.84Å; L175-K177 PolarHBondContact O-N 2.89Å
178	N	92.3	Very high	97.8	Very high	63 Å²	63	31.2 Å²	31.2	34%	0.337	15%	0.152	S	C	.	.	S	Bend	trans	-96.3	173.1	-169.6	-154.9	-5	0	0	0	112.5	K149 L175 K180	K149-N178 WeakPolarHBondContact CE-OD1 3.27Å; K149-N178 PolarHBondContact NZ-OD1 2.99Å; L175-N178 WeakPolarHBondContact CD2-O 3.39Å; N178-K180 PolarHBondContact O-N 3.27Å
179	S	95.7	Very high	97.8	Very high	11 Å²	11	34.7 Å²	34.7	8%	0.077	17%	0.168	C	C	.	.			trans	-51.5	128	-175.9	-59.5	0	0	0	0	113.8	D55 K149 H235	D55-S179 PolarHBondContact OD2-OG 3.08Å; K149-S179 WeakPolarHBondContact CD-OG 3.39Å; K149-S179 PolarHBondContact NZ-OG 3.21Å; S179-H235 WeakPolarHBondContact CB-ND1 3.49Å; S179-H235 PolarHBondContact OG-ND1 3.41Å
180	K	97.4	Very high	97.8	Very high	74 Å²	74	35 Å²	35	32%	0.322	17%	0.174	S	C	.	.			trans	-144.6	161.3	176.7	-68.3	-179.6	179.1	-176	0	109.6	L175 N178 N183 Y184 L204 P232	L175-K180 HydrophobicContact CD1-CB 4.49Å; N178-K180 PolarHBondContact O-N 3.27Å; K180-N183 PolarHBondContact NZ-O 2.95Å; K180-Y184 HydrophobicContact CB-CD1 4.44Å; K180-L204 WeakPolarHBondContact O-CD2 3.29Å; K180-P232 WeakPolarHBondContact O-CG 3.39Å
181	Y	98.1	Very high	97.9	Very high	3 Å²	3	41 Å²	41	1%	0.012	20%	0.195	C	C	.	.	S	Bend	trans	-119.3	-23.5	173.7	-64.3	-94.8	0	0	0	112.9	Y203 L204 A233 H235 P237 T239 T295	Y181-Y203 AromaticContact CD1-CE2 3.84Å; Y181-Y203 HydrophobicContact CD1-CE2 3.84Å; Y181-Y203 HydrophobicContact CG-CE2 4.4Å; Y181-L204 PolarHBondContact O-N 3.17Å; Y181-A233 HydrophobicContact CE1-CB 4.15Å; Y181-A233 WeakPolarHBondContact OH-CA 3.44Å; Y181-H235 WeakPolarHBondContact CE2-O 3.43Å; Y181-H235 PolarHBondContact OH-O 3.43Å; Y181-P237 HydrophobicContact CD2-CG 3.92Å; Y181-P237 HydrophobicContact CE2-CG 4.29Å; Y181-T239 VanDerWaalsContact CD1-O 3.29Å; Y181-T239 WeakPolarHBondContact CD1-O 3.41Å; Y181-T295 HydrophobicContact CE1-CG2 3.68Å
182	Y	98.3	Very high	97.8	Very high	42 Å²	42	40.3 Å²	40.3	17%	0.165	21%	0.205	C	C	.	.	S	Bend	trans	-146.3	172.3	177.3	-65.2	-71	0	0	0	109.2	Y184 Y199 D202 Y203 T239	Y182-Y184 VanDerWaalsContact C-CD1 3.48Å; Y182-Y184 VanDerWaalsContact C-N 3.34Å; Y182-Y184 PolarHBondContact O-N 2.92Å; Y182-Y199 WeakPolarHBondContact OH-CD2 3.24Å; Y182-D202 HydrophobicContact CD1-CB 4.11Å; Y182-Y203 AromaticContact CE1-CD2 3.96Å; Y182-Y203 HydrophobicContact CE1-CD2 3.96Å; Y182-Y203 HydrophobicContact CE1-CG 4.39Å; Y182-Y203 AromaticContact CE2-CD2 3.79Å; Y182-Y203 HydrophobicContact CE2-CD2 3.79Å; Y182-Y203 HydrophobicContact CE2-CE2 4.32Å; Y182-Y203 AromaticContact CZ-CD2 3.44Å; Y182-Y203 VanDerWaalsContact CZ-CD2 3.44Å; Y182-Y203 WeakPolarHBondContact OH-CD2 3.37Å; Y182-T239 HydrophobicContact CD2-CG2 4Å; Y182-T239 HydrophobicContact CE2-CG2 3.79Å
183	N	98.2	Very high	97.8	Very high	96 Å²	96	47.2 Å²	47.2	51%	0.513	23%	0.231	S	C	.	.	S	Bend	trans	51.7	51.8	174.7	-64.3	-42.4	0	0	0	112.5	K180 H195 G196	K180-N183 PolarHBondContact NZ-O 2.95Å; N183-H195 WeakPolarHBondContact CA-O 3.39Å; N183-G196 PolarHBondContact N-O 3.35Å
184	Y	98.3	Very high	97.8	Very high	3 Å²	3	53.6 Å²	53.6	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	165	-176.2	60.2	-99.6	0	0	0	111.9	L175 K180 Y182 L186 H195 D202 L204 V207	L175-Y184 HydrophobicContact CD1-CD2 4.02Å; L175-Y184 HydrophobicContact CD1-CG 3.9Å; K180-Y184 HydrophobicContact CB-CD1 4.44Å; Y182-Y184 VanDerWaalsContact C-CD1 3.48Å; Y182-Y184 VanDerWaalsContact C-N 3.34Å; Y182-Y184 PolarHBondContact O-N 2.92Å; Y184-L186 HydrophobicContact CD2-CD2 3.83Å; Y184-L186 HydrophobicContact CD2-CG 3.88Å; Y184-L186 HydrophobicContact CE2-CD1 4.01Å; Y184-L186 HydrophobicContact CE2-CD2 3.89Å; Y184-L186 HydrophobicContact CE2-CG 3.7Å; Y184-H195 HydrophobicContact CD1-CB 4.48Å; Y184-H195 HydrophobicContact CD2-CB 3.91Å; Y184-H195 HydrophobicContact CE1-CB 4.08Å; Y184-H195 HydrophobicContact CE2-CB 3.44Å; Y184-H195 VanDerWaalsContact CE2-CB 3.44Å; Y184-H195 AromaticContact CE2-CD2 3.49Å; Y184-H195 VanDerWaalsContact CE2-CD2 3.49Å; Y184-H195 WeakPolarHBondContact CE2-CD2 3.1Å; Y184-H195 AromaticContact CE2-CG 3.43Å; Y184-H195 VanDerWaalsContact CE2-CG 3.43Å; Y184-H195 HydrophobicContact CG-CB 4.39Å; Y184-H195 AromaticContact CZ-CG 3.7Å; Y184-H195 PolarHBondContact N-O 3.23Å; Y184-H195 PolarHBondContact O-N 2.96Å; Y184-D202 WeakPolarHBondContact CE1-O 3.47Å; Y184-D202 PolarHBondContact OH-O 3.4Å; Y184-L204 HydrophobicContact CD1-CB 4.27Å; Y184-L204 HydrophobicContact CD2-CD1 4.23Å; Y184-L204 HydrophobicContact CE1-CB 3.57Å; Y184-L204 HydrophobicContact CE1-CD1 4.09Å; Y184-L204 HydrophobicContact CE1-CG 4.29Å; Y184-L204 HydrophobicContact CE2-CD1 3.64Å; Y184-L204 WeakPolarHBondContact OH-CA 3.33Å; Y184-V207 WeakPolarHBondContact OH-CG2 3.39Å
185	T	98.5	Very high	97.8	Very high	17 Å²	17	54.3 Å²	54.3	10%	0.104	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137.2	169.8	-40.6	0	0	0	0	108.3	L162 E176 A192 R193 K194	L162-T185 HydrophobicContact CD1-CG2 3.57Å; E176-T185 VanDerWaalsContact CB-O 3.31Å; E176-T185 WeakPolarHBondContact CB-O 3.5Å; E176-T185 PolarHBondContact N-O 2.83Å; E176-T185 WeakPolarHBondContact OE2-CB 3.39Å; E176-T185 PolarHBondContact OE2-OG1 3.34Å; T185-A192 HydrophobicContact CG2-CB 3.91Å; T185-R193 CarbonylContact C-O 3.55Å; T185-R193 WeakPolarHBondContact CA-O 3.39Å; T185-R193 WeakPolarHBondContact CG2-O 3.39Å; T185-K194 HydrophobicContact CG2-CG 4.3Å
186	L	98.6	Very high	97.8	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	140.5	166.7	-60.2	-178.5	0	0	0	109.5	A174 L175 Y184 I188 A192 R193 L204 V207	A174-L186 CarbonylContact O-C 3.6Å; A174-L186 VanDerWaalsContact O-CA 3.31Å; A174-L186 WeakPolarHBondContact O-CA 2.98Å; L175-L186 HydrophobicContact CB-CD2 4.23Å; L175-L186 HydrophobicContact CD1-CD2 4.1Å; Y184-L186 HydrophobicContact CD2-CD2 3.83Å; Y184-L186 HydrophobicContact CD2-CG 3.88Å; Y184-L186 HydrophobicContact CE2-CD1 4.01Å; Y184-L186 HydrophobicContact CE2-CD2 3.89Å; Y184-L186 HydrophobicContact CE2-CG 3.7Å; L186-I188 HydrophobicContact CB-CG1 4.2Å; L186-A192 CarbonylContact O-C 3.59Å; L186-A192 WeakPolarHBondContact O-CA 3.24Å; L186-R193 PolarHBondContact N-O 3.41Å; L186-R193 PolarHBondContact O-N 3.01Å; L186-L204 HydrophobicContact CD2-CD1 3.95Å; L186-V207 HydrophobicContact CD1-CG1 4.08Å
187	S	98.7	Very high	97.7	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	116.2	156.1	177.9	0	0	0	0	108.3	Y154 L162 W172 Y173 A174 G190	Y154-S187 WeakPolarHBondContact OH-CB 3.11Å; Y154-S187 PolarHBondContact OH-OG 2.91Å; L162-S187 WeakPolarHBondContact O-CB 3.38Å; L162-S187 PolarHBondContact O-OG 3.02Å; W172-S187 VanDerWaalsContact O-O 3.05Å; Y173-S187 CarbonylContact C-O 3.44Å; Y173-S187 VanDerWaalsContact CA-O 3.27Å; Y173-S187 WeakPolarHBondContact CA-O 3.11Å; A174-S187 PolarHBondContact N-O 2.86Å; A174-S187 PolarHBondContact O-N 2.94Å; S187-G190 WeakPolarHBondContact OG-CA 3.43Å; S187-G190 PolarHBondContact OG-N 2.87Å
188	I	98.4	Very high	97.8	Very high	34 Å²	34	60.6 Å²	60.6	17%	0.174	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	98.6	173	-57.7	-175.1	0	0	0	107.5	W172 Y173 L186 G190 K191 R193	W172-I188 CarbonylContact O-C 3.53Å; W172-I188 WeakPolarHBondContact O-CA 3.23Å; Y173-I188 HydrophobicContact CD1-CB 4.43Å; Y173-I188 HydrophobicContact CD1-CD1 4.22Å; Y173-I188 HydrophobicContact CD1-CG1 3.9Å; Y173-I188 HydrophobicContact CD1-CG2 4.04Å; Y173-I188 HydrophobicContact CE1-CB 4.42Å; Y173-I188 HydrophobicContact CE1-CD1 4.23Å; Y173-I188 HydrophobicContact CE1-CG1 4.18Å; Y173-I188 HydrophobicContact CE1-CG2 3.58Å; L186-I188 HydrophobicContact CB-CG1 4.2Å; I188-G190 PolarHBondContact O-N 3.26Å; I188-K191 PolarHBondContact N-O 3.3Å; I188-K191 WeakPolarHBondContact O-CB 3.39Å; I188-K191 PolarHBondContact O-N 2.99Å; I188-R193 HydrophobicContact CD1-CB 3.74Å; I188-R193 HydrophobicContact CD1-CG 4.19Å; I188-R193 HydrophobicContact CG1-CB 4.24Å
189	N	98.1	Very high	98	Very high	78 Å²	78	61 Å²	61	42%	0.417	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	45.2	-176	-58.4	-43.1	0	0	0	112.5	W172	W172-N189 PolarHBondContact N-OD1 2.95Å; W172-N189 PolarHBondContact O-N 2.77Å
190	G	98.2	Very high	98	Very high	14 Å²	14	64.7 Å²	64.7	14%	0.144	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	-1	-179.7	0	0	0	0	0	114.6	L162 E163 S187 I188	L162-G190 CarbonylContact O-C 3.51Å; L162-G190 VanDerWaalsContact O-CA 3.3Å; L162-G190 WeakPolarHBondContact O-CA 3.42Å; E163-G190 WeakPolarHBondContact CA-O 3.34Å; S187-G190 WeakPolarHBondContact OG-CA 3.43Å; S187-G190 PolarHBondContact OG-N 2.87Å; I188-G190 PolarHBondContact O-N 3.26Å
191	K	98.5	Very high	98	Very high	165 Å²	165	65 Å²	65	72%	0.717	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	124.9	179.5	-62.8	-176.7	-179.9	179.9	0	111.2	I188 R193	I188-K191 PolarHBondContact N-O 3.3Å; I188-K191 WeakPolarHBondContact O-CB 3.39Å; I188-K191 PolarHBondContact O-N 2.99Å; K191-R193 PolarHBondContact O-N 2.89Å
192	A	98.3	Very high	98	Very high	63 Å²	63	65.9 Å²	65.9	52%	0.521	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	129.4	176.8	0	0	0	0	0	111.9	L162 T185 L186	L162-A192 HydrophobicContact CB-CB 4.45Å; L162-A192 HydrophobicContact CD1-CB 3.54Å; T185-A192 HydrophobicContact CG2-CB 3.91Å; L186-A192 CarbonylContact O-C 3.59Å; L186-A192 WeakPolarHBondContact O-CA 3.24Å
193	R	98.3	Very high	98	Very high	145 Å²	145	63.9 Å²	63.9	55%	0.547	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	120.5	169.3	-176.8	178.9	178.9	173.2	-4	109.8	T185 L186 I188 K191	T185-R193 CarbonylContact C-O 3.55Å; T185-R193 WeakPolarHBondContact CA-O 3.39Å; T185-R193 WeakPolarHBondContact CG2-O 3.39Å; L186-R193 PolarHBondContact N-O 3.41Å; L186-R193 PolarHBondContact O-N 3.01Å; I188-R193 HydrophobicContact CD1-CB 3.74Å; I188-R193 HydrophobicContact CD1-CG 4.19Å; I188-R193 HydrophobicContact CG1-CB 4.24Å; K191-R193 PolarHBondContact O-N 2.89Å
194	K	98.3	Very high	98	Very high	179 Å²	179	59.3 Å²	59.3	78%	0.778	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	141.5	176.2	-64.9	-174.1	178.8	-176.6	0	110.8	T185	T185-K194 HydrophobicContact CG2-CG 4.3Å
195	H	98.3	Very high	98	Very high	16 Å²	16	59.2 Å²	59.2	7%	0.074	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	141.6	173	-75.2	-98.4	0	0	0	109.3	N183 Y184 D202	N183-H195 WeakPolarHBondContact CA-O 3.39Å; Y184-H195 HydrophobicContact CD1-CB 4.48Å; Y184-H195 HydrophobicContact CD2-CB 3.91Å; Y184-H195 HydrophobicContact CE1-CB 4.08Å; Y184-H195 HydrophobicContact CE2-CB 3.44Å; Y184-H195 VanDerWaalsContact CE2-CB 3.44Å; Y184-H195 AromaticContact CE2-CD2 3.49Å; Y184-H195 VanDerWaalsContact CE2-CD2 3.49Å; Y184-H195 WeakPolarHBondContact CE2-CD2 3.1Å; Y184-H195 AromaticContact CE2-CG 3.43Å; Y184-H195 VanDerWaalsContact CE2-CG 3.43Å; Y184-H195 HydrophobicContact CG-CB 4.39Å; Y184-H195 AromaticContact CZ-CG 3.7Å; Y184-H195 PolarHBondContact N-O 3.23Å; Y184-H195 PolarHBondContact O-N 2.96Å; H195-D202 WeakPolarHBondContact CA-OD1 3.42Å; H195-D202 HydrophobicContact CB-CB 4.35Å; H195-D202 WeakPolarHBondContact CB-OD1 3.33Å; H195-D202 IonicContact CG-OD1 3.94Å; H195-D202 IonicContact ND1-OD1 2.64Å; H195-D202 PolarHBondContact ND1-OD1 2.81Å
196	G	98.2	Very high	98	Very high	28 Å²	28	59.2 Å²	59.2	29%	0.289	31%	0.307	S	S	.	.			trans	-92.5	-136.9	-178	0	0	0	0	0	112.9	N183 D202	N183-G196 PolarHBondContact N-O 3.35Å; G196-D202 VanDerWaalsContact C-OD2 3.28Å; G196-D202 WeakPolarHBondContact CA-OD2 3.45Å; G196-D202 PolarHBondContact N-OD1 3.32Å; G196-D202 PolarHBondContact N-OD2 2.83Å; G196-D202 WeakPolarHBondContact O-CB 3.49Å
197	E	96.8	Very high	98	Very high	149 Å²	149	59.8 Å²	59.8	70%	0.696	31%	0.31	S	S	*	.	S	Bend	trans	-123.2	8.7	-176.7	64.4	-172.8	160.7	0	0	113.6	Y199 D202	E197-Y199 PolarHBondContact O-N 2.87Å; E197-D202 PolarHBondContact N-OD2 3.02Å
198	N	97.7	Very high	98	Very high	91 Å²	91	59.8 Å²	59.8	49%	0.487	31%	0.31	S	S	.	.			trans	-79.2	110	177.9	-179.2	-6.7	0	0	0	110.3	S200 V201 D202	N198-S200 PolarHBondContact O-N 2.94Å; N198-S200 PolarHBondContact OD1-N 2.89Å; N198-S200 PolarHBondContact OD1-OG 3.35Å; N198-S200 VanDerWaalsContact OD1-OG 3.05Å; N198-V201 HydrophobicContact CB-CG2 3.98Å; N198-V201 PolarHBondContact O-N 2.81Å; N198-D202 PolarHBondContact N-OD2 2.9Å; N198-D202 VanDerWaalsContact O-CB 3.29Å; N198-D202 WeakPolarHBondContact O-CB 3.3Å; N198-D202 PolarHBondContact O-N 2.86Å
199	Y	96.7	Very high	98.1	Very high	72 Å²	72	58.3 Å²	58.3	28%	0.282	30%	0.303	S	S	.	.	H	α-helix	trans	-42.9	-46	-178.8	173.7	-115.2	0	0	0	114	Y182 E197 V201 Y203 D206 A241 P242 Q243	Y182-Y199 WeakPolarHBondContact OH-CD2 3.24Å; E197-Y199 PolarHBondContact O-N 2.87Å; Y199-V201 PolarHBondContact O-N 3.2Å; Y199-V201 VanDerWaalsContact O-N 3.08Å; Y199-Y203 HydrophobicContact CD2-CG 4.01Å; Y199-Y203 AromaticContact CE2-CD1 3.95Å; Y199-Y203 HydrophobicContact CE2-CD1 3.95Å; Y199-Y203 AromaticContact CE2-CG 3.91Å; Y199-Y203 HydrophobicContact CE2-CG 3.91Å; Y199-D206 VanDerWaalsContact CE2-OD2 3.31Å; Y199-D206 WeakPolarHBondContact CE2-OD2 3.27Å; Y199-D206 PolarHBondContact OH-OD2 2.83Å; Y199-A241 HydrophobicContact CD2-CB 4.45Å; Y199-A241 HydrophobicContact CE2-CB 3.69Å; Y199-P242 HydrophobicContact CD1-CG 4.13Å; Y199-P242 HydrophobicContact CD2-CG 3.96Å; Y199-P242 HydrophobicContact CG-CG 3.72Å; Y199-Q243 PolarHBondContact OH-NE2 3.46Å; Y199-Q243 PolarHBondContact OH-OE1 3.05Å
200	S	96.2	Very high	98.1	Very high	87 Å²	87	58.2 Å²	58.2	61%	0.608	30%	0.303	S	S	*	.	H	α-helix	trans	-64.6	-18.6	-172.6	61.9	0	0	0	0	114.8	N198	N198-S200 PolarHBondContact O-N 2.94Å; N198-S200 PolarHBondContact OD1-N 2.89Å; N198-S200 PolarHBondContact OD1-OG 3.35Å; N198-S200 VanDerWaalsContact OD1-OG 3.05Å
201	V	97.3	Very high	98.1	Very high	81 Å²	81	58.5 Å²	58.5	49%	0.491	30%	0.302	S	S	.	.	H	α-helix	trans	-135	-15	-174.8	-64.7	0	0	0	0	114.3	N198 Y199 V207	N198-V201 HydrophobicContact CB-CG2 3.98Å; N198-V201 PolarHBondContact O-N 2.81Å; Y199-V201 PolarHBondContact O-N 3.2Å; Y199-V201 VanDerWaalsContact O-N 3.08Å; V201-V207 VanDerWaalsContact O-CG2 3.22Å; V201-V207 WeakPolarHBondContact O-CG2 3.35Å
202	D	98.2	Very high	98.1	Very high	21 Å²	21	50.7 Å²	50.7	11%	0.112	27%	0.268	C	S	.	.	H	α-helix	trans	-120	-4.8	-170.6	-63.4	-48.8	0	0	0	114.4	Y182 Y184 H195 G196 E197 N198 L204	Y182-D202 HydrophobicContact CD1-CB 4.11Å; Y184-D202 WeakPolarHBondContact CE1-O 3.47Å; Y184-D202 PolarHBondContact OH-O 3.4Å; H195-D202 WeakPolarHBondContact CA-OD1 3.42Å; H195-D202 HydrophobicContact CB-CB 4.35Å; H195-D202 WeakPolarHBondContact CB-OD1 3.33Å; H195-D202 IonicContact CG-OD1 3.94Å; H195-D202 IonicContact ND1-OD1 2.64Å; H195-D202 PolarHBondContact ND1-OD1 2.81Å; G196-D202 VanDerWaalsContact C-OD2 3.28Å; G196-D202 WeakPolarHBondContact CA-OD2 3.45Å; G196-D202 PolarHBondContact N-OD1 3.32Å; G196-D202 PolarHBondContact N-OD2 2.83Å; G196-D202 WeakPolarHBondContact O-CB 3.49Å; E197-D202 PolarHBondContact N-OD2 3.02Å; N198-D202 PolarHBondContact N-OD2 2.9Å; N198-D202 VanDerWaalsContact O-CB 3.29Å; N198-D202 WeakPolarHBondContact O-CB 3.3Å; N198-D202 PolarHBondContact O-N 2.86Å; D202-L204 PolarHBondContact O-N 3.23Å; D202-L204 VanDerWaalsContact O-N 3.15Å
203	Y	98.5	Very high	98.1	Very high	1 Å²	1	48.6 Å²	48.6	0%	0.004	25%	0.248	C	C	.	.			trans	-72.5	113.3	176.5	-174.4	-112.9	0	0	0	110.5	Y181 Y182 Y199 T205 D206 V207 T239 A241 S298	Y181-Y203 AromaticContact CD1-CE2 3.84Å; Y181-Y203 HydrophobicContact CD1-CE2 3.84Å; Y181-Y203 HydrophobicContact CG-CE2 4.4Å; Y182-Y203 AromaticContact CE1-CD2 3.96Å; Y182-Y203 HydrophobicContact CE1-CD2 3.96Å; Y182-Y203 HydrophobicContact CE1-CG 4.39Å; Y182-Y203 AromaticContact CE2-CD2 3.79Å; Y182-Y203 HydrophobicContact CE2-CD2 3.79Å; Y182-Y203 HydrophobicContact CE2-CE2 4.32Å; Y182-Y203 AromaticContact CZ-CD2 3.44Å; Y182-Y203 VanDerWaalsContact CZ-CD2 3.44Å; Y182-Y203 WeakPolarHBondContact OH-CD2 3.37Å; Y199-Y203 HydrophobicContact CD2-CG 4.01Å; Y199-Y203 AromaticContact CE2-CD1 3.95Å; Y199-Y203 HydrophobicContact CE2-CD1 3.95Å; Y199-Y203 AromaticContact CE2-CG 3.91Å; Y199-Y203 HydrophobicContact CE2-CG 3.91Å; Y203-T205 PolarHBondContact O-N 3.22Å; Y203-D206 HydrophobicContact CD1-CB 4.18Å; Y203-D206 PolarHBondContact O-N 2.88Å; Y203-V207 PolarHBondContact O-N 3.15Å; Y203-T239 WeakPolarHBondContact CE2-O 3.49Å; Y203-T239 PolarHBondContact OH-O 3.46Å; Y203-A241 HydrophobicContact CD1-CB 4.14Å; Y203-A241 HydrophobicContact CE1-CB 3.72Å; Y203-A241 HydrophobicContact CE2-CB 4.36Å; Y203-A241 PolarHBondContact OH-N 2.82Å; Y203-S298 WeakPolarHBondContact CE1-OG 3.29Å; Y203-S298 PolarHBondContact OH-OG 3.4Å
204	L	98.7	Very high	98.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-53.3	-48.2	-165.5	-178.6	60.4	0	0	0	113.2	L175 K180 Y181 Y184 L186 D202 D206 V207 L208 P232	L175-L204 HydrophobicContact CD1-CD2 4.1Å; L175-L204 HydrophobicContact CD2-CD2 3.93Å; K180-L204 WeakPolarHBondContact O-CD2 3.29Å; Y181-L204 PolarHBondContact O-N 3.17Å; Y184-L204 HydrophobicContact CD1-CB 4.27Å; Y184-L204 HydrophobicContact CD2-CD1 4.23Å; Y184-L204 HydrophobicContact CE1-CB 3.57Å; Y184-L204 HydrophobicContact CE1-CD1 4.09Å; Y184-L204 HydrophobicContact CE1-CG 4.29Å; Y184-L204 HydrophobicContact CE2-CD1 3.64Å; Y184-L204 WeakPolarHBondContact OH-CA 3.33Å; L186-L204 HydrophobicContact CD2-CD1 3.95Å; D202-L204 PolarHBondContact O-N 3.23Å; D202-L204 VanDerWaalsContact O-N 3.15Å; L204-D206 VanDerWaalsContact C-N 3.25Å; L204-D206 PolarHBondContact O-N 2.81Å; L204-V207 WeakPolarHBondContact O-CB 3.41Å; L204-V207 PolarHBondContact O-N 3.17Å; L204-V207 VanDerWaalsContact O-N 3.09Å; L204-L208 HydrophobicContact CD1-CD1 4.29Å; L204-L208 HydrophobicContact CD1-CD2 3.94Å; L204-L208 HydrophobicContact CD1-CG 3.88Å; L204-L208 HydrophobicContact CG-CD1 4.06Å; L204-L208 HydrophobicContact CG-CG 4.07Å; L204-L208 VanDerWaalsContact O-CG 3.28Å; L204-L208 WeakPolarHBondContact O-CG 3.4Å; L204-L208 PolarHBondContact O-N 3.27Å; L204-P232 HydrophobicContact CD2-CG 3.58Å
205	T	98.6	Very high	98.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.6	-37.6	-178	-51.6	0	0	0	0	112.1	Y203 A209 T231 V299 L302	Y203-T205 PolarHBondContact O-N 3.22Å; T205-A209 WeakPolarHBondContact O-CB 3.21Å; T205-A209 PolarHBondContact O-N 2.79Å; T205-T231 HydrophobicContact CG2-CG2 4.36Å; T205-V299 HydrophobicContact CG2-CG2 4.3Å; T205-L302 HydrophobicContact CG2-CD1 4.25Å
206	D	98.6	Very high	98.1	Very high	17 Å²	17	36.6 Å²	36.6	9%	0.091	20%	0.203	C	C	.	.	H	α-helix	trans	-72.2	-38.3	176.6	-72.8	-20.2	0	0	0	111.3	Y199 Y203 L204 A209 N210	Y199-D206 VanDerWaalsContact CE2-OD2 3.31Å; Y199-D206 WeakPolarHBondContact CE2-OD2 3.27Å; Y199-D206 PolarHBondContact OH-OD2 2.83Å; Y203-D206 HydrophobicContact CD1-CB 4.18Å; Y203-D206 PolarHBondContact O-N 2.88Å; L204-D206 VanDerWaalsContact C-N 3.25Å; L204-D206 PolarHBondContact O-N 2.81Å; D206-A209 WeakPolarHBondContact O-CB 3.19Å; D206-A209 PolarHBondContact O-N 3.13Å; D206-N210 WeakPolarHBondContact O-CB 3.49Å; D206-N210 PolarHBondContact O-N 3.48Å; D206-N210 PolarHBondContact O-ND2 3.04Å
207	V	98.7	Very high	98	Very high	14 Å²	14	38.9 Å²	38.9	9%	0.085	21%	0.209	C	C	.	.	H	α-helix	trans	-60.3	-46.6	172.8	173.9	0	0	0	0	110.9	Y184 L186 V201 Y203 L204 A209 N210 V211	Y184-V207 WeakPolarHBondContact OH-CG2 3.39Å; L186-V207 HydrophobicContact CD1-CG1 4.08Å; V201-V207 VanDerWaalsContact O-CG2 3.22Å; V201-V207 WeakPolarHBondContact O-CG2 3.35Å; Y203-V207 PolarHBondContact O-N 3.15Å; L204-V207 WeakPolarHBondContact O-CB 3.41Å; L204-V207 PolarHBondContact O-N 3.17Å; L204-V207 VanDerWaalsContact O-N 3.09Å; V207-A209 VanDerWaalsContact C-N 3.33Å; V207-A209 PolarHBondContact O-N 3.01Å; V207-N210 PolarHBondContact O-N 2.71Å; V207-V211 WeakPolarHBondContact O-CG2 3.47Å; V207-V211 PolarHBondContact O-N 2.76Å
208	L	98.8	Very high	98	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.5	-40.6	177.4	-64.1	-177.7	0	0	0	111.8	A147 L204 V211 S212 T231 L302	A147-L208 HydrophobicContact CB-CD2 3.91Å; L204-L208 HydrophobicContact CD1-CD1 4.29Å; L204-L208 HydrophobicContact CD1-CD2 3.94Å; L204-L208 HydrophobicContact CD1-CG 3.88Å; L204-L208 HydrophobicContact CG-CD1 4.06Å; L204-L208 HydrophobicContact CG-CG 4.07Å; L204-L208 VanDerWaalsContact O-CG 3.28Å; L204-L208 WeakPolarHBondContact O-CG 3.4Å; L204-L208 PolarHBondContact O-N 3.27Å; L208-V211 WeakPolarHBondContact O-CG2 3.33Å; L208-S212 VanDerWaalsContact O-CB 3.24Å; L208-S212 WeakPolarHBondContact O-CB 3.24Å; L208-S212 PolarHBondContact O-N 2.83Å; L208-S212 VanDerWaalsContact O-N 3.16Å; L208-S212 PolarHBondContact O-OG 3.48Å; L208-T231 HydrophobicContact CD1-CG2 4.26Å; L208-L302 HydrophobicContact CB-CD1 4.43Å
209	A	98.8	Very high	97.8	Very high	3 Å²	3	36.8 Å²	36.8	3%	0.025	19%	0.189	C	C	.	.	H	α-helix	trans	-60.4	-50	173.7	0	0	0	0	0	110.9	T205 D206 V207 S212 L213 L302	T205-A209 WeakPolarHBondContact O-CB 3.21Å; T205-A209 PolarHBondContact O-N 2.79Å; D206-A209 WeakPolarHBondContact O-CB 3.19Å; D206-A209 PolarHBondContact O-N 3.13Å; V207-A209 VanDerWaalsContact C-N 3.33Å; V207-A209 PolarHBondContact O-N 3.01Å; A209-S212 WeakPolarHBondContact O-CB 3.49Å; A209-S212 PolarHBondContact O-N 2.78Å; A209-L213 VanDerWaalsContact O-CG 3.29Å; A209-L213 WeakPolarHBondContact O-CG 3.26Å; A209-L213 PolarHBondContact O-N 3.23Å; A209-L302 HydrophobicContact CB-CB 4.06Å; A209-L302 HydrophobicContact CB-CD1 3.82Å; A209-L302 HydrophobicContact CB-CG 3.65Å
210	N	98.6	Very high	97.7	Very high	77 Å²	77	35.1 Å²	35.1	41%	0.412	19%	0.188	S	C	.	.	H	α-helix	trans	-62.4	-48.7	-177	-67.4	-18.7	0	0	0	112.1	D206 V207 S212 L213 D214	D206-N210 WeakPolarHBondContact O-CB 3.49Å; D206-N210 PolarHBondContact O-N 3.48Å; D206-N210 PolarHBondContact O-ND2 3.04Å; V207-N210 PolarHBondContact O-N 2.71Å; N210-S212 PolarHBondContact O-N 3.36Å; N210-L213 WeakPolarHBondContact O-CB 3.48Å; N210-L213 PolarHBondContact O-N 3.36Å; N210-L213 VanDerWaalsContact O-N 3.12Å; N210-D214 VanDerWaalsContact O-CG 3.28Å; N210-D214 PolarHBondContact O-N 3.4Å
211	V	98.5	Very high	97.4	Very high	20 Å²	20	36 Å²	36	12%	0.121	19%	0.186	C	C	.	.	H	α-helix	trans	-66	-26.8	179.3	-60.6	0	0	0	0	112.9	F145 A147 Y173 V207 L208 F215	F145-V211 HydrophobicContact CZ-CG2 4.17Å; A147-V211 HydrophobicContact CB-CG2 4.15Å; Y173-V211 HydrophobicContact CD1-CB 4.14Å; Y173-V211 HydrophobicContact CD1-CG1 4Å; Y173-V211 HydrophobicContact CD1-CG2 4.2Å; Y173-V211 HydrophobicContact CE1-CB 4.13Å; Y173-V211 HydrophobicContact CE1-CG1 3.91Å; Y173-V211 HydrophobicContact CG-CB 4.4Å; Y173-V211 HydrophobicContact CG-CG2 4.13Å; V207-V211 WeakPolarHBondContact O-CG2 3.47Å; V207-V211 PolarHBondContact O-N 2.76Å; L208-V211 WeakPolarHBondContact O-CG2 3.33Å; V211-F215 PolarHBondContact O-N 3.36Å
212	S	98.8	Very high	97	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.007	20%	0.203	C	C	.	.	H	α-helix	trans	-71.6	-40.6	173.9	-63.9	0	0	0	0	111.6	F145 L208 A209 N210 F215 L216 M227 I229	F145-S212 WeakPolarHBondContact CE1-OG 3.4Å; F145-S212 WeakPolarHBondContact CZ-OG 3.3Å; L208-S212 VanDerWaalsContact O-CB 3.24Å; L208-S212 WeakPolarHBondContact O-CB 3.24Å; L208-S212 PolarHBondContact O-N 2.83Å; L208-S212 VanDerWaalsContact O-N 3.16Å; L208-S212 PolarHBondContact O-OG 3.48Å; A209-S212 WeakPolarHBondContact O-CB 3.49Å; A209-S212 PolarHBondContact O-N 2.78Å; N210-S212 PolarHBondContact O-N 3.36Å; S212-F215 PolarHBondContact O-N 2.98Å; S212-L216 PolarHBondContact O-N 3.08Å; S212-L216 VanDerWaalsContact O-N 3.17Å; S212-M227 WeakPolarHBondContact O-CE 3.41Å; S212-I229 WeakPolarHBondContact OG-CD1 3.18Å
213	L	98.7	Very high	96.8	Very high	19 Å²	19	44.7 Å²	44.7	10%	0.099	22%	0.218	C	C	.	.	H	α-helix	trans	-66.5	-42.3	173.6	-66.8	175.4	0	0	0	111.5	A209 N210 F215 L216 D217 K305 R309	A209-L213 VanDerWaalsContact O-CG 3.29Å; A209-L213 WeakPolarHBondContact O-CG 3.26Å; A209-L213 PolarHBondContact O-N 3.23Å; N210-L213 WeakPolarHBondContact O-CB 3.48Å; N210-L213 PolarHBondContact O-N 3.36Å; N210-L213 VanDerWaalsContact O-N 3.12Å; L213-F215 VanDerWaalsContact C-N 3.32Å; L213-F215 PolarHBondContact O-N 3.22Å; L213-L216 WeakPolarHBondContact O-CB 3.47Å; L213-L216 PolarHBondContact O-N 3.19Å; L213-L216 VanDerWaalsContact O-N 3.1Å; L213-D217 PolarHBondContact O-N 3.46Å; L213-D217 VanDerWaalsContact O-N 3.1Å; L213-K305 HydrophobicContact CD1-CB 4.18Å; L213-K305 HydrophobicContact CD2-CB 4.5Å; L213-R309 HydrophobicContact CD2-CB 3.53Å; L213-R309 HydrophobicContact CD2-CG 3.85Å; L213-R309 PolarHBondContact O-NH1 3.44Å
214	D	98.2	Very high	96.8	Very high	75 Å²	75	45.3 Å²	45.3	40%	0.401	22%	0.223	S	C	.	.	H	α-helix	trans	-59.2	-43.7	175	-66.9	-16.7	0	0	0	110.8	N210 L216 D217 Y218	N210-D214 VanDerWaalsContact O-CG 3.28Å; N210-D214 PolarHBondContact O-N 3.4Å; D214-L216 VanDerWaalsContact C-N 3.32Å; D214-L216 PolarHBondContact O-N 3.47Å; D214-D217 PolarHBondContact O-N 2.85Å; D214-D217 VanDerWaalsContact O-N 3.14Å; D214-Y218 HydrophobicContact CB-CD2 4.32Å; D214-Y218 HydrophobicContact CB-CE2 4.42Å; D214-Y218 WeakPolarHBondContact O-CD2 3.36Å; D214-Y218 PolarHBondContact O-N 3.4Å
215	F	98.3	Very high	96.7	Very high	10 Å²	10	45.3 Å²	45.3	4%	0.044	22%	0.223	C	C	.	.	H	α-helix	trans	-58.3	-43.3	174	169.5	-100.6	0	0	0	112.1	Q143 F145 Y171 V211 S212 L213 D217 Y218 K219 F225 M227	Q143-F215 HydrophobicContact CB-CZ 4.3Å; F145-F215 HydrophobicContact CB-CD1 3.97Å; F145-F215 HydrophobicContact CB-CD2 4.1Å; F145-F215 HydrophobicContact CB-CE1 3.88Å; F145-F215 HydrophobicContact CB-CE2 4.03Å; F145-F215 HydrophobicContact CB-CG 4.06Å; F145-F215 HydrophobicContact CB-CZ 3.91Å; F145-F215 HydrophobicContact CD2-CB 3.54Å; F145-F215 HydrophobicContact CD2-CD1 4.06Å; F145-F215 AromaticContact CD2-CD2 3.77Å; F145-F215 HydrophobicContact CD2-CD2 3.77Å; F145-F215 AromaticContact CD2-CG 3.49Å; F145-F215 HydrophobicContact CD2-CG 3.49Å; F145-F215 VanDerWaalsContact CD2-CG 3.49Å; F145-F215 HydrophobicContact CE2-CB 3.64Å; F145-F215 HydrophobicContact CE2-CG 4.13Å; F145-F215 HydrophobicContact CG-CB 4.28Å; F145-F215 AromaticContact CG-CD1 3.97Å; F145-F215 HydrophobicContact CG-CD1 3.97Å; F145-F215 HydrophobicContact CG-CD2 4.25Å; F145-F215 HydrophobicContact CG-CE1 4.39Å; F145-F215 AromaticContact CG-CG 3.88Å; F145-F215 HydrophobicContact CG-CG 3.88Å; F145-F215 HydrophobicContact CZ-CB 4.42Å; Y171-F215 HydrophobicContact CD1-CD2 4.46Å; Y171-F215 AromaticContact CD2-CD2 3.63Å; Y171-F215 HydrophobicContact CD2-CD2 3.63Å; Y171-F215 AromaticContact CD2-CE2 3.41Å; Y171-F215 HydrophobicContact CD2-CE2 3.41Å; Y171-F215 VanDerWaalsContact CD2-CE2 3.41Å; Y171-F215 AromaticContact CE2-CD2 3.85Å; Y171-F215 HydrophobicContact CE2-CD2 3.85Å; Y171-F215 AromaticContact CE2-CE2 3.5Å; Y171-F215 HydrophobicContact CE2-CE2 3.5Å; Y171-F215 AromaticContact CG-CD2 3.97Å; Y171-F215 HydrophobicContact CG-CD2 3.97Å; Y171-F215 HydrophobicContact CG-CE2 4.21Å; V211-F215 PolarHBondContact O-N 3.36Å; S212-F215 PolarHBondContact O-N 2.98Å; L213-F215 VanDerWaalsContact C-N 3.32Å; L213-F215 PolarHBondContact O-N 3.22Å; F215-D217 PolarHBondContact O-N 3.1Å; F215-Y218 PolarHBondContact O-N 2.98Å; F215-K219 HydrophobicContact CD1-CD 4.43Å; F215-K219 HydrophobicContact CD2-CB 4.19Å; F215-K219 HydrophobicContact CE1-CB 4.38Å; F215-K219 HydrophobicContact CE1-CD 3.91Å; F215-K219 HydrophobicContact CE2-CB 3.75Å; F215-K219 HydrophobicContact CZ-CB 3.87Å; F215-K219 HydrophobicContact CZ-CD 4.09Å; F215-K219 VanDerWaalsContact O-CB 3.23Å; F215-K219 WeakPolarHBondContact O-CB 3.41Å; F215-K219 WeakPolarHBondContact O-CG 3.4Å; F215-K219 PolarHBondContact O-N 2.87Å; F215-F225 HydrophobicContact CE1-CB 3.99Å; F215-F225 HydrophobicContact CE1-CD2 4.13Å; F215-F225 HydrophobicContact CE1-CG 4.11Å; F215-F225 HydrophobicContact CZ-CB 3.84Å; F215-F225 HydrophobicContact CZ-CG 4.43Å; F215-M227 HydrophobicContact CD1-CE 3.76Å; F215-M227 HydrophobicContact CD1-CG 3.77Å; F215-M227 HydrophobicContact CD1-SD 3.68Å; F215-M227 HydrophobicContact CE1-CE 4.46Å; F215-M227 HydrophobicContact CE1-CG 3.53Å; F215-M227 HydrophobicContact CE1-SD 3.85Å
216	L	98.2	Very high	96.8	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-32.3	177.4	-72.4	-179.1	0	0	0	112.9	S212 L213 D214 K219 F225 M227 L306 R309 L310	S212-L216 PolarHBondContact O-N 3.08Å; S212-L216 VanDerWaalsContact O-N 3.17Å; L213-L216 WeakPolarHBondContact O-CB 3.47Å; L213-L216 PolarHBondContact O-N 3.19Å; L213-L216 VanDerWaalsContact O-N 3.1Å; D214-L216 VanDerWaalsContact C-N 3.32Å; D214-L216 PolarHBondContact O-N 3.47Å; L216-K219 HydrophobicContact CD2-CD 4.22Å; L216-K219 PolarHBondContact O-NZ 2.82Å; L216-F225 HydrophobicContact CD2-CE1 4.1Å; L216-F225 HydrophobicContact CD2-CE2 4Å; L216-F225 HydrophobicContact CD2-CZ 3.69Å; L216-M227 HydrophobicContact CD2-CE 4.49Å; L216-M227 HydrophobicContact CD2-SD 3.59Å; L216-M227 VanDerWaalsContact CD2-SD 3.59Å; L216-M227 HydrophobicContact CG-CE 4.25Å; L216-M227 HydrophobicContact CG-SD 3.98Å; L216-L306 HydrophobicContact CD1-CD1 3.59Å; L216-R309 HydrophobicContact CB-CG 4.1Å; L216-R309 HydrophobicContact CD1-CB 4.13Å; L216-R309 HydrophobicContact CD1-CG 3.75Å; L216-L310 HydrophobicContact CD1-CD2 3.88Å; L216-L310 HydrophobicContact CD1-CG 4.02Å; L216-L310 HydrophobicContact CD2-CD2 3.78Å
217	D	96.4	Very high	96.8	Very high	76 Å²	76	44.5 Å²	44.5	41%	0.406	22%	0.218	S	C	.	.	H	α-helix	trans	-78.6	-34.4	179.4	-65.3	-17.5	0	0	0	112.8	L213 D214 F215 R309	L213-D217 PolarHBondContact O-N 3.46Å; L213-D217 VanDerWaalsContact O-N 3.1Å; D214-D217 PolarHBondContact O-N 2.85Å; D214-D217 VanDerWaalsContact O-N 3.14Å; F215-D217 PolarHBondContact O-N 3.1Å; D217-R309 IonicContact OD1-CZ 3.52Å; D217-R309 IonicContact OD1-NE 3.87Å; D217-R309 IonicContact OD1-NH1 3.7Å; D217-R309 PolarHBondContact OD1-NH1 3.49Å; D217-R309 IonicContact OD2-CZ 3.55Å; D217-R309 IonicContact OD2-NH1 3.95Å; D217-R309 PolarHBondContact OD2-NH1 3.03Å; D217-R309 IonicContact OD2-NH2 3.93Å
218	Y	95.1	Very high	96.8	Very high	185 Å²	185	44.1 Å²	44.1	73%	0.725	22%	0.215	S	C	*	.	H	α-helix	trans	-105.3	-13	-171.4	-64.4	-62.4	0	0	0	115.7	D214 F215	D214-Y218 HydrophobicContact CB-CD2 4.32Å; D214-Y218 HydrophobicContact CB-CE2 4.42Å; D214-Y218 WeakPolarHBondContact O-CD2 3.36Å; D214-Y218 PolarHBondContact O-N 3.4Å; F215-Y218 PolarHBondContact O-N 2.98Å
219	K	95.2	Very high	96.8	Very high	10 Å²	10	44.1 Å²	44.1	4%	0.043	22%	0.215	C	C	.	.	S	Bend	trans	-57.6	156.3	177.4	69.8	-169.8	-174	-34.7	0	112.1	F215 L216 N221 F225 E315	F215-K219 HydrophobicContact CD1-CD 4.43Å; F215-K219 HydrophobicContact CD2-CB 4.19Å; F215-K219 HydrophobicContact CE1-CB 4.38Å; F215-K219 HydrophobicContact CE1-CD 3.91Å; F215-K219 HydrophobicContact CE2-CB 3.75Å; F215-K219 HydrophobicContact CZ-CB 3.87Å; F215-K219 HydrophobicContact CZ-CD 4.09Å; F215-K219 VanDerWaalsContact O-CB 3.23Å; F215-K219 WeakPolarHBondContact O-CB 3.41Å; F215-K219 WeakPolarHBondContact O-CG 3.4Å; F215-K219 PolarHBondContact O-N 2.87Å; L216-K219 HydrophobicContact CD2-CD 4.22Å; L216-K219 PolarHBondContact O-NZ 2.82Å; K219-N221 PolarHBondContact O-N 3.4Å; K219-F225 HydrophobicContact CD-CB 4.32Å; K219-F225 HydrophobicContact CD-CD1 3.5Å; K219-F225 HydrophobicContact CD-CE1 3.98Å; K219-F225 HydrophobicContact CD-CG 4.02Å; K219-E315 WeakPolarHBondContact CE-OE1 3.33Å; K219-E315 VanDerWaalsContact CE-OE2 3.31Å; K219-E315 WeakPolarHBondContact CE-OE2 3.24Å; K219-E315 IonicContact NZ-OE1 2.7Å; K219-E315 PolarHBondContact NZ-OE1 2.83Å; K219-E315 IonicContact NZ-OE2 2.92Å; K219-E315 PolarHBondContact NZ-OE2 2.99Å
220	S	92.7	Very high	96.8	Very high	38 Å²	38	44 Å²	44	27%	0.266	21%	0.214	S	C	.	.			trans	-63.1	136	171.3	173.1	0	0	0	0	111.1	Q143 F222	Q143-S220 PolarHBondContact NE2-O 3.08Å; S220-F222 VanDerWaalsContact C-N 3.29Å; S220-F222 PolarHBondContact OG-N 3.01Å
221	N	90.6	Very high	96.8	Very high	106 Å²	106	40.4 Å²	40.4	57%	0.567	20%	0.195	S	C	*	.	S	Bend	trans	-82.8	-5.2	174.2	-71.4	-36.8	0	0	0	113.3	R45 K219	R45-N221 VanDerWaalsContact CZ-O 3.23Å; R45-N221 PolarHBondContact NH1-O 3.22Å; R45-N221 PolarHBondContact NH2-O 2.94Å; K219-N221 PolarHBondContact O-N 3.4Å
222	F	89.8	Confident	96.7	Very high	192 Å²	192	39.4 Å²	39.4	84%	0.842	19%	0.189	S	C	*	.	S	Bend	trans	-93.2	-21.8	-177.2	-57.6	-71	0	0	0	113.2	S220	S220-F222 VanDerWaalsContact C-N 3.29Å; S220-F222 PolarHBondContact OG-N 3.01Å
223	E	93.3	Very high	96.7	Very high	91 Å²	91	39.4 Å²	39.4	43%	0.425	19%	0.189	S	C	.	.	S	Bend	trans	-107.6	147.6	-178.5	-65	172.1	165.5	0	0	109.6	R45 Q143	R45-E223 PolarHBondContact NH2-O 3.15Å; Q143-E223 HydrophobicContact CG-CB 4.02Å; Q143-E223 WeakPolarHBondContact CG-OE2 3.43Å
224	P	97.4	Very high	96.7	Very high	15 Å²	15	38.5 Å²	38.5	10%	0.097	18%	0.184	C	C	.	.			trans	-68.4	157.9	165.6	32.4	-35.2	0	0	0	109.9	R46 N48 Y142 Q143	R46-P224 HydrophobicContact CB-CB 4.24Å; R46-P224 HydrophobicContact CB-CG 4.22Å; N48-P224 WeakPolarHBondContact OD1-CA 3.34Å; Y142-P224 WeakPolarHBondContact CA-O 3.35Å; Y142-P224 HydrophobicContact CD1-CB 4.07Å; Y142-P224 HydrophobicContact CD1-CG 4.17Å; Y142-P224 HydrophobicContact CD2-CB 4.32Å; Y142-P224 HydrophobicContact CD2-CG 3.59Å; Y142-P224 HydrophobicContact CE1-CB 3.74Å; Y142-P224 HydrophobicContact CE1-CG 4.09Å; Y142-P224 HydrophobicContact CE2-CB 4.01Å; Y142-P224 HydrophobicContact CE2-CG 3.51Å; Y142-P224 HydrophobicContact CG-CB 4.34Å; Y142-P224 HydrophobicContact CG-CG 3.91Å; Q143-P224 PolarHBondContact N-O 3Å
225	F	98.5	Very high	96.7	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	152.9	175.5	68.8	-99	0	0	0	113.4	N48 V49 V50 Q143 F215 L216 K219 M227 L310 T319	N48-F225 CarbonylContact C-O 3.56Å; N48-F225 WeakPolarHBondContact CA-O 3.43Å; N48-F225 HydrophobicContact CB-CD1 3.83Å; N48-F225 HydrophobicContact CB-CD2 4.04Å; N48-F225 HydrophobicContact CB-CE1 3.54Å; N48-F225 HydrophobicContact CB-CE2 3.74Å; N48-F225 HydrophobicContact CB-CG 4.09Å; N48-F225 HydrophobicContact CB-CZ 3.47Å; N48-F225 VanDerWaalsContact CB-CZ 3.47Å; N48-F225 WeakPolarHBondContact ND2-CE1 3.38Å; N48-F225 VanDerWaalsContact OD1-CD1 3.26Å; N48-F225 WeakPolarHBondContact OD1-CD1 3.35Å; N48-F225 PolarHBondContact OD1-N 2.91Å; N48-F225 VanDerWaalsContact OD1-N 3.07Å; V49-F225 PolarHBondContact N-O 2.89Å; V50-F225 HydrophobicContact CG2-CE2 3.98Å; Q143-F225 HydrophobicContact CB-CB 4.33Å; Q143-F225 CarbonylContact O-C 3.6Å; Q143-F225 WeakPolarHBondContact O-CA 3.04Å; F215-F225 HydrophobicContact CE1-CB 3.99Å; F215-F225 HydrophobicContact CE1-CD2 4.13Å; F215-F225 HydrophobicContact CE1-CG 4.11Å; F215-F225 HydrophobicContact CZ-CB 3.84Å; F215-F225 HydrophobicContact CZ-CG 4.43Å; L216-F225 HydrophobicContact CD2-CE1 4.1Å; L216-F225 HydrophobicContact CD2-CE2 4Å; L216-F225 HydrophobicContact CD2-CZ 3.69Å; K219-F225 HydrophobicContact CD-CB 4.32Å; K219-F225 HydrophobicContact CD-CD1 3.5Å; K219-F225 HydrophobicContact CD-CE1 3.98Å; K219-F225 HydrophobicContact CD-CG 4.02Å; F225-M227 HydrophobicContact CD2-CG 3.81Å; F225-M227 HydrophobicContact CD2-SD 4.09Å; F225-M227 HydrophobicContact CE2-CG 4.1Å; F225-M227 HydrophobicContact CE2-SD 3.84Å; F225-L310 HydrophobicContact CZ-CD2 3.69Å; F225-T319 HydrophobicContact CZ-CG2 4.37Å
226	F	98.7	Very high	96.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	126.8	165.8	169.1	-115.6	0	0	0	109.2	V49 L51 F132 P133 L136 Y142 Q143 T144 F145 W169 M228 I378	V49-F226 HydrophobicContact CB-CD2 3.95Å; V49-F226 HydrophobicContact CG1-CD2 4Å; V49-F226 HydrophobicContact CG1-CE2 4.27Å; V49-F226 CarbonylContact O-C 3.5Å; V49-F226 VanDerWaalsContact O-CA 3.22Å; V49-F226 WeakPolarHBondContact O-CA 3.1Å; L51-F226 HydrophobicContact CB-CE2 4.02Å; L51-F226 HydrophobicContact CB-CZ 4.33Å; F132-F226 HydrophobicContact CE2-CD1 4.18Å; F132-F226 AromaticContact CE2-CE1 3.47Å; F132-F226 HydrophobicContact CE2-CE1 3.47Å; F132-F226 VanDerWaalsContact CE2-CE1 3.47Å; F132-F226 HydrophobicContact CE2-CE2 4.03Å; F132-F226 AromaticContact CE2-CZ 3.4Å; F132-F226 HydrophobicContact CE2-CZ 3.4Å; F132-F226 AromaticContact CZ-CE1 3.78Å; F132-F226 HydrophobicContact CZ-CE1 3.78Å; F132-F226 HydrophobicContact CZ-CE2 4.32Å; F132-F226 AromaticContact CZ-CZ 3.47Å; F132-F226 HydrophobicContact CZ-CZ 3.47Å; F132-F226 VanDerWaalsContact CZ-CZ 3.47Å; P133-F226 HydrophobicContact CG-CE1 4.25Å; L136-F226 HydrophobicContact CD1-CB 4.08Å; L136-F226 HydrophobicContact CD1-CD1 3.87Å; L136-F226 HydrophobicContact CD1-CE1 4.49Å; L136-F226 HydrophobicContact CD1-CG 3.88Å; Y142-F226 HydrophobicContact CD1-CB 3.94Å; Q143-F226 PolarHBondContact O-N 2.83Å; T144-F226 CarbonylContact C-O 3.48Å; T144-F226 WeakPolarHBondContact CA-O 3.41Å; T144-F226 HydrophobicContact CG2-CB 4.33Å; T144-F226 HydrophobicContact CG2-CD1 4.24Å; F145-F226 PolarHBondContact N-O 3.01Å; W169-F226 HydrophobicContact CH2-CD1 4.38Å; W169-F226 AromaticContact CH2-CE1 3.64Å; W169-F226 HydrophobicContact CH2-CE1 3.64Å; W169-F226 AromaticContact CZ3-CD1 3.98Å; W169-F226 HydrophobicContact CZ3-CD1 3.98Å; W169-F226 AromaticContact CZ3-CE1 3.67Å; W169-F226 HydrophobicContact CZ3-CE1 3.67Å; F226-M228 HydrophobicContact CE1-CB 4.07Å; F226-M228 HydrophobicContact CZ-CB 3.78Å; F226-I378 HydrophobicContact CD2-CG2 4.16Å; F226-I378 HydrophobicContact CE2-CD1 3.92Å; F226-I378 HydrophobicContact CE2-CG2 4.36Å; F226-I378 HydrophobicContact CZ-CD1 4.3Å
227	M	98.9	Very high	96.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	133.1	173.3	-63.5	172.3	77.5	0	0	110	V49 V50 L51 F145 S212 F215 L216 F225 I229 L306	V49-M227 PolarHBondContact O-N 2.93Å; V50-M227 CarbonylContact C-O 3.31Å; V50-M227 WeakPolarHBondContact CA-O 3.12Å; V50-M227 HydrophobicContact CG2-CB 4.31Å; V50-M227 HydrophobicContact CG2-SD 4.24Å; L51-M227 PolarHBondContact N-O 2.98Å; F145-M227 HydrophobicContact CB-CB 4.49Å; F145-M227 HydrophobicContact CB-CG 4.01Å; F145-M227 HydrophobicContact CD1-CB 3.99Å; F145-M227 HydrophobicContact CD1-CE 3.85Å; F145-M227 HydrophobicContact CD1-CG 3.95Å; F145-M227 HydrophobicContact CE1-CE 3.93Å; F145-M227 HydrophobicContact CG-CE 4.45Å; F145-M227 HydrophobicContact CG-CG 4.25Å; F145-M227 CarbonylContact O-C 3.06Å; F145-M227 WeakPolarHBondContact O-CA 3.29Å; S212-M227 WeakPolarHBondContact O-CE 3.41Å; F215-M227 HydrophobicContact CD1-CE 3.76Å; F215-M227 HydrophobicContact CD1-CG 3.77Å; F215-M227 HydrophobicContact CD1-SD 3.68Å; F215-M227 HydrophobicContact CE1-CE 4.46Å; F215-M227 HydrophobicContact CE1-CG 3.53Å; F215-M227 HydrophobicContact CE1-SD 3.85Å; L216-M227 HydrophobicContact CD2-CE 4.49Å; L216-M227 HydrophobicContact CD2-SD 3.59Å; L216-M227 VanDerWaalsContact CD2-SD 3.59Å; L216-M227 HydrophobicContact CG-CE 4.25Å; L216-M227 HydrophobicContact CG-SD 3.98Å; F225-M227 HydrophobicContact CD2-CG 3.81Å; F225-M227 HydrophobicContact CD2-SD 4.09Å; F225-M227 HydrophobicContact CE2-CG 4.1Å; F225-M227 HydrophobicContact CE2-SD 3.84Å; M227-I229 HydrophobicContact CE-CD1 4.09Å; M227-L306 HydrophobicContact CE-CD1 4.11Å; M227-L306 HydrophobicContact SD-CD1 4.5Å
228	M	98.9	Very high	96.6	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.025	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	112.3	165.7	-175	172.5	-178	0	0	109.2	L51 L53 I98 L99 F145 F146 A147 W169 F226	L51-M228 HydrophobicContact CD2-CE 4.17Å; L51-M228 HydrophobicContact CD2-CG 4.22Å; L51-M228 HydrophobicContact CD2-SD 4.26Å; L51-M228 HydrophobicContact CG-CG 4.44Å; L51-M228 CarbonylContact O-C 3.33Å; L51-M228 WeakPolarHBondContact O-CA 3.37Å; L53-M228 HydrophobicContact CB-CE 4.43Å; L53-M228 HydrophobicContact CD2-CE 3.48Å; L53-M228 VanDerWaalsContact CD2-CE 3.48Å; I98-M228 HydrophobicContact CG2-CE 4.47Å; L99-M228 HydrophobicContact CD2-SD 4.32Å; F145-M228 PolarHBondContact O-N 2.83Å; F146-M228 WeakPolarHBondContact CA-O 3.22Å; F146-M228 HydrophobicContact CD2-CB 3.95Å; F146-M228 HydrophobicContact CD2-CG 4Å; F146-M228 HydrophobicContact CD2-SD 4.04Å; F146-M228 HydrophobicContact CE2-CB 4.47Å; F146-M228 HydrophobicContact CE2-CE 4.38Å; F146-M228 HydrophobicContact CE2-CG 4.02Å; F146-M228 HydrophobicContact CE2-SD 3.89Å; A147-M228 PolarHBondContact N-O 2.87Å; W169-M228 HydrophobicContact CH2-CB 3.82Å; W169-M228 HydrophobicContact CH2-SD 4.12Å; W169-M228 HydrophobicContact CZ3-CB 4.21Å; F226-M228 HydrophobicContact CE1-CB 4.07Å; F226-M228 HydrophobicContact CZ-CB 3.78Å
229	I	98.9	Very high	96.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	99.8	-179.4	-50.9	170.9	0	0	0	107.3	L51 L52 L53 F145 A147 S212 M227 T231 L302 L306	L51-I229 PolarHBondContact O-N 3.29Å; L52-I229 HydrophobicContact CD2-CB 4.1Å; L52-I229 HydrophobicContact CD2-CD1 4.09Å; L52-I229 HydrophobicContact CD2-CG2 4.45Å; L53-I229 PolarHBondContact N-O 2.68Å; F145-I229 HydrophobicContact CE1-CG1 4.32Å; A147-I229 CarbonylContact O-C 3.53Å; A147-I229 WeakPolarHBondContact O-CA 3.33Å; S212-I229 WeakPolarHBondContact OG-CD1 3.18Å; M227-I229 HydrophobicContact CE-CD1 4.09Å; I229-T231 HydrophobicContact CG2-CG2 4.34Å; I229-L302 HydrophobicContact CD1-CD2 4.31Å; I229-L302 HydrophobicContact CG2-CD1 4.01Å; I229-L302 HydrophobicContact CG2-CD2 4.24Å; I229-L306 HydrophobicContact CD1-CD1 4.15Å; I229-L306 HydrophobicContact CD1-CD2 3.65Å
230	A	98.8	Very high	96.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	79.1	-170.6	0	0	0	0	0	111.2	L53 F146 A147 G148 K149	L53-A230 HydrophobicContact CB-CB 4.28Å; L53-A230 HydrophobicContact CD2-CB 4.36Å; L53-A230 CarbonylContact O-C 3.59Å; L53-A230 VanDerWaalsContact O-CA 3.23Å; L53-A230 WeakPolarHBondContact O-CA 3.45Å; F146-A230 HydrophobicContact CE2-CB 4.11Å; F146-A230 HydrophobicContact CZ-CB 4.01Å; A147-A230 PolarHBondContact O-N 2.82Å; G148-A230 CarbonylContact C-O 3.54Å; G148-A230 VanDerWaalsContact CA-O 3.29Å; G148-A230 WeakPolarHBondContact CA-O 3.35Å; K149-A230 PolarHBondContact N-O 3.42Å; K149-A230 VanDerWaalsContact O-CB 3.29Å; K149-A230 WeakPolarHBondContact O-CB 3.34Å
231	T	98.5	Very high	97.1	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.012	16%	0.155	C	C	.	.			trans	-70.5	137.8	-178.3	67.2	0	0	0	0	110.5	L53 D55 T205 L208 I229 A233 V299 L302	L53-T231 PolarHBondContact O-N 3.07Å; D55-T231 PolarHBondContact N-O 3.42Å; T205-T231 HydrophobicContact CG2-CG2 4.36Å; L208-T231 HydrophobicContact CD1-CG2 4.26Å; I229-T231 HydrophobicContact CG2-CG2 4.34Å; T231-A233 PolarHBondContact O-N 3.11Å; T231-V299 HydrophobicContact CG2-CG2 4.4Å; T231-L302 HydrophobicContact CG2-CD1 3.95Å
232	P	97.7	Very high	97.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.146	C	C	.	.			trans	-76.4	-0.8	175.7	29.5	-32.3	0	0	0	113.6	K180 L204 H235	K180-P232 WeakPolarHBondContact O-CG 3.39Å; L204-P232 HydrophobicContact CD2-CG 3.58Å; P232-H235 WeakPolarHBondContact O-CA 3.25Å; P232-H235 WeakPolarHBondContact O-CB 3.4Å; P232-H235 PolarHBondContact O-N 2.84Å
233	A	98.3	Very high	97.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	142.6	172.8	0	0	0	0	0	110.5	T54 D55 Y181 T231 V299	T54-A233 VanDerWaalsContact CB-O 3.24Å; T54-A233 WeakPolarHBondContact CB-O 3.43Å; D55-A233 PolarHBondContact N-O 3.35Å; D55-A233 VanDerWaalsContact N-O 3.08Å; D55-A233 CarbonylContact O-C 3.6Å; Y181-A233 HydrophobicContact CE1-CB 4.15Å; Y181-A233 WeakPolarHBondContact OH-CA 3.44Å; T231-A233 PolarHBondContact O-N 3.11Å; A233-V299 HydrophobicContact CB-CG2 3.72Å
234	P	98.5	Very high	98.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.4	32.5	-1	38.3	-40.2	0	0	0	115.9	D55 Q57 W238 R292 T295 L296	D55-P234 CarbonylContact O-C 3.52Å; D55-P234 WeakPolarHBondContact O-CD 3.49Å; Q57-P234 HydrophobicContact CB-CG 4.15Å; P234-W238 PolarHBondContact O-NE1 2.93Å; P234-W238 VanDerWaalsContact O-NE1 3.13Å; P234-R292 HydrophobicContact CB-CB 3.81Å; P234-R292 HydrophobicContact CB-CG 4.13Å; P234-T295 WeakPolarHBondContact CA-OG1 3.25Å; P234-L296 HydrophobicContact CB-CD1 4.36Å; P234-L296 HydrophobicContact CB-CD2 4.4Å; P234-L296 HydrophobicContact CB-CG 4.04Å; P234-L296 HydrophobicContact CG-CD1 4.26Å; P234-L296 HydrophobicContact CG-CD2 4.27Å; P234-L296 HydrophobicContact CG-CG 4.24Å
235	H	98.1	Very high	98	Very high	22 Å²	22	24.9 Å²	24.9	10%	0.102	13%	0.134	C	C	.	.	S	Bend	trans	-62.1	153.3	175.4	-168.6	-76	0	0	0	112	D55 D56 S179 Y181 P232 W238 K340	D55-H235 HydrophobicContact CB-CB 4.01Å; D55-H235 PolarHBondContact O-N 3.44Å; D55-H235 VanDerWaalsContact O-N 3.12Å; D55-H235 IonicContact OD1-CD2 3.77Å; D55-H235 PolarHBondContact OD1-CD2 2.94Å; D55-H235 IonicContact OD1-CG 2.67Å; D56-H235 VanDerWaalsContact CG-CD2 3.48Å; D56-H235 IonicContact OD1-CD2 3.7Å; D56-H235 IonicContact OD2-CD2 3.51Å; D56-H235 PolarHBondContact OD2-CD2 3.33Å; D56-H235 IonicContact OD2-CG 2.74Å; D56-H235 IonicContact OD2-NE2 3.31Å; S179-H235 WeakPolarHBondContact CB-ND1 3.49Å; S179-H235 PolarHBondContact OG-ND1 3.41Å; Y181-H235 WeakPolarHBondContact CE2-O 3.43Å; Y181-H235 PolarHBondContact OH-O 3.43Å; P232-H235 WeakPolarHBondContact O-CA 3.25Å; P232-H235 WeakPolarHBondContact O-CB 3.4Å; P232-H235 PolarHBondContact O-N 2.84Å; H235-W238 PolarHBondContact O-N 3.2Å; H235-K340 PolarHBondContact CD2-NZ 2.96Å; H235-K340 PolarHBondContact NE2-NZ 3.15Å
236	S	96.7	Very high	97.9	Very high	46 Å²	46	32.9 Å²	32.9	32%	0.322	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	142.9	170.9	-176.3	0	0	0	0	111	W238	S236-W238 VanDerWaalsContact N-NE1 3.16Å
237	P	97.1	Very high	97.9	Very high	64 Å²	64	34.1 Å²	34.1	42%	0.416	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	cis	-87	14.5	16.3	34.9	-38.8	0	0	0	116.7	Y181 T239	Y181-P237 HydrophobicContact CD2-CG 3.92Å; Y181-P237 HydrophobicContact CE2-CG 4.29Å; P237-T239 VanDerWaalsContact C-N 3.27Å; P237-T239 PolarHBondContact O-N 3.22Å
238	W	97.2	Very high	97.8	Very high	24 Å²	24	36.9 Å²	36.9	9%	0.091	19%	0.191	C	C	.	.			trans	55.7	36.4	176	-42.7	-60.7	0	0	0	114.7	P234 H235 S236 A240 F284 A288 K291 R292 T295 I338	P234-W238 PolarHBondContact O-NE1 2.93Å; P234-W238 VanDerWaalsContact O-NE1 3.13Å; H235-W238 PolarHBondContact O-N 3.2Å; S236-W238 VanDerWaalsContact N-NE1 3.16Å; W238-A240 PolarHBondContact O-N 3.35Å; W238-F284 HydrophobicContact CH2-CZ 4.36Å; W238-F284 HydrophobicContact CZ3-CZ 4.16Å; W238-A288 HydrophobicContact CD2-CB 4.37Å; W238-A288 HydrophobicContact CE3-CB 4.04Å; W238-A288 HydrophobicContact CH2-CB 3.81Å; W238-A288 HydrophobicContact CZ2-CB 4.14Å; W238-A288 HydrophobicContact CZ3-CB 3.75Å; W238-K291 HydrophobicContact CB-CB 3.5Å; W238-K291 HydrophobicContact CB-CD 4.39Å; W238-K291 HydrophobicContact CG-CB 4.38Å; W238-R292 HydrophobicContact CD2-CG 4.5Å; W238-R292 HydrophobicContact CG-CG 4.02Å; W238-R292 VanDerWaalsContact NE1-CG 3.33Å; W238-T295 VanDerWaalsContact C-CG2 3.49Å; W238-I338 HydrophobicContact CH2-CD1 3.95Å
239	T	97.7	Very high	97.6	Very high	53 Å²	53	41.7 Å²	41.7	33%	0.325	21%	0.213	S	C	.	.			trans	-82.7	100.6	-177.3	-53.4	0	0	0	0	109.9	Y181 Y182 Y203 P237	Y181-T239 VanDerWaalsContact CD1-O 3.29Å; Y181-T239 WeakPolarHBondContact CD1-O 3.41Å; Y182-T239 HydrophobicContact CD2-CG2 4Å; Y182-T239 HydrophobicContact CE2-CG2 3.79Å; Y203-T239 WeakPolarHBondContact CE2-O 3.49Å; Y203-T239 PolarHBondContact OH-O 3.46Å; P237-T239 VanDerWaalsContact C-N 3.27Å; P237-T239 PolarHBondContact O-N 3.22Å
240	A	98	Very high	97.4	Very high	5 Å²	5	48.3 Å²	48.3	4%	0.041	25%	0.249	C	C	.	.			trans	-71	151.7	177.8	0	0	0	0	0	112.9	W238 Q294 T295	W238-A240 PolarHBondContact O-N 3.35Å; A240-Q294 HydrophobicContact CB-CB 3.51Å; A240-T295 HydrophobicContact CB-CG2 4.37Å
241	A	98.1	Very high	97.3	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.259	C	S	.	.			trans	-56.2	145.1	167	0	0	0	0	0	110.5	Y199 Y203 Q243 Y244 Q245	Y199-A241 HydrophobicContact CD2-CB 4.45Å; Y199-A241 HydrophobicContact CE2-CB 3.69Å; Y203-A241 HydrophobicContact CD1-CB 4.14Å; Y203-A241 HydrophobicContact CE1-CB 3.72Å; Y203-A241 HydrophobicContact CE2-CB 4.36Å; Y203-A241 PolarHBondContact OH-N 2.82Å; A241-Q243 VanDerWaalsContact C-N 3.27Å; A241-Q243 PolarHBondContact O-N 3.27Å; A241-Q243 VanDerWaalsContact O-N 3.12Å; A241-Y244 HydrophobicContact CB-CD2 4.07Å; A241-Y244 PolarHBondContact O-N 3.43Å; A241-Q245 PolarHBondContact O-N 3.1Å
242	P	97.7	Very high	97.3	Very high	56 Å²	56	55.5 Å²	55.5	36%	0.364	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-51	-40.8	-173.2	-29.8	37	0	0	0	114.9	Y199 Y244 Q245	Y199-P242 HydrophobicContact CD1-CG 4.13Å; Y199-P242 HydrophobicContact CD2-CG 3.96Å; Y199-P242 HydrophobicContact CG-CG 3.72Å; P242-Y244 PolarHBondContact O-N 2.57Å; P242-Q245 PolarHBondContact O-N 2.59Å
243	Q	97.9	Very high	97.3	Very high	90 Å²	90	55.6 Å²	55.6	42%	0.421	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-63.9	-21.6	178.7	67.2	-85.5	23.6	0	0	113.9	Y199 A241	Y199-Q243 PolarHBondContact OH-NE2 3.46Å; Y199-Q243 PolarHBondContact OH-OE1 3.05Å; A241-Q243 VanDerWaalsContact C-N 3.27Å; A241-Q243 PolarHBondContact O-N 3.27Å; A241-Q243 VanDerWaalsContact O-N 3.12Å
244	Y	98.2	Very high	97.2	Very high	43 Å²	43	57.2 Å²	57.2	17%	0.169	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-102.5	-7.3	-177	-63.2	-42.7	0	0	0	114.2	A241 P242 K246 A247 Q294 L297 D301	A241-Y244 HydrophobicContact CB-CD2 4.07Å; A241-Y244 PolarHBondContact O-N 3.43Å; P242-Y244 PolarHBondContact O-N 2.57Å; Y244-K246 PolarHBondContact O-N 3.08Å; Y244-A247 WeakPolarHBondContact O-CB 3.35Å; Y244-A247 PolarHBondContact O-N 3.09Å; Y244-Q294 WeakPolarHBondContact O-CG 3.05Å; Y244-L297 HydrophobicContact CD1-CB 3.78Å; Y244-L297 HydrophobicContact CD1-CD1 3.4Å; Y244-L297 VanDerWaalsContact CD1-CD1 3.4Å; Y244-L297 HydrophobicContact CD1-CG 4.21Å; Y244-L297 HydrophobicContact CD2-CB 3.54Å; Y244-L297 HydrophobicContact CD2-CD1 4.49Å; Y244-L297 HydrophobicContact CE1-CB 3.86Å; Y244-L297 HydrophobicContact CE1-CD1 3.99Å; Y244-L297 HydrophobicContact CE1-CG 4.46Å; Y244-L297 HydrophobicContact CE2-CB 3.62Å; Y244-L297 HydrophobicContact CG-CB 3.63Å; Y244-L297 HydrophobicContact CG-CD1 3.71Å; Y244-L297 HydrophobicContact CG-CG 4.33Å; Y244-D301 WeakPolarHBondContact CE2-OD2 3.34Å; Y244-D301 PolarHBondContact OH-OD1 2.93Å; Y244-D301 PolarHBondContact OH-OD2 3.08Å
245	Q	96.3	Very high	97.2	Very high	113 Å²	113	62.4 Å²	62.4	53%	0.528	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.7	-178	-69	178.7	-3.9	0	0	114.2	A241 P242 Q294	A241-Q245 PolarHBondContact O-N 3.1Å; P242-Q245 PolarHBondContact O-N 2.59Å; Q245-Q294 PolarHBondContact O-NE2 2.99Å
246	K	96.7	Very high	97	Very high	168 Å²	168	64 Å²	64	73%	0.73	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	2.6	178.8	-62.7	-175.8	-179.1	178.3	0	113.6	Y244 Q249	Y244-K246 PolarHBondContact O-N 3.08Å; K246-Q249 WeakPolarHBondContact O-CG 3.47Å
247	A	97.8	Very high	97	Very high	25 Å²	25	69.3 Å²	69.3	21%	0.207	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	149.6	173.8	0	0	0	0	0	110.5	Y244 Q249 Q294 L297	Y244-A247 WeakPolarHBondContact O-CB 3.35Å; Y244-A247 PolarHBondContact O-N 3.09Å; A247-Q249 VanDerWaalsContact C-N 3.28Å; A247-Q249 PolarHBondContact O-N 2.99Å; A247-Q294 HydrophobicContact CB-CG 4.35Å; A247-Q294 PolarHBondContact O-NE2 3.15Å; A247-L297 HydrophobicContact CB-CD1 3.69Å
248	F	97	Very high	97	Very high	59 Å²	59	66.6 Å²	66.6	26%	0.259	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	28.4	171.5	-48.2	-62.3	0	0	0	115.8	P66 N250 V251 R290 W293 Q294 L297	P66-F248 HydrophobicContact CB-CE2 4.01Å; P66-F248 HydrophobicContact CB-CZ 3.86Å; F248-N250 PolarHBondContact O-N 3.29Å; F248-V251 HydrophobicContact CB-CB 3.94Å; F248-V251 HydrophobicContact CB-CG2 3.67Å; F248-V251 HydrophobicContact CD1-CG2 4.07Å; F248-V251 HydrophobicContact CG-CG2 4.3Å; F248-V251 WeakPolarHBondContact O-CB 3.49Å; F248-V251 PolarHBondContact O-N 3.41Å; F248-R290 HydrophobicContact CB-CG 4.15Å; F248-R290 VanDerWaalsContact O-CD 3.27Å; F248-R290 WeakPolarHBondContact O-CD 3.14Å; F248-R290 WeakPolarHBondContact O-CG 3.29Å; F248-R290 PolarHBondContact O-NE 2.98Å; F248-W293 AromaticContact CD1-CE3 3.88Å; F248-W293 HydrophobicContact CD1-CE3 3.88Å; F248-W293 HydrophobicContact CD1-CZ3 4.29Å; F248-W293 HydrophobicContact CD2-CB 3.81Å; F248-W293 HydrophobicContact CD2-CE3 4.28Å; F248-W293 HydrophobicContact CE1-CE3 4.07Å; F248-W293 HydrophobicContact CE1-CZ3 4.47Å; F248-W293 HydrophobicContact CE2-CB 3.97Å; F248-W293 HydrophobicContact CE2-CE3 4.44Å; F248-W293 AromaticContact CG-CE3 3.99Å; F248-W293 HydrophobicContact CG-CE3 3.99Å; F248-W293 HydrophobicContact CZ-CE3 4.35Å; F248-Q294 HydrophobicContact CD2-CG 4.28Å; F248-L297 HydrophobicContact CD2-CD1 4.49Å; F248-L297 HydrophobicContact CE2-CD1 3.67Å; F248-L297 HydrophobicContact CE2-CD2 4.26Å; F248-L297 HydrophobicContact CE2-CG 4.02Å; F248-L297 HydrophobicContact CZ-CD1 4.28Å; F248-L297 HydrophobicContact CZ-CD2 4.24Å; F248-L297 HydrophobicContact CZ-CG 4.5Å
249	Q	95	Very high	97.1	Very high	105 Å²	105	66.6 Å²	66.6	49%	0.491	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-27.1	-176.3	-78.7	178.5	-8.8	0	0	115.4	K246 A247 R290	K246-Q249 WeakPolarHBondContact O-CG 3.47Å; A247-Q249 VanDerWaalsContact C-N 3.28Å; A247-Q249 PolarHBondContact O-N 2.99Å; Q249-R290 PolarHBondContact O-NE 2.88Å; Q249-R290 PolarHBondContact O-NH1 2.93Å; Q249-R290 VanDerWaalsContact O-NH1 3.13Å; Q249-R290 PolarHBondContact O-NH2 2.71Å
250	N	95.3	Very high	97.1	Very high	139 Å²	139	65.8 Å²	65.8	74%	0.743	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	12.8	-179.4	-58.9	-30.2	0	0	0	112.9	F248 F252	F248-N250 PolarHBondContact O-N 3.29Å; N250-F252 WeakPolarHBondContact O-CD2 3.31Å; N250-F252 WeakPolarHBondContact O-CE2 3.01Å
251	V	96.7	Very high	97	Very high	37 Å²	37	68.1 Å²	68.1	22%	0.224	33%	0.328	C	S	.	.			trans	-87.2	138.6	175.3	177.7	0	0	0	0	109.3	F248 F289 R290 W293	F248-V251 HydrophobicContact CB-CB 3.94Å; F248-V251 HydrophobicContact CB-CG2 3.67Å; F248-V251 HydrophobicContact CD1-CG2 4.07Å; F248-V251 HydrophobicContact CG-CG2 4.3Å; F248-V251 WeakPolarHBondContact O-CB 3.49Å; F248-V251 PolarHBondContact O-N 3.41Å; V251-F289 HydrophobicContact CG1-CD1 4.04Å; V251-F289 HydrophobicContact CG1-CE1 3.66Å; V251-R290 PolarHBondContact O-NE 2.83Å; V251-R290 PolarHBondContact O-NH2 3.05Å; V251-W293 HydrophobicContact CB-CZ3 4.49Å; V251-W293 HydrophobicContact CG1-CE3 3.9Å; V251-W293 HydrophobicContact CG1-CH2 4.09Å; V251-W293 HydrophobicContact CG1-CZ3 3.64Å; V251-W293 HydrophobicContact CG2-CE3 4.47Å; V251-W293 HydrophobicContact CG2-CZ3 4.13Å
252	F	97.4	Very high	96.8	Very high	116 Å²	116	72 Å²	72	51%	0.509	35%	0.346	S	S	.	.			trans	-123.2	161.3	176.2	-56.7	-80.4	0	0	0	108.9	N250 D286 F289	N250-F252 WeakPolarHBondContact O-CD2 3.31Å; N250-F252 WeakPolarHBondContact O-CE2 3.01Å; F252-D286 HydrophobicContact CD1-CB 3.98Å; F252-D286 WeakPolarHBondContact CD1-OD2 3.35Å; F252-F289 WeakPolarHBondContact O-CE1 3.04Å
253	A	97.4	Very high	96.6	Very high	2 Å²	2	69.4 Å²	69.4	2%	0.017	33%	0.329	C	S	.	.			trans	-61.4	143	172.9	0	0	0	0	0	110.6	R255 L285 D286 F289 T331	A253-R255 PolarHBondContact O-N 3.39Å; A253-R255 PolarHBondContact O-NH1 3.44Å; A253-L285 HydrophobicContact CB-CD1 3.74Å; A253-D286 PolarHBondContact N-OD1 2.99Å; A253-F289 HydrophobicContact CB-CB 3.88Å; A253-F289 HydrophobicContact CB-CD1 4.33Å; A253-F289 HydrophobicContact CB-CD2 3.92Å; A253-F289 HydrophobicContact CB-CG 3.77Å; A253-T331 WeakPolarHBondContact CB-OG1 3.29Å
254	P	96.8	Very high	96.3	Very high	34 Å²	34	70 Å²	70	22%	0.221	34%	0.339	C	S	.	.			trans	-55.6	131.9	-178.3	-26.9	35	0	0	0	112.5	L61 N256 F259 F289	L61-P254 HydrophobicContact CB-CG 4.09Å; L61-P254 WeakPolarHBondContact O-CG 3.31Å; P254-N256 VanDerWaalsContact C-N 3.26Å; P254-N256 WeakPolarHBondContact CB-OD1 3.36Å; P254-N256 PolarHBondContact O-N 2.8Å; P254-F259 WeakPolarHBondContact O-CD2 3.1Å; P254-F289 VanDerWaalsContact CD-CZ 3.49Å; P254-F289 HydrophobicContact CG-CE2 4.34Å; P254-F289 HydrophobicContact CG-CZ 4.12Å
255	R	97.3	Very high	96.1	Very high	109 Å²	109	70.6 Å²	70.6	41%	0.411	35%	0.345	S	S	.	.			trans	-93.1	52.7	178.8	-55.2	-54.9	-167.3	-125.8	2.7	110.8	A253 F259 D286	A253-R255 PolarHBondContact O-N 3.39Å; A253-R255 PolarHBondContact O-NH1 3.44Å; R255-F259 VanDerWaalsContact CD-CD1 3.41Å; R255-D286 IonicContact CZ-OD1 2.68Å; R255-D286 VanDerWaalsContact CZ-OD1 3.26Å; R255-D286 IonicContact CZ-OD2 2.91Å; R255-D286 IonicContact NH1-OD1 3.05Å; R255-D286 PolarHBondContact NH1-OD1 2.98Å; R255-D286 IonicContact NH1-OD2 3.25Å; R255-D286 IonicContact NH2-OD1 2.71Å; R255-D286 PolarHBondContact NH2-OD1 3.33Å; R255-D286 IonicContact NH2-OD2 3.12Å; R255-D286 PolarHBondContact NH2-OD2 3.04Å
256	N	95.7	Very high	96	Very high	57 Å²	57	65.3 Å²	65.3	31%	0.305	32%	0.32	S	S	.	.			trans	-61.4	169.8	178.9	-66	26.8	0	0	0	110.7	P254 N258 F259	P254-N256 VanDerWaalsContact C-N 3.26Å; P254-N256 WeakPolarHBondContact CB-OD1 3.36Å; P254-N256 PolarHBondContact O-N 2.8Å; N256-N258 WeakPolarHBondContact CB-OD1 3.22Å; N256-N258 PolarHBondContact O-N 3.41Å; N256-N258 VanDerWaalsContact O-N 3.09Å; N256-F259 WeakPolarHBondContact O-CB 3.28Å; N256-F259 PolarHBondContact O-N 2.65Å
257	K	96.8	Very high	95.9	Very high	156 Å²	156	57.3 Å²	57.3	68%	0.678	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-24.1	-175.3	-62.9	177.8	-178.3	173.8	0	113.5	D486 I488	K257-D486 HydrophobicContact CB-CB 4.36Å; K257-D486 WeakPolarHBondContact CB-OD2 3.4Å; K257-I488 HydrophobicContact CB-CD1 3.46Å; K257-I488 VanDerWaalsContact CB-CD1 3.46Å; K257-I488 HydrophobicContact CD-CD1 4.33Å
258	N	97	Very high	95.7	Very high	7 Å²	7	57.4 Å²	57.4	4%	0.037	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	2.1	174.5	61.5	1.5	0	0	0	114.1	N256 I261 Q333 F334 D486 I488	N256-N258 WeakPolarHBondContact CB-OD1 3.22Å; N256-N258 PolarHBondContact O-N 3.41Å; N256-N258 VanDerWaalsContact O-N 3.09Å; N258-I261 HydrophobicContact CB-CD1 4.42Å; N258-Q333 CarbonylContact O-C 3.32Å; N258-Q333 WeakPolarHBondContact O-CA 3.45Å; N258-Q333 WeakPolarHBondContact OD1-CG 3.43Å; N258-F334 HydrophobicContact CB-CD1 4.06Å; N258-F334 HydrophobicContact CB-CE1 3.41Å; N258-F334 VanDerWaalsContact CB-CE1 3.41Å; N258-F334 HydrophobicContact CB-CE2 4.33Å; N258-F334 HydrophobicContact CB-CZ 3.56Å; N258-F334 PolarHBondContact O-N 3.42Å; N258-D486 HydrophobicContact CB-CB 4.14Å; N258-D486 WeakPolarHBondContact CB-O 3.37Å; N258-D486 PolarHBondContact ND2-O 3.47Å; N258-I488 HydrophobicContact CB-CG1 4.27Å
259	F	98.1	Very high	95.5	Very high	25 Å²	25	54.8 Å²	54.8	11%	0.11	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-73.6	127.9	177.3	178.8	-88.6	0	0	0	111.3	P254 R255 N256 I261 M277 L285 T331	P254-F259 WeakPolarHBondContact O-CD2 3.1Å; R255-F259 VanDerWaalsContact CD-CD1 3.41Å; N256-F259 WeakPolarHBondContact O-CB 3.28Å; N256-F259 PolarHBondContact O-N 2.65Å; F259-I261 WeakPolarHBondContact O-CG2 3.44Å; F259-I261 PolarHBondContact O-N 2.8Å; F259-M277 HydrophobicContact CE1-CE 4.43Å; F259-M277 HydrophobicContact CE2-CE 4.26Å; F259-M277 HydrophobicContact CZ-CE 3.99Å; F259-L285 HydrophobicContact CE2-CD1 4.03Å; F259-L285 HydrophobicContact CZ-CD1 4.38Å; F259-T331 WeakPolarHBondContact CE2-O 3.16Å
260	N	97.3	Very high	95.5	Very high	35 Å²	35	49.8 Å²	49.8	19%	0.187	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	37	174.1	-163.7	29.6	0	0	0	114.4	M277 G332 S335	N260-M277 HydrophobicContact CB-CE 3.65Å; N260-M277 WeakPolarHBondContact OD1-CB 3.47Å; N260-M277 WeakPolarHBondContact OD1-CG 3.39Å; N260-M277 PolarHBondContact OD1-N 3.32Å; N260-G332 PolarHBondContact N-O 3.28Å; N260-S335 PolarHBondContact OD1-OG 2.79Å
261	I	96.3	Very high	95.4	Very high	54 Å²	54	46.6 Å²	46.6	28%	0.277	22%	0.224	S	C	.	.			trans	-110.8	149.8	174.6	68.5	165.7	0	0	0	110.6	N258 F259 G263 F334 S335 I488	N258-I261 HydrophobicContact CB-CD1 4.42Å; F259-I261 WeakPolarHBondContact O-CG2 3.44Å; F259-I261 PolarHBondContact O-N 2.8Å; I261-G263 PolarHBondContact O-N 3.12Å; I261-F334 HydrophobicContact CD1-CD1 4.13Å; I261-F334 HydrophobicContact CD1-CE1 4.04Å; I261-F334 HydrophobicContact CG1-CD1 3.86Å; I261-F334 HydrophobicContact CG1-CE1 4.27Å; I261-F334 CarbonylContact O-C 3.59Å; I261-F334 WeakPolarHBondContact O-CA 3.27Å; I261-S335 PolarHBondContact O-OG 2.97Å; I261-I488 HydrophobicContact CD1-CD1 4.43Å; I261-I488 HydrophobicContact CD1-CG1 4.24Å; I261-I488 HydrophobicContact CD1-CG2 4.17Å
262	H	94.3	Very high	95.1	Very high	83 Å²	83	51 Å²	51	38%	0.384	24%	0.242	S	C	.	.			trans	-82.2	123	-177.9	-170.9	-90.2	0	0	0	109.5	T264 R271 T275	H262-T264 VanDerWaalsContact C-N 3.29Å; H262-T264 WeakPolarHBondContact ND1-CG2 3.25Å; H262-T264 PolarHBondContact O-N 3.21Å; H262-R271 PolarHBondContact CE1-O 2.94Å; H262-R271 PolarHBondContact NE2-O 2.81Å; H262-R271 VanDerWaalsContact NE2-O 3.17Å; H262-T275 HydrophobicContact CB-CG2 3.76Å
263	G	92.7	Very high	94.9	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.01	22%	0.22	C	C	.	.			trans	-81.9	59.6	-177.8	0	0	0	0	0	114.7	I261 N265 K266 R271	I261-G263 PolarHBondContact O-N 3.12Å; G263-N265 PolarHBondContact O-N 2.94Å; G263-N265 VanDerWaalsContact O-N 3.09Å; G263-K266 WeakPolarHBondContact O-CB 3.49Å; G263-K266 PolarHBondContact O-N 3.28Å; G263-K266 VanDerWaalsContact O-N 3.16Å; G263-R271 WeakPolarHBondContact O-CG 3.49Å
264	T	92.3	Very high	94.7	Very high	102 Å²	102	50.7 Å²	50.7	63%	0.626	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-27	-173.4	51.7	0	0	0	0	115.2	H262 R271	H262-T264 VanDerWaalsContact C-N 3.29Å; H262-T264 WeakPolarHBondContact ND1-CG2 3.25Å; H262-T264 PolarHBondContact O-N 3.21Å; T264-R271 WeakPolarHBondContact O-CD 3.37Å
265	N	93.3	Very high	94.6	Very high	55 Å²	55	51.1 Å²	51.1	29%	0.294	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	18.4	-176.1	64.9	-19	0	0	0	113.7	G263 F475 I488 N490	G263-N265 PolarHBondContact O-N 2.94Å; G263-N265 VanDerWaalsContact O-N 3.09Å; N265-F475 WeakPolarHBondContact O-CZ 3.43Å; N265-I488 PolarHBondContact ND2-O 2.98Å; N265-I488 PolarHBondContact OD1-O 3.4Å; N265-N490 PolarHBondContact ND2-N 3.25Å; N265-N490 VanDerWaalsContact ND2-N 3.15Å; N265-N490 WeakPolarHBondContact O-CB 3.32Å; N265-N490 PolarHBondContact O-ND2 3.49Å
266	K	95.7	Very high	94.5	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.009	25%	0.252	C	S	.	.	S	Bend	trans	-107.8	176.9	-176.8	-63.2	175.9	-177.1	-79	0	111	G263 I270 R271 F334 Y344 F475 E477 Y479 Q487	G263-K266 WeakPolarHBondContact O-CB 3.49Å; G263-K266 PolarHBondContact O-N 3.28Å; G263-K266 VanDerWaalsContact O-N 3.16Å; K266-I270 HydrophobicContact CB-CB 3.91Å; K266-I270 HydrophobicContact CB-CG1 4.42Å; K266-I270 HydrophobicContact CB-CG2 4.15Å; K266-I270 HydrophobicContact CD-CB 4.17Å; K266-I270 HydrophobicContact CD-CG2 3.55Å; K266-I270 HydrophobicContact CG-CG2 4.47Å; K266-R271 WeakPolarHBondContact O-CD 3.49Å; K266-R271 WeakPolarHBondContact O-CG 3.42Å; K266-R271 PolarHBondContact O-NE 3.13Å; K266-F334 HydrophobicContact CD-CD1 4.03Å; K266-F334 HydrophobicContact CD-CD2 4.28Å; K266-F334 HydrophobicContact CD-CE1 4.2Å; K266-F334 HydrophobicContact CD-CE2 4.43Å; K266-F334 HydrophobicContact CD-CG 4.08Å; K266-F334 HydrophobicContact CD-CZ 4.4Å; K266-F334 VanDerWaalsContact CE-CZ 3.43Å; K266-Y344 WeakPolarHBondContact CD-OH 3.26Å; K266-F475 VanDerWaalsContact C-CZ 3.49Å; K266-F475 WeakPolarHBondContact O-CZ 3.41Å; K266-E477 WeakPolarHBondContact CA-OE1 3.4Å; K266-E477 WeakPolarHBondContact CB-OE1 3.42Å; K266-Y479 PolarHBondContact NZ-OH 3.46Å; K266-Q487 PolarHBondContact NZ-O 3.47Å
267	H	94.7	Very high	94.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.24	C	C	.	.			trans	-58.2	162.7	173.2	68	-83	0	0	0	111.5	L269 I270 R271 Q342 F469 F475 E477	H267-L269 VanDerWaalsContact C-N 3.29Å; H267-L269 PolarHBondContact O-N 3.49Å; H267-I270 WeakPolarHBondContact CE1-CG1 3.21Å; H267-I270 PolarHBondContact O-N 2.92Å; H267-R271 PolarHBondContact O-N 2.76Å; H267-Q342 PolarHBondContact CE1-OE1 3.36Å; H267-Q342 PolarHBondContact NE2-OE1 3.22Å; H267-F469 HydrophobicContact CB-CD1 3.97Å; H267-F469 HydrophobicContact CB-CD2 3.89Å; H267-F469 HydrophobicContact CB-CE1 3.6Å; H267-F469 HydrophobicContact CB-CE2 3.51Å; H267-F469 HydrophobicContact CB-CG 4.11Å; H267-F469 HydrophobicContact CB-CZ 3.35Å; H267-F469 AromaticContact CD2-CE1 3.32Å; H267-F469 WeakPolarHBondContact CD2-CE1 3.27Å; H267-F469 AromaticContact CD2-CZ 3.5Å; H267-F469 AromaticContact CE1-CZ 3.64Å; H267-F469 AromaticContact CG-CE1 3.38Å; H267-F469 AromaticContact CG-CE2 3.77Å; H267-F469 AromaticContact CG-CZ 3.11Å; H267-F469 AromaticContact ND1-CE1 3.92Å; H267-F469 AromaticContact ND1-CE2 3.89Å; H267-F469 AromaticContact ND1-CZ 3.24Å; H267-F469 WeakPolarHBondContact ND1-CZ 3.49Å; H267-F469 AromaticContact NE2-CE1 3.85Å; H267-F469 AromaticContact NE2-CZ 3.85Å; H267-F475 HydrophobicContact CB-CD1 3.91Å; H267-F475 HydrophobicContact CB-CE1 4.42Å; H267-F475 VanDerWaalsContact N-CE1 3.28Å; H267-E477 IonicContact CG-OE1 3.09Å; H267-E477 PolarHBondContact N-OE1 3.38Å; H267-E477 IonicContact ND1-OE1 3.55Å; H267-E477 PolarHBondContact ND1-OE1 3.49Å
268	W	92.4	Very high	94.6	Very high	27 Å²	27	42.3 Å²	42.3	10%	0.102	22%	0.217	C	C	.	.	H	α-helix	trans	-57.6	-37.5	-165.2	75.9	-85.2	0	0	0	113.4	R271 Q272 V435 A447 N449	W268-R271 WeakPolarHBondContact O-CB 3.45Å; W268-R271 PolarHBondContact O-N 2.82Å; W268-Q272 HydrophobicContact CE3-CG 4.37Å; W268-Q272 VanDerWaalsContact CE3-NE2 3.34Å; W268-Q272 VanDerWaalsContact CZ3-OE1 3.23Å; W268-Q272 WeakPolarHBondContact O-CG 3.42Å; W268-Q272 PolarHBondContact O-N 3.12Å; W268-V435 HydrophobicContact CH2-CG1 4.31Å; W268-A447 HydrophobicContact CH2-CB 3.35Å; W268-A447 HydrophobicContact CZ2-CB 3.26Å; W268-N449 VanDerWaalsContact CZ2-CG 3.41Å; W268-N449 WeakPolarHBondContact CZ2-OD1 3.22Å; W268-N449 PolarHBondContact NE1-ND2 3.26Å; W268-N449 PolarHBondContact NE1-O 3.28Å; W268-N449 PolarHBondContact NE1-OD1 2.8Å
269	L	92.8	Very high	94.6	Very high	4 Å²	4	48 Å²	48	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-63.6	-48.6	-176.9	-175	66.6	0	0	0	111.1	H267 R271 Q272 A273 C444 A447 N450	H267-L269 VanDerWaalsContact C-N 3.29Å; H267-L269 PolarHBondContact O-N 3.49Å; L269-R271 VanDerWaalsContact C-N 3.29Å; L269-R271 PolarHBondContact O-N 2.65Å; L269-Q272 PolarHBondContact O-N 3.06Å; L269-A273 PolarHBondContact O-N 2.8Å; L269-C444 HydrophobicContact CD1-CB 4.31Å; L269-C444 WeakPolarHBondContact CD1-O 3.3Å; L269-A447 HydrophobicContact CD1-CB 4.48Å; L269-N450 HydrophobicContact CD2-CB 4.19Å
270	I	94.6	Very high	94.5	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.3	-34.9	177.7	-53.4	-67.5	0	0	0	111.6	K266 H267 Q272 A273 F334 L336 Y344	K266-I270 HydrophobicContact CB-CB 3.91Å; K266-I270 HydrophobicContact CB-CG1 4.42Å; K266-I270 HydrophobicContact CB-CG2 4.15Å; K266-I270 HydrophobicContact CD-CB 4.17Å; K266-I270 HydrophobicContact CD-CG2 3.55Å; K266-I270 HydrophobicContact CG-CG2 4.47Å; H267-I270 WeakPolarHBondContact CE1-CG1 3.21Å; H267-I270 PolarHBondContact O-N 2.92Å; I270-Q272 PolarHBondContact O-N 3.32Å; I270-A273 PolarHBondContact O-N 2.75Å; I270-F334 HydrophobicContact CG2-CB 3.46Å; I270-F334 VanDerWaalsContact CG2-CB 3.46Å; I270-F334 HydrophobicContact CG2-CG 4.09Å; I270-L336 HydrophobicContact CD1-CD1 3.37Å; I270-L336 HydrophobicContact CD1-CD2 4.1Å; I270-L336 HydrophobicContact CD1-CG 3.84Å; I270-Y344 HydrophobicContact CD1-CE2 4.07Å; I270-Y344 HydrophobicContact CG1-CE2 4.16Å
271	R	94.3	Very high	94.5	Very high	72 Å²	72	48.4 Å²	48.4	27%	0.272	26%	0.256	S	S	.	.	H	α-helix	trans	-64.3	-20.8	175.2	-75.7	-176.7	-69.7	172.5	-1.7	113.2	H262 G263 T264 K266 H267 W268 L269 E473	H262-R271 PolarHBondContact CE1-O 2.94Å; H262-R271 PolarHBondContact NE2-O 2.81Å; H262-R271 VanDerWaalsContact NE2-O 3.17Å; G263-R271 WeakPolarHBondContact O-CG 3.49Å; T264-R271 WeakPolarHBondContact O-CD 3.37Å; K266-R271 WeakPolarHBondContact O-CD 3.49Å; K266-R271 WeakPolarHBondContact O-CG 3.42Å; K266-R271 PolarHBondContact O-NE 3.13Å; H267-R271 PolarHBondContact O-N 2.76Å; W268-R271 WeakPolarHBondContact O-CB 3.45Å; W268-R271 PolarHBondContact O-N 2.82Å; L269-R271 VanDerWaalsContact C-N 3.29Å; L269-R271 PolarHBondContact O-N 2.65Å; R271-E473 IonicContact CZ-OE1 3.53Å; R271-E473 IonicContact CZ-OE2 3.6Å; R271-E473 IonicContact NH1-OE1 3.36Å; R271-E473 IonicContact NH1-OE2 2.58Å; R271-E473 PolarHBondContact NH1-OE2 3.01Å; R271-E473 IonicContact NH2-OE1 2.82Å; R271-E473 PolarHBondContact NH2-OE1 2.88Å; R271-E473 IonicContact NH2-OE2 3.45Å; R271-E473 PolarHBondContact NH2-OE2 3.11Å
272	Q	90.9	Very high	94.6	Very high	130 Å²	130	47.2 Å²	47.2	61%	0.607	25%	0.25	S	S	*	.	H	α-helix	trans	-94.4	-10.7	-179.6	-70	-175.1	5.9	0	0	113.6	W268 L269 I270 K274	W268-Q272 HydrophobicContact CE3-CG 4.37Å; W268-Q272 VanDerWaalsContact CE3-NE2 3.34Å; W268-Q272 VanDerWaalsContact CZ3-OE1 3.23Å; W268-Q272 WeakPolarHBondContact O-CG 3.42Å; W268-Q272 PolarHBondContact O-N 3.12Å; L269-Q272 PolarHBondContact O-N 3.06Å; I270-Q272 PolarHBondContact O-N 3.32Å; Q272-K274 PolarHBondContact O-N 3.22Å
273	A	92.4	Very high	94.7	Very high	5 Å²	5	49.9 Å²	49.9	4%	0.041	26%	0.263	C	S	.	.	S	Bend	trans	-59.8	126.5	-178.9	0	0	0	0	0	111.4	L269 I270 T275 L336 V443	L269-A273 PolarHBondContact O-N 2.8Å; I270-A273 PolarHBondContact O-N 2.75Å; A273-T275 PolarHBondContact O-N 3.22Å; A273-T275 PolarHBondContact O-OG1 2.76Å; A273-L336 HydrophobicContact CB-CD2 4.13Å; A273-V443 HydrophobicContact CB-CG1 4.22Å
274	K	93.2	Very high	95	Very high	106 Å²	106	52.7 Å²	52.7	46%	0.461	28%	0.275	S	S	.	.			trans	-58.8	108	177.7	-178	-178.3	178.1	-178.5	0	110	Q272 P276 M277 V443	Q272-K274 PolarHBondContact O-N 3.22Å; K274-P276 CarbonylContact O-C 3.11Å; K274-M277 PolarHBondContact O-N 3.15Å; K274-V443 HydrophobicContact CB-CG2 3.92Å
275	T	95	Very high	95.2	Very high	43 Å²	43	47.9 Å²	47.9	26%	0.264	25%	0.245	S	C	.	.	S	Bend	trans	-124.5	132.8	-177.7	-53.6	0	0	0	0	111.5	H262 A273 S335	H262-T275 HydrophobicContact CB-CG2 3.76Å; A273-T275 PolarHBondContact O-N 3.22Å; A273-T275 PolarHBondContact O-OG1 2.76Å; T275-S335 WeakPolarHBondContact CB-OG 3.48Å; T275-S335 VanDerWaalsContact CG2-OG 3.24Å; T275-S335 WeakPolarHBondContact CG2-OG 3.38Å; T275-S335 WeakPolarHBondContact OG1-CB 3.38Å; T275-S335 PolarHBondContact OG1-OG 3.3Å
276	P	95.8	Very high	95.4	Very high	94 Å²	94	45.8 Å²	45.8	61%	0.61	23%	0.234	S	C	*	.	S	Bend	cis	-67.7	152.2	-5.5	30.3	-35.2	0	0	0	111.6	K274	K274-P276 CarbonylContact O-C 3.11Å
277	M	97	Very high	95.5	Very high	10 Å²	10	48.8 Å²	48.8	5%	0.049	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-55.5	148	166.1	-69	-174.5	-74.5	0	0	109.9	F259 N260 K274 I282 L285 P337	F259-M277 HydrophobicContact CE1-CE 4.43Å; F259-M277 HydrophobicContact CE2-CE 4.26Å; F259-M277 HydrophobicContact CZ-CE 3.99Å; N260-M277 HydrophobicContact CB-CE 3.65Å; N260-M277 WeakPolarHBondContact OD1-CB 3.47Å; N260-M277 WeakPolarHBondContact OD1-CG 3.39Å; N260-M277 PolarHBondContact OD1-N 3.32Å; K274-M277 PolarHBondContact O-N 3.15Å; M277-I282 HydrophobicContact CB-CD1 4.43Å; M277-I282 HydrophobicContact CB-CG1 4.07Å; M277-I282 HydrophobicContact CE-CG1 4.32Å; M277-L285 HydrophobicContact CE-CD2 3.78Å; M277-L285 HydrophobicContact SD-CD2 3.73Å; M277-P337 HydrophobicContact SD-CB 4.42Å; M277-P337 HydrophobicContact SD-CG 4.12Å
278	T	96.7	Very high	95.7	Very high	33 Å²	33	48.8 Å²	48.8	20%	0.202	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-67.4	160.5	173.4	65.4	0	0	0	0	110.7	S280 S281 I282 D441	T278-S280 PolarHBondContact O-N 3.05Å; T278-S280 PolarHBondContact OG1-OG 3.1Å; T278-S281 PolarHBondContact O-N 2.73Å; T278-S281 WeakPolarHBondContact OG1-CB 3.43Å; T278-S281 PolarHBondContact OG1-N 3.1Å; T278-S281 PolarHBondContact OG1-OG 2.94Å; T278-I282 WeakPolarHBondContact O-CG1 3.45Å; T278-I282 PolarHBondContact O-N 3.26Å; T278-D441 VanDerWaalsContact CB-OD2 3.32Å; T278-D441 WeakPolarHBondContact CB-OD2 3.1Å; T278-D441 WeakPolarHBondContact CG2-OD2 3.43Å; T278-D441 PolarHBondContact OG1-OD2 3.1Å
279	N	96.9	Very high	95.9	Very high	127 Å²	127	47.6 Å²	47.6	68%	0.679	25%	0.246	S	C	*	.	H	α-helix	trans	-61.2	-32.2	172.4	-72	-17.9	0	0	0	112.3	I282 Q283	N279-I282 PolarHBondContact O-N 2.84Å; N279-Q283 WeakPolarHBondContact O-CB 3.13Å; N279-Q283 VanDerWaalsContact O-CG 3.25Å; N279-Q283 WeakPolarHBondContact O-CG 3.39Å; N279-Q283 PolarHBondContact O-N 3.34Å
280	S	96.6	Very high	96.2	Very high	66 Å²	66	49.8 Å²	49.8	46%	0.462	25%	0.254	S	S	.	.	H	α-helix	trans	-64.7	-45.2	175.6	40.3	0	0	0	0	111.7	T278 Q283 F284 D441	T278-S280 PolarHBondContact O-N 3.05Å; T278-S280 PolarHBondContact OG1-OG 3.1Å; S280-Q283 PolarHBondContact O-N 3.22Å; S280-F284 VanDerWaalsContact O-CB 3.29Å; S280-F284 WeakPolarHBondContact O-CB 3.31Å; S280-F284 PolarHBondContact O-N 3.01Å; S280-D441 PolarHBondContact OG-OD2 2.65Å
281	S	96.8	Very high	96.4	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.014	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-42.2	175.4	-66.3	0	0	0	0	111.9	T278 F284 L285 P440 D441	T278-S281 PolarHBondContact O-N 2.73Å; T278-S281 WeakPolarHBondContact OG1-CB 3.43Å; T278-S281 PolarHBondContact OG1-N 3.1Å; T278-S281 PolarHBondContact OG1-OG 2.94Å; S281-F284 PolarHBondContact O-N 2.89Å; S281-L285 WeakPolarHBondContact O-CD2 3.11Å; S281-L285 WeakPolarHBondContact O-CG 3.24Å; S281-L285 PolarHBondContact O-N 3.36Å; S281-P440 WeakPolarHBondContact OG-CG 3.5Å; S281-D441 PolarHBondContact OG-OD2 2.92Å
282	I	98.1	Very high	96.5	Very high	29 Å²	29	50.1 Å²	50.1	15%	0.149	26%	0.257	C	S	.	.	H	α-helix	trans	-63.9	-45.2	177.3	-66.1	170.9	0	0	0	111.4	M277 T278 N279 F284 L285 D286	M277-I282 HydrophobicContact CB-CD1 4.43Å; M277-I282 HydrophobicContact CB-CG1 4.07Å; M277-I282 HydrophobicContact CE-CG1 4.32Å; T278-I282 WeakPolarHBondContact O-CG1 3.45Å; T278-I282 PolarHBondContact O-N 3.26Å; N279-I282 PolarHBondContact O-N 2.84Å; I282-F284 VanDerWaalsContact C-N 3.31Å; I282-F284 PolarHBondContact O-N 3.34Å; I282-L285 WeakPolarHBondContact O-CG 3.47Å; I282-L285 PolarHBondContact O-N 2.93Å; I282-D286 WeakPolarHBondContact O-CB 3.36Å; I282-D286 VanDerWaalsContact O-CG 3.24Å; I282-D286 PolarHBondContact O-N 3.33Å
283	Q	97.4	Very high	96.9	Very high	140 Å²	140	45.1 Å²	45.1	65%	0.654	23%	0.233	S	C	*	.	H	α-helix	trans	-63.4	-39.7	176.4	-74.2	174.2	7.6	0	0	111.9	N279 S280 N287	N279-Q283 WeakPolarHBondContact O-CB 3.13Å; N279-Q283 VanDerWaalsContact O-CG 3.25Å; N279-Q283 WeakPolarHBondContact O-CG 3.39Å; N279-Q283 PolarHBondContact O-N 3.34Å; S280-Q283 PolarHBondContact O-N 3.22Å; Q283-N287 WeakPolarHBondContact O-CB 3.13Å; Q283-N287 PolarHBondContact O-N 3.46Å; Q283-N287 VanDerWaalsContact O-N 3.12Å
284	F	97.4	Very high	97.2	Very high	60 Å²	60	45.5 Å²	45.5	26%	0.263	23%	0.234	S	C	.	.	H	α-helix	trans	-62.8	-52.4	177.3	176	-88.4	0	0	0	111.5	W238 S280 S281 I282 D286 N287 A288 I338 F439 P440	W238-F284 HydrophobicContact CH2-CZ 4.36Å; W238-F284 HydrophobicContact CZ3-CZ 4.16Å; S280-F284 VanDerWaalsContact O-CB 3.29Å; S280-F284 WeakPolarHBondContact O-CB 3.31Å; S280-F284 PolarHBondContact O-N 3.01Å; S281-F284 PolarHBondContact O-N 2.89Å; I282-F284 VanDerWaalsContact C-N 3.31Å; I282-F284 PolarHBondContact O-N 3.34Å; F284-D286 VanDerWaalsContact C-N 3.32Å; F284-D286 PolarHBondContact O-N 3.25Å; F284-N287 WeakPolarHBondContact O-CB 3.46Å; F284-N287 PolarHBondContact O-N 3.18Å; F284-A288 PolarHBondContact O-N 2.98Å; F284-I338 HydrophobicContact CD1-CG1 4.44Å; F284-I338 HydrophobicContact CE1-CD1 3.51Å; F284-I338 HydrophobicContact CE1-CG1 3.79Å; F284-I338 HydrophobicContact CE1-CG2 4.43Å; F284-I338 HydrophobicContact CZ-CD1 4.12Å; F284-F439 HydrophobicContact CD1-CE1 4.38Å; F284-F439 HydrophobicContact CD2-CE1 4.45Å; F284-F439 HydrophobicContact CD2-CZ 4.37Å; F284-F439 AromaticContact CE1-CE1 3.77Å; F284-F439 HydrophobicContact CE1-CE1 3.77Å; F284-F439 AromaticContact CE2-CE1 3.82Å; F284-F439 HydrophobicContact CE2-CE1 3.82Å; F284-F439 AromaticContact CE2-CZ 3.96Å; F284-F439 HydrophobicContact CE2-CZ 3.96Å; F284-F439 AromaticContact CZ-CE1 3.47Å; F284-F439 HydrophobicContact CZ-CE1 3.47Å; F284-F439 VanDerWaalsContact CZ-CE1 3.47Å; F284-F439 HydrophobicContact CZ-CZ 4.1Å; F284-P440 HydrophobicContact CD1-CG 4.06Å; F284-P440 HydrophobicContact CG-CG 4.49Å
285	L	97.6	Very high	97.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.5	-34.3	-178.8	69.6	84.5	0	0	0	112.1	A253 F259 M277 S281 I282 N287 A288 F289 P337 I338	A253-L285 HydrophobicContact CB-CD1 3.74Å; F259-L285 HydrophobicContact CE2-CD1 4.03Å; F259-L285 HydrophobicContact CZ-CD1 4.38Å; M277-L285 HydrophobicContact CE-CD2 3.78Å; M277-L285 HydrophobicContact SD-CD2 3.73Å; S281-L285 WeakPolarHBondContact O-CD2 3.11Å; S281-L285 WeakPolarHBondContact O-CG 3.24Å; S281-L285 PolarHBondContact O-N 3.36Å; I282-L285 WeakPolarHBondContact O-CG 3.47Å; I282-L285 PolarHBondContact O-N 2.93Å; L285-N287 VanDerWaalsContact C-N 3.35Å; L285-A288 PolarHBondContact O-N 2.92Å; L285-F289 WeakPolarHBondContact O-CB 3.46Å; L285-F289 PolarHBondContact O-N 2.98Å; L285-P337 WeakPolarHBondContact CB-O 3.36Å; L285-I338 HydrophobicContact CB-CG2 3.78Å
286	D	98.1	Very high	97.6	Very high	11 Å²	11	38.4 Å²	38.4	6%	0.059	20%	0.199	C	C	.	.	H	α-helix	trans	-67.7	-38.4	176.9	-76.4	-30.5	0	0	0	111.9	F252 A253 R255 I282 F284 R290	F252-D286 HydrophobicContact CD1-CB 3.98Å; F252-D286 WeakPolarHBondContact CD1-OD2 3.35Å; A253-D286 PolarHBondContact N-OD1 2.99Å; R255-D286 IonicContact CZ-OD1 2.68Å; R255-D286 VanDerWaalsContact CZ-OD1 3.26Å; R255-D286 IonicContact CZ-OD2 2.91Å; R255-D286 IonicContact NH1-OD1 3.05Å; R255-D286 PolarHBondContact NH1-OD1 2.98Å; R255-D286 IonicContact NH1-OD2 3.25Å; R255-D286 IonicContact NH2-OD1 2.71Å; R255-D286 PolarHBondContact NH2-OD1 3.33Å; R255-D286 IonicContact NH2-OD2 3.12Å; R255-D286 PolarHBondContact NH2-OD2 3.04Å; I282-D286 WeakPolarHBondContact O-CB 3.36Å; I282-D286 VanDerWaalsContact O-CG 3.24Å; I282-D286 PolarHBondContact O-N 3.33Å; F284-D286 VanDerWaalsContact C-N 3.32Å; F284-D286 PolarHBondContact O-N 3.25Å; D286-R290 WeakPolarHBondContact O-CB 3.14Å; D286-R290 PolarHBondContact O-N 3.09Å
287	N	97.6	Very high	97.8	Very high	66 Å²	66	35.2 Å²	35.2	35%	0.353	18%	0.177	S	C	.	.	H	α-helix	trans	-66.1	-41.5	173.4	-178.2	53.9	0	0	0	111.2	Q283 F284 L285 R290 K291	Q283-N287 WeakPolarHBondContact O-CB 3.13Å; Q283-N287 PolarHBondContact O-N 3.46Å; Q283-N287 VanDerWaalsContact O-N 3.12Å; F284-N287 WeakPolarHBondContact O-CB 3.46Å; F284-N287 PolarHBondContact O-N 3.18Å; L285-N287 VanDerWaalsContact C-N 3.35Å; N287-R290 PolarHBondContact O-N 3.11Å; N287-K291 WeakPolarHBondContact O-CB 3.26Å; N287-K291 VanDerWaalsContact O-CG 3.29Å; N287-K291 WeakPolarHBondContact O-CG 3.22Å; N287-K291 PolarHBondContact O-N 3.23Å; N287-K291 WeakPolarHBondContact OD1-CE 3.44Å
288	A	97.6	Very high	97.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.6	-50.5	173.9	0	0	0	0	0	111.1	W238 F284 L285 R290 K291 R292 I338	W238-A288 HydrophobicContact CD2-CB 4.37Å; W238-A288 HydrophobicContact CE3-CB 4.04Å; W238-A288 HydrophobicContact CH2-CB 3.81Å; W238-A288 HydrophobicContact CZ2-CB 4.14Å; W238-A288 HydrophobicContact CZ3-CB 3.75Å; F284-A288 PolarHBondContact O-N 2.98Å; L285-A288 PolarHBondContact O-N 2.92Å; A288-R290 VanDerWaalsContact C-N 3.34Å; A288-R290 PolarHBondContact O-N 2.58Å; A288-K291 PolarHBondContact O-N 3.04Å; A288-K291 VanDerWaalsContact O-N 3.17Å; A288-R292 WeakPolarHBondContact O-CB 3.49Å; A288-R292 WeakPolarHBondContact O-CG 3.4Å; A288-R292 PolarHBondContact O-N 3.24Å; A288-I338 HydrophobicContact CB-CG2 4.25Å
289	F	98.1	Very high	98	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	17%	0.165	C	C	.	.	H	α-helix	trans	-54.8	-47.1	177.2	-176.7	-93.7	0	0	0	112.5	L61 V251 F252 A253 P254 L285 R292 W293 T331	L61-F289 HydrophobicContact CB-CE2 4.29Å; L61-F289 WeakPolarHBondContact O-CE2 2.99Å; L61-F289 WeakPolarHBondContact O-CZ 3.42Å; V251-F289 HydrophobicContact CG1-CD1 4.04Å; V251-F289 HydrophobicContact CG1-CE1 3.66Å; F252-F289 WeakPolarHBondContact O-CE1 3.04Å; A253-F289 HydrophobicContact CB-CB 3.88Å; A253-F289 HydrophobicContact CB-CD1 4.33Å; A253-F289 HydrophobicContact CB-CD2 3.92Å; A253-F289 HydrophobicContact CB-CG 3.77Å; P254-F289 VanDerWaalsContact CD-CZ 3.49Å; P254-F289 HydrophobicContact CG-CE2 4.34Å; P254-F289 HydrophobicContact CG-CZ 4.12Å; L285-F289 WeakPolarHBondContact O-CB 3.46Å; L285-F289 PolarHBondContact O-N 2.98Å; F289-R292 WeakPolarHBondContact O-CB 3.32Å; F289-R292 PolarHBondContact O-N 3.47Å; F289-W293 HydrophobicContact CE1-CD2 4.05Å; F289-W293 AromaticContact CE1-CE2 3.56Å; F289-W293 HydrophobicContact CE1-CH2 4.23Å; F289-W293 AromaticContact CE1-CZ2 3.67Å; F289-W293 HydrophobicContact CE1-CZ2 3.67Å; F289-W293 AromaticContact CE1-NE1 3.77Å; F289-W293 AromaticContact CE2-NE1 3.87Å; F289-W293 HydrophobicContact CZ-CD2 4.32Å; F289-W293 AromaticContact CZ-CE2 3.4Å; F289-W293 VanDerWaalsContact CZ-CE2 3.4Å; F289-W293 HydrophobicContact CZ-CH2 4.34Å; F289-W293 AromaticContact CZ-CZ2 3.42Å; F289-W293 HydrophobicContact CZ-CZ2 3.42Å; F289-W293 VanDerWaalsContact CZ-CZ2 3.42Å; F289-W293 AromaticContact CZ-NE1 3.34Å; F289-W293 VanDerWaalsContact CZ-NE1 3.34Å; F289-W293 PolarHBondContact O-N 2.88Å; F289-T331 HydrophobicContact CB-CG2 4.21Å; F289-T331 HydrophobicContact CD2-CG2 4.04Å
290	R	98.1	Very high	98.1	Very high	51 Å²	51	27.5 Å²	27.5	19%	0.192	14%	0.135	C	C	.	.	H	α-helix	trans	-60.1	-48.8	176.3	-176.5	-175.6	-53.4	159.3	8	112	F248 Q249 V251 D286 N287 A288 R292 W293 Q294	F248-R290 HydrophobicContact CB-CG 4.15Å; F248-R290 VanDerWaalsContact O-CD 3.27Å; F248-R290 WeakPolarHBondContact O-CD 3.14Å; F248-R290 WeakPolarHBondContact O-CG 3.29Å; F248-R290 PolarHBondContact O-NE 2.98Å; Q249-R290 PolarHBondContact O-NE 2.88Å; Q249-R290 PolarHBondContact O-NH1 2.93Å; Q249-R290 VanDerWaalsContact O-NH1 3.13Å; Q249-R290 PolarHBondContact O-NH2 2.71Å; V251-R290 PolarHBondContact O-NE 2.83Å; V251-R290 PolarHBondContact O-NH2 3.05Å; D286-R290 WeakPolarHBondContact O-CB 3.14Å; D286-R290 PolarHBondContact O-N 3.09Å; N287-R290 PolarHBondContact O-N 3.11Å; A288-R290 VanDerWaalsContact C-N 3.34Å; A288-R290 PolarHBondContact O-N 2.58Å; R290-R292 VanDerWaalsContact C-N 3.32Å; R290-R292 PolarHBondContact O-N 3.33Å; R290-W293 PolarHBondContact O-N 3.2Å; R290-Q294 WeakPolarHBondContact O-CG 3.18Å; R290-Q294 PolarHBondContact O-N 3.28Å
291	K	98.1	Very high	98.2	Very high	76 Å²	76	25.2 Å²	25.2	33%	0.33	12%	0.118	S	C	.	.	H	α-helix	trans	-65.6	-35.5	-178.7	-72.8	-179.9	175.7	-173.6	0	112.3	W238 N287 A288 W293 Q294 T295	W238-K291 HydrophobicContact CB-CB 3.5Å; W238-K291 HydrophobicContact CB-CD 4.39Å; W238-K291 HydrophobicContact CG-CB 4.38Å; N287-K291 WeakPolarHBondContact O-CB 3.26Å; N287-K291 VanDerWaalsContact O-CG 3.29Å; N287-K291 WeakPolarHBondContact O-CG 3.22Å; N287-K291 PolarHBondContact O-N 3.23Å; N287-K291 WeakPolarHBondContact OD1-CE 3.44Å; A288-K291 PolarHBondContact O-N 3.04Å; A288-K291 VanDerWaalsContact O-N 3.17Å; K291-W293 PolarHBondContact O-N 3.12Å; K291-Q294 WeakPolarHBondContact O-CB 3.43Å; K291-Q294 PolarHBondContact O-N 3.43Å; K291-Q294 VanDerWaalsContact O-N 3.15Å; K291-T295 WeakPolarHBondContact O-CG2 3.39Å; K291-T295 PolarHBondContact O-N 3.46Å
292	R	98.2	Very high	98.3	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.008	12%	0.117	C	C	.	.	H	α-helix	trans	-53.5	-52.6	169.9	-72.8	167	54.4	76.8	9.9	110.7	D56 D58 P234 W238 A288 F289 R290 Q294 T295 L296 Y329	D56-R292 VanDerWaalsContact O-CZ 3.31Å; D56-R292 PolarHBondContact O-NH1 2.74Å; D56-R292 VanDerWaalsContact O-NH1 3.11Å; D56-R292 PolarHBondContact O-NH2 3.28Å; D58-R292 IonicContact OD1-NH2 2.66Å; D58-R292 PolarHBondContact OD1-NH2 3.38Å; D58-R292 VanDerWaalsContact OD1-NH2 3.1Å; P234-R292 HydrophobicContact CB-CB 3.81Å; P234-R292 HydrophobicContact CB-CG 4.13Å; W238-R292 HydrophobicContact CD2-CG 4.5Å; W238-R292 HydrophobicContact CG-CG 4.02Å; W238-R292 VanDerWaalsContact NE1-CG 3.33Å; A288-R292 WeakPolarHBondContact O-CB 3.49Å; A288-R292 WeakPolarHBondContact O-CG 3.4Å; A288-R292 PolarHBondContact O-N 3.24Å; F289-R292 WeakPolarHBondContact O-CB 3.32Å; F289-R292 PolarHBondContact O-N 3.47Å; R290-R292 VanDerWaalsContact C-N 3.32Å; R290-R292 PolarHBondContact O-N 3.33Å; R292-Q294 VanDerWaalsContact C-N 3.32Å; R292-Q294 PolarHBondContact O-N 3.35Å; R292-T295 PolarHBondContact O-N 3.47Å; R292-T295 PolarHBondContact O-OG1 2.91Å; R292-L296 PolarHBondContact O-N 3.45Å; R292-Y329 VanDerWaalsContact CZ-CG 3.48Å; R292-Y329 VanDerWaalsContact NH2-CB 3.27Å
293	W	98.3	Very high	98.3	Very high	26 Å²	26	23.9 Å²	23.9	10%	0.098	11%	0.11	C	C	.	.	H	α-helix	trans	-61	-36.8	175.8	-79.2	20.6	0	0	0	113.7	G62 T65 P66 F248 V251 F289 R290 K291 L296	G62-W293 WeakPolarHBondContact O-CZ2 3.03Å; T65-W293 HydrophobicContact CG2-CH2 3.66Å; T65-W293 HydrophobicContact CG2-CZ2 4.26Å; T65-W293 HydrophobicContact CG2-CZ3 3.88Å; P66-W293 HydrophobicContact CB-CB 4.42Å; P66-W293 HydrophobicContact CG-CB 4.19Å; P66-W293 HydrophobicContact CG-CD2 4.4Å; P66-W293 HydrophobicContact CG-CG 4.02Å; F248-W293 AromaticContact CD1-CE3 3.88Å; F248-W293 HydrophobicContact CD1-CE3 3.88Å; F248-W293 HydrophobicContact CD1-CZ3 4.29Å; F248-W293 HydrophobicContact CD2-CB 3.81Å; F248-W293 HydrophobicContact CD2-CE3 4.28Å; F248-W293 HydrophobicContact CE1-CE3 4.07Å; F248-W293 HydrophobicContact CE1-CZ3 4.47Å; F248-W293 HydrophobicContact CE2-CB 3.97Å; F248-W293 HydrophobicContact CE2-CE3 4.44Å; F248-W293 AromaticContact CG-CE3 3.99Å; F248-W293 HydrophobicContact CG-CE3 3.99Å; F248-W293 HydrophobicContact CZ-CE3 4.35Å; V251-W293 HydrophobicContact CB-CZ3 4.49Å; V251-W293 HydrophobicContact CG1-CE3 3.9Å; V251-W293 HydrophobicContact CG1-CH2 4.09Å; V251-W293 HydrophobicContact CG1-CZ3 3.64Å; V251-W293 HydrophobicContact CG2-CE3 4.47Å; V251-W293 HydrophobicContact CG2-CZ3 4.13Å; F289-W293 HydrophobicContact CE1-CD2 4.05Å; F289-W293 AromaticContact CE1-CE2 3.56Å; F289-W293 HydrophobicContact CE1-CH2 4.23Å; F289-W293 AromaticContact CE1-CZ2 3.67Å; F289-W293 HydrophobicContact CE1-CZ2 3.67Å; F289-W293 AromaticContact CE1-NE1 3.77Å; F289-W293 AromaticContact CE2-NE1 3.87Å; F289-W293 HydrophobicContact CZ-CD2 4.32Å; F289-W293 AromaticContact CZ-CE2 3.4Å; F289-W293 VanDerWaalsContact CZ-CE2 3.4Å; F289-W293 HydrophobicContact CZ-CH2 4.34Å; F289-W293 AromaticContact CZ-CZ2 3.42Å; F289-W293 HydrophobicContact CZ-CZ2 3.42Å; F289-W293 VanDerWaalsContact CZ-CZ2 3.42Å; F289-W293 AromaticContact CZ-NE1 3.34Å; F289-W293 VanDerWaalsContact CZ-NE1 3.34Å; F289-W293 PolarHBondContact O-N 2.88Å; R290-W293 PolarHBondContact O-N 3.2Å; K291-W293 PolarHBondContact O-N 3.12Å; W293-L296 PolarHBondContact O-N 2.9Å
294	Q	98.6	Very high	98.4	Very high	12 Å²	12	19.4 Å²	19.4	6%	0.056	9%	0.089	C	C	.	.	H	α-helix	trans	-64.7	-38.9	176.7	-65.9	171.7	-13.7	0	0	112.3	A240 Y244 Q245 A247 F248 R290 K291 R292 L296 L297	A240-Q294 HydrophobicContact CB-CB 3.51Å; Y244-Q294 WeakPolarHBondContact O-CG 3.05Å; Q245-Q294 PolarHBondContact O-NE2 2.99Å; A247-Q294 HydrophobicContact CB-CG 4.35Å; A247-Q294 PolarHBondContact O-NE2 3.15Å; F248-Q294 HydrophobicContact CD2-CG 4.28Å; R290-Q294 WeakPolarHBondContact O-CG 3.18Å; R290-Q294 PolarHBondContact O-N 3.28Å; K291-Q294 WeakPolarHBondContact O-CB 3.43Å; K291-Q294 PolarHBondContact O-N 3.43Å; K291-Q294 VanDerWaalsContact O-N 3.15Å; R292-Q294 VanDerWaalsContact C-N 3.32Å; R292-Q294 PolarHBondContact O-N 3.35Å; Q294-L296 VanDerWaalsContact C-N 3.34Å; Q294-L297 PolarHBondContact O-N 3.17Å
295	T	98.6	Very high	98.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-67.4	-33	176.7	58.6	0	0	0	0	113.2	Y181 P234 W238 A240 K291 R292 L297 S298	Y181-T295 HydrophobicContact CE1-CG2 3.68Å; P234-T295 WeakPolarHBondContact CA-OG1 3.25Å; W238-T295 VanDerWaalsContact C-CG2 3.49Å; A240-T295 HydrophobicContact CB-CG2 4.37Å; K291-T295 WeakPolarHBondContact O-CG2 3.39Å; K291-T295 PolarHBondContact O-N 3.46Å; R292-T295 PolarHBondContact O-N 3.47Å; R292-T295 PolarHBondContact O-OG1 2.91Å; T295-L297 VanDerWaalsContact C-N 3.25Å; T295-L297 PolarHBondContact O-N 2.68Å; T295-S298 PolarHBondContact O-N 2.86Å
296	L	98.8	Very high	98.5	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-64.9	-25.2	176.8	-76.1	171.5	0	0	0	113.2	T54 Q57 G63 P66 L67 P234 R292 W293 Q294 S298 V299 D300	T54-L296 HydrophobicContact CG2-CD2 4.31Å; Q57-L296 HydrophobicContact CG-CD1 4.38Å; Q57-L296 HydrophobicContact CG-CD2 4.48Å; G63-L296 VanDerWaalsContact O-CD1 3.3Å; G63-L296 WeakPolarHBondContact O-CD1 3.29Å; P66-L296 HydrophobicContact CB-CB 4.29Å; P66-L296 HydrophobicContact CG-CB 3.74Å; P66-L296 HydrophobicContact CG-CD1 3.66Å; P66-L296 HydrophobicContact CG-CG 4.36Å; L67-L296 HydrophobicContact CD1-CD2 4.33Å; L67-L296 HydrophobicContact CD2-CB 4.09Å; L67-L296 HydrophobicContact CD2-CD2 4.37Å; L67-L296 VanDerWaalsContact CD2-O 3.25Å; L67-L296 WeakPolarHBondContact CD2-O 3.19Å; L67-L296 HydrophobicContact CG-CB 4.39Å; P234-L296 HydrophobicContact CB-CD1 4.36Å; P234-L296 HydrophobicContact CB-CD2 4.4Å; P234-L296 HydrophobicContact CB-CG 4.04Å; P234-L296 HydrophobicContact CG-CD1 4.26Å; P234-L296 HydrophobicContact CG-CD2 4.27Å; P234-L296 HydrophobicContact CG-CG 4.24Å; R292-L296 PolarHBondContact O-N 3.45Å; W293-L296 PolarHBondContact O-N 2.9Å; Q294-L296 VanDerWaalsContact C-N 3.34Å; L296-S298 VanDerWaalsContact C-N 3.26Å; L296-S298 PolarHBondContact O-N 3.46Å; L296-V299 HydrophobicContact CD2-CG2 4.39Å; L296-V299 WeakPolarHBondContact O-CA 3.25Å; L296-V299 WeakPolarHBondContact O-CB 3.41Å; L296-V299 PolarHBondContact O-N 3.32Å; L296-D300 PolarHBondContact O-N 3.09Å
297	L	98.8	Very high	98.5	Very high	26 Å²	26	20 Å²	20	14%	0.136	9%	0.092	C	C	.	.	H	α-helix	trans	-62	-34.6	176.8	-69	173	0	0	0	112.3	P66 Y244 A247 F248 Q294 T295 V299 D300 D301	P66-L297 HydrophobicContact CB-CD2 4.16Å; P66-L297 HydrophobicContact CB-CG 4.5Å; Y244-L297 HydrophobicContact CD1-CB 3.78Å; Y244-L297 HydrophobicContact CD1-CD1 3.4Å; Y244-L297 VanDerWaalsContact CD1-CD1 3.4Å; Y244-L297 HydrophobicContact CD1-CG 4.21Å; Y244-L297 HydrophobicContact CD2-CB 3.54Å; Y244-L297 HydrophobicContact CD2-CD1 4.49Å; Y244-L297 HydrophobicContact CE1-CB 3.86Å; Y244-L297 HydrophobicContact CE1-CD1 3.99Å; Y244-L297 HydrophobicContact CE1-CG 4.46Å; Y244-L297 HydrophobicContact CE2-CB 3.62Å; Y244-L297 HydrophobicContact CG-CB 3.63Å; Y244-L297 HydrophobicContact CG-CD1 3.71Å; Y244-L297 HydrophobicContact CG-CG 4.33Å; A247-L297 HydrophobicContact CB-CD1 3.69Å; F248-L297 HydrophobicContact CD2-CD1 4.49Å; F248-L297 HydrophobicContact CE2-CD1 3.67Å; F248-L297 HydrophobicContact CE2-CD2 4.26Å; F248-L297 HydrophobicContact CE2-CG 4.02Å; F248-L297 HydrophobicContact CZ-CD1 4.28Å; F248-L297 HydrophobicContact CZ-CD2 4.24Å; F248-L297 HydrophobicContact CZ-CG 4.5Å; Q294-L297 PolarHBondContact O-N 3.17Å; T295-L297 VanDerWaalsContact C-N 3.25Å; T295-L297 PolarHBondContact O-N 2.68Å; L297-V299 VanDerWaalsContact C-N 3.33Å; L297-D300 WeakPolarHBondContact O-CB 3.45Å; L297-D300 PolarHBondContact O-N 3.4Å; L297-D301 PolarHBondContact O-N 2.92Å; L297-D301 VanDerWaalsContact O-N 3.11Å
298	S	98.8	Very high	98.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-70.2	-29.9	173.1	-58.8	0	0	0	0	112.7	Y203 T295 L296 L302	Y203-S298 WeakPolarHBondContact CE1-OG 3.29Å; Y203-S298 PolarHBondContact OH-OG 3.4Å; T295-S298 PolarHBondContact O-N 2.86Å; L296-S298 VanDerWaalsContact C-N 3.26Å; L296-S298 PolarHBondContact O-N 3.46Å; S298-L302 PolarHBondContact O-N 3.39Å; S298-L302 VanDerWaalsContact O-N 3.09Å
299	V	98.9	Very high	98.6	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.012	11%	0.107	C	C	.	.	H	α-helix	trans	-67.9	-42.2	171.8	-179	0	0	0	0	109.7	T54 L67 T205 T231 A233 L296 L297 D301 L302 V303 Y323	T54-V299 HydrophobicContact CG2-CG1 4.01Å; T54-V299 HydrophobicContact CG2-CG2 4.48Å; L67-V299 HydrophobicContact CD2-CB 4.3Å; L67-V299 HydrophobicContact CD2-CG1 4.46Å; T205-V299 HydrophobicContact CG2-CG2 4.3Å; T231-V299 HydrophobicContact CG2-CG2 4.4Å; A233-V299 HydrophobicContact CB-CG2 3.72Å; L296-V299 HydrophobicContact CD2-CG2 4.39Å; L296-V299 WeakPolarHBondContact O-CA 3.25Å; L296-V299 WeakPolarHBondContact O-CB 3.41Å; L296-V299 PolarHBondContact O-N 3.32Å; L297-V299 VanDerWaalsContact C-N 3.33Å; V299-D301 VanDerWaalsContact C-N 3.29Å; V299-D301 PolarHBondContact O-N 3.28Å; V299-L302 WeakPolarHBondContact O-CB 3.46Å; V299-L302 PolarHBondContact O-N 3.24Å; V299-L302 VanDerWaalsContact O-N 3.1Å; V299-V303 WeakPolarHBondContact O-CG2 3.31Å; V299-V303 PolarHBondContact O-N 2.02Å; V299-Y323 HydrophobicContact CG1-CE2 3.96Å
300	D	98.8	Very high	98.6	Very high	6 Å²	6	24.7 Å²	24.7	3%	0.032	11%	0.107	C	C	.	.	H	α-helix	trans	-58.7	-40.4	176.9	-148.6	38.1	0	0	0	112.1	L67 K68 K69 T70 L296 L297 E304	L67-D300 VanDerWaalsContact CA-OD1 3.24Å; L67-D300 WeakPolarHBondContact CA-OD1 3.06Å; L67-D300 HydrophobicContact CD2-CB 3.78Å; K68-D300 PolarHBondContact N-OD2 2.99Å; K68-D300 VanDerWaalsContact N-OD2 3.11Å; K69-D300 WeakPolarHBondContact CB-OD2 3.35Å; K69-D300 HydrophobicContact CD-CB 4.45Å; K69-D300 VanDerWaalsContact CG-OD2 3.25Å; K69-D300 WeakPolarHBondContact CG-OD2 3.38Å; K69-D300 PolarHBondContact N-OD1 3.19Å; K69-D300 VanDerWaalsContact N-OD1 3.16Å; K69-D300 PolarHBondContact N-OD2 3.34Å; T70-D300 WeakPolarHBondContact CB-OD1 3.03Å; T70-D300 PolarHBondContact N-OD1 3.2Å; T70-D300 PolarHBondContact OG1-OD1 2.92Å; L296-D300 PolarHBondContact O-N 3.09Å; L297-D300 WeakPolarHBondContact O-CB 3.45Å; L297-D300 PolarHBondContact O-N 3.4Å; D300-E304 PolarHBondContact O-N 2.91Å; D300-E304 VanDerWaalsContact O-N 3.08Å
301	D	98.8	Very high	98.7	Very high	19 Å²	19	28.2 Å²	28.2	10%	0.102	13%	0.126	C	C	.	.	H	α-helix	trans	-65.1	-42.5	173.3	-70.8	-22.5	0	0	0	112.8	K69 Y244 L297 V299 V303 E304 K305	K69-D301 IonicContact NZ-OD1 3.2Å; K69-D301 PolarHBondContact NZ-OD1 2.64Å; Y244-D301 WeakPolarHBondContact CE2-OD2 3.34Å; Y244-D301 PolarHBondContact OH-OD1 2.93Å; Y244-D301 PolarHBondContact OH-OD2 3.08Å; L297-D301 PolarHBondContact O-N 2.92Å; L297-D301 VanDerWaalsContact O-N 3.11Å; V299-D301 VanDerWaalsContact C-N 3.29Å; V299-D301 PolarHBondContact O-N 3.28Å; D301-V303 VanDerWaalsContact C-N 3.33Å; D301-E304 PolarHBondContact O-N 3.12Å; D301-K305 WeakPolarHBondContact O-CB 3.49Å; D301-K305 VanDerWaalsContact O-CG 3.29Å; D301-K305 WeakPolarHBondContact O-CG 3.34Å; D301-K305 PolarHBondContact O-N 2.91Å
302	L	98.9	Very high	98.6	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-58.9	-47.7	176.5	-178.6	162.2	0	0	0	110.1	L52 T205 L208 A209 I229 T231 S298 V299 E304 K305 L306	L52-L302 HydrophobicContact CD2-CD2 3.42Å; L52-L302 VanDerWaalsContact CD2-CD2 3.42Å; T205-L302 HydrophobicContact CG2-CD1 4.25Å; L208-L302 HydrophobicContact CB-CD1 4.43Å; A209-L302 HydrophobicContact CB-CB 4.06Å; A209-L302 HydrophobicContact CB-CD1 3.82Å; A209-L302 HydrophobicContact CB-CG 3.65Å; I229-L302 HydrophobicContact CD1-CD2 4.31Å; I229-L302 HydrophobicContact CG2-CD1 4.01Å; I229-L302 HydrophobicContact CG2-CD2 4.24Å; T231-L302 HydrophobicContact CG2-CD1 3.95Å; S298-L302 PolarHBondContact O-N 3.39Å; S298-L302 VanDerWaalsContact O-N 3.09Å; V299-L302 WeakPolarHBondContact O-CB 3.46Å; V299-L302 PolarHBondContact O-N 3.24Å; V299-L302 VanDerWaalsContact O-N 3.1Å; L302-E304 VanDerWaalsContact C-N 3.34Å; L302-E304 PolarHBondContact O-N 3.25Å; L302-K305 PolarHBondContact O-N 3.17Å; L302-L306 WeakPolarHBondContact O-CB 3.47Å; L302-L306 PolarHBondContact O-N 2.68Å
303	V	98.9	Very high	98.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-58.9	-46.7	178.1	174.3	0	0	0	0	110.8	L52 T70 I74 V299 D301 L306 V307 Y323	L52-V303 HydrophobicContact CD1-CG2 3.91Å; L52-V303 HydrophobicContact CD2-CG2 4.14Å; T70-V303 HydrophobicContact CG2-CG1 4.21Å; T70-V303 HydrophobicContact CG2-CG2 4.25Å; I74-V303 HydrophobicContact CD1-CG1 3.69Å; I74-V303 HydrophobicContact CG1-CG1 4.17Å; V299-V303 WeakPolarHBondContact O-CG2 3.31Å; V299-V303 PolarHBondContact O-N 2.02Å; D301-V303 VanDerWaalsContact C-N 3.33Å; V303-L306 PolarHBondContact O-N 2.71Å; V303-V307 HydrophobicContact CG1-CG2 4.24Å; V303-V307 VanDerWaalsContact O-CG2 3.31Å; V303-V307 WeakPolarHBondContact O-CG2 3.48Å; V303-V307 PolarHBondContact O-N 3.49Å; V303-Y323 HydrophobicContact CG2-CD2 4.14Å; V303-Y323 HydrophobicContact CG2-CE2 4.14Å
304	E	98.9	Very high	98.4	Very high	46 Å²	46	37.3 Å²	37.3	22%	0.215	19%	0.189	C	C	.	.	H	α-helix	trans	-60	-48.2	177.8	178.9	-179.9	-140.7	0	0	112.5	K69 L73 D300 D301 L302 L306 V307 K308	K69-E304 HydrophobicContact CB-CB 4.28Å; K69-E304 HydrophobicContact CD-CB 3.88Å; K69-E304 HydrophobicContact CD-CG 4.34Å; K69-E304 WeakPolarHBondContact CD-OE2 3.49Å; K69-E304 WeakPolarHBondContact CE-OE2 3.36Å; K69-E304 IonicContact NZ-OE2 3.73Å; K69-E304 PolarHBondContact NZ-OE2 3.06Å; L73-E304 HydrophobicContact CD1-CB 3.89Å; L73-E304 HydrophobicContact CD1-CG 4.05Å; D300-E304 PolarHBondContact O-N 2.91Å; D300-E304 VanDerWaalsContact O-N 3.08Å; D301-E304 PolarHBondContact O-N 3.12Å; L302-E304 VanDerWaalsContact C-N 3.34Å; L302-E304 PolarHBondContact O-N 3.25Å; E304-L306 VanDerWaalsContact C-N 3.32Å; E304-L306 PolarHBondContact O-N 2.79Å; E304-V307 PolarHBondContact O-N 3.42Å; E304-K308 HydrophobicContact CG-CD 3.92Å; E304-K308 HydrophobicContact CG-CG 4.44Å; E304-K308 WeakPolarHBondContact O-CB 3.12Å; E304-K308 VanDerWaalsContact O-CG 3.31Å; E304-K308 WeakPolarHBondContact O-CG 3.43Å; E304-K308 PolarHBondContact O-N 3.49Å; E304-K308 WeakPolarHBondContact OE1-CE 3.39Å; E304-K308 IonicContact OE1-NZ 2.65Å; E304-K308 PolarHBondContact OE1-NZ 2.83Å
305	K	98.8	Very high	98.3	Very high	80 Å²	80	37.3 Å²	37.3	35%	0.348	19%	0.189	S	C	.	.	H	α-helix	trans	-59.5	-44.1	178.2	-72	170.2	-177.6	173.9	0	111.4	L213 D301 L302 R309	L213-K305 HydrophobicContact CD1-CB 4.18Å; L213-K305 HydrophobicContact CD2-CB 4.5Å; D301-K305 WeakPolarHBondContact O-CB 3.49Å; D301-K305 VanDerWaalsContact O-CG 3.29Å; D301-K305 WeakPolarHBondContact O-CG 3.34Å; D301-K305 PolarHBondContact O-N 2.91Å; L302-K305 PolarHBondContact O-N 3.17Å; K305-R309 WeakPolarHBondContact O-CB 3.4Å; K305-R309 PolarHBondContact O-N 3.42Å
306	L	98.8	Very high	98.3	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-64.9	-49.4	-179.2	-173.3	72	0	0	0	111.9	V50 L52 L216 M227 I229 L302 V303 E304 K308 R309 L310	V50-L306 HydrophobicContact CG1-CD2 3.57Å; L52-L306 HydrophobicContact CD1-CD2 4.24Å; L52-L306 HydrophobicContact CD2-CD2 4.19Å; L52-L306 HydrophobicContact CG-CD2 4.42Å; L216-L306 HydrophobicContact CD1-CD1 3.59Å; M227-L306 HydrophobicContact CE-CD1 4.11Å; M227-L306 HydrophobicContact SD-CD1 4.5Å; I229-L306 HydrophobicContact CD1-CD1 4.15Å; I229-L306 HydrophobicContact CD1-CD2 3.65Å; L302-L306 WeakPolarHBondContact O-CB 3.47Å; L302-L306 PolarHBondContact O-N 2.68Å; V303-L306 PolarHBondContact O-N 2.71Å; E304-L306 VanDerWaalsContact C-N 3.32Å; E304-L306 PolarHBondContact O-N 2.79Å; L306-K308 PolarHBondContact O-N 2.84Å; L306-R309 PolarHBondContact O-N 3.44Å; L306-L310 HydrophobicContact CG-CD1 4.48Å; L306-L310 WeakPolarHBondContact O-CG 3.39Å; L306-L310 PolarHBondContact O-N 3.49Å
307	V	98.8	Very high	98.2	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-62.7	-44.8	179.5	173.8	0	0	0	0	110.8	L73 V303 E304 R309 L310 E311 L316 I321	L73-V307 HydrophobicContact CB-CG1 4.29Å; L73-V307 HydrophobicContact CB-CG2 4.28Å; L73-V307 HydrophobicContact CD1-CB 4.36Å; L73-V307 HydrophobicContact CD2-CG1 4.17Å; V303-V307 HydrophobicContact CG1-CG2 4.24Å; V303-V307 VanDerWaalsContact O-CG2 3.31Å; V303-V307 WeakPolarHBondContact O-CG2 3.48Å; V303-V307 PolarHBondContact O-N 3.49Å; E304-V307 PolarHBondContact O-N 3.42Å; V307-R309 VanDerWaalsContact C-N 3.3Å; V307-R309 PolarHBondContact O-N 3.07Å; V307-L310 PolarHBondContact O-N 2.91Å; V307-E311 PolarHBondContact O-N 3.15Å; V307-L316 HydrophobicContact CG1-CD1 4.25Å; V307-L316 HydrophobicContact CG1-CD2 4.1Å; V307-I321 HydrophobicContact CG2-CD1 3.9Å
308	K	98.7	Very high	98.1	Very high	105 Å²	105	45.5 Å²	45.5	46%	0.457	23%	0.233	S	C	.	.	H	α-helix	trans	-63.1	-35.3	176.2	-73.6	-179.5	-177.6	172.9	0	112.4	E304 L306 E311 F312	E304-K308 HydrophobicContact CG-CD 3.92Å; E304-K308 HydrophobicContact CG-CG 4.44Å; E304-K308 WeakPolarHBondContact O-CB 3.12Å; E304-K308 VanDerWaalsContact O-CG 3.31Å; E304-K308 WeakPolarHBondContact O-CG 3.43Å; E304-K308 PolarHBondContact O-N 3.49Å; E304-K308 WeakPolarHBondContact OE1-CE 3.39Å; E304-K308 IonicContact OE1-NZ 2.65Å; E304-K308 PolarHBondContact OE1-NZ 2.83Å; L306-K308 PolarHBondContact O-N 2.84Å; K308-E311 PolarHBondContact O-N 3.4Å; K308-F312 WeakPolarHBondContact O-CB 3.39Å; K308-F312 PolarHBondContact O-N 3.35Å
309	R	98.6	Very high	98.1	Very high	60 Å²	60	45.5 Å²	45.5	23%	0.226	23%	0.233	C	C	.	.	H	α-helix	trans	-66.8	-45.2	175.5	-178.4	59.5	64.5	80.1	-2.7	111.7	L213 L216 D217 K305 L306 V307 E311 F312 T313	L213-R309 HydrophobicContact CD2-CB 3.53Å; L213-R309 HydrophobicContact CD2-CG 3.85Å; L213-R309 PolarHBondContact O-NH1 3.44Å; L216-R309 HydrophobicContact CB-CG 4.1Å; L216-R309 HydrophobicContact CD1-CB 4.13Å; L216-R309 HydrophobicContact CD1-CG 3.75Å; D217-R309 IonicContact OD1-CZ 3.52Å; D217-R309 IonicContact OD1-NE 3.87Å; D217-R309 IonicContact OD1-NH1 3.7Å; D217-R309 PolarHBondContact OD1-NH1 3.49Å; D217-R309 IonicContact OD2-CZ 3.55Å; D217-R309 IonicContact OD2-NH1 3.95Å; D217-R309 PolarHBondContact OD2-NH1 3.03Å; D217-R309 IonicContact OD2-NH2 3.93Å; K305-R309 WeakPolarHBondContact O-CB 3.4Å; K305-R309 PolarHBondContact O-N 3.42Å; L306-R309 PolarHBondContact O-N 3.44Å; V307-R309 VanDerWaalsContact C-N 3.3Å; V307-R309 PolarHBondContact O-N 3.07Å; R309-E311 VanDerWaalsContact C-N 3.25Å; R309-E311 PolarHBondContact O-N 3.13Å; R309-F312 PolarHBondContact O-N 2.88Å; R309-T313 WeakPolarHBondContact O-CG2 3.24Å; R309-T313 PolarHBondContact O-N 3.25Å; R309-T313 PolarHBondContact O-OG1 2.85Å
310	L	98.4	Very high	98.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.5	-35	175.1	-69.4	169.5	0	0	0	112.3	V50 L216 F225 L306 V307 T313 G314 E315 L316 T319 I321	V50-L310 HydrophobicContact CG2-CD1 4.31Å; L216-L310 HydrophobicContact CD1-CD2 3.88Å; L216-L310 HydrophobicContact CD1-CG 4.02Å; L216-L310 HydrophobicContact CD2-CD2 3.78Å; F225-L310 HydrophobicContact CZ-CD2 3.69Å; L306-L310 HydrophobicContact CG-CD1 4.48Å; L306-L310 WeakPolarHBondContact O-CG 3.39Å; L306-L310 PolarHBondContact O-N 3.49Å; V307-L310 PolarHBondContact O-N 2.91Å; L310-T313 PolarHBondContact O-OG1 2.94Å; L310-G314 PolarHBondContact O-N 2.85Å; L310-E315 HydrophobicContact CD2-CB 4.22Å; L310-E315 PolarHBondContact O-N 2.88Å; L310-L316 HydrophobicContact CB-CB 4Å; L310-L316 HydrophobicContact CB-CD1 4.2Å; L310-L316 HydrophobicContact CD1-CD1 4.47Å; L310-L316 PolarHBondContact O-N 3.04Å; L310-T319 HydrophobicContact CD1-CG2 4.01Å; L310-I321 HydrophobicContact CD1-CD1 3.82Å; L310-I321 HydrophobicContact CD1-CG1 4.42Å
311	E	98.3	Very high	98.1	Very high	126 Å²	126	45.3 Å²	45.3	59%	0.589	23%	0.231	S	C	*	.	H	α-helix	trans	-66.1	-48.9	173.3	-173.3	169.3	-142.1	0	0	110.9	V307 K308 R309 T313 G314 L316	V307-E311 PolarHBondContact O-N 3.15Å; K308-E311 PolarHBondContact O-N 3.4Å; R309-E311 VanDerWaalsContact C-N 3.25Å; R309-E311 PolarHBondContact O-N 3.13Å; E311-T313 VanDerWaalsContact C-N 3.33Å; E311-T313 PolarHBondContact O-N 3.07Å; E311-G314 PolarHBondContact O-N 2.93Å; E311-L316 HydrophobicContact CB-CD2 3.88Å; E311-L316 HydrophobicContact CG-CD2 4.36Å
312	F	97.6	Very high	98.1	Very high	179 Å²	179	44.4 Å²	44.4	79%	0.785	23%	0.226	S	C	*	.	H	α-helix	trans	-60.3	-38.5	179	180	-98.5	0	0	0	113	K308 R309 G314	K308-F312 WeakPolarHBondContact O-CB 3.39Å; K308-F312 PolarHBondContact O-N 3.35Å; R309-F312 PolarHBondContact O-N 2.88Å; F312-G314 VanDerWaalsContact C-N 3.26Å; F312-G314 PolarHBondContact O-N 3.05Å
313	T	95.6	Very high	98.1	Very high	53 Å²	53	44.3 Å²	44.3	33%	0.325	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-2.8	176.3	62.1	0	0	0	0	113.6	R309 L310 E311 E315	R309-T313 WeakPolarHBondContact O-CG2 3.24Å; R309-T313 PolarHBondContact O-N 3.25Å; R309-T313 PolarHBondContact O-OG1 2.85Å; L310-T313 PolarHBondContact O-OG1 2.94Å; E311-T313 VanDerWaalsContact C-N 3.33Å; E311-T313 PolarHBondContact O-N 3.07Å; T313-E315 VanDerWaalsContact C-N 3.26Å; T313-E315 PolarHBondContact O-N 2.5Å; T313-E315 PolarHBondContact OG1-OE2 2.8Å
314	G	95.9	Very high	98.1	Very high	62 Å²	62	44.3 Å²	44.3	64%	0.639	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	15.2	-178.6	0	0	0	0	0	114.4	L310 E311 F312	L310-G314 PolarHBondContact O-N 2.85Å; E311-G314 PolarHBondContact O-N 2.93Å; F312-G314 VanDerWaalsContact C-N 3.26Å; F312-G314 PolarHBondContact O-N 3.05Å
315	E	97	Very high	98.1	Very high	13 Å²	13	42.1 Å²	42.1	6%	0.061	22%	0.216	C	C	.	.			trans	-95.9	-15.8	-175.9	-66.4	-179.8	112.6	0	0	113.3	K219 L310 T313 N317 N318 T319	K219-E315 WeakPolarHBondContact CE-OE1 3.33Å; K219-E315 VanDerWaalsContact CE-OE2 3.31Å; K219-E315 WeakPolarHBondContact CE-OE2 3.24Å; K219-E315 IonicContact NZ-OE1 2.7Å; K219-E315 PolarHBondContact NZ-OE1 2.83Å; K219-E315 IonicContact NZ-OE2 2.92Å; K219-E315 PolarHBondContact NZ-OE2 2.99Å; L310-E315 HydrophobicContact CD2-CB 4.22Å; L310-E315 PolarHBondContact O-N 2.88Å; T313-E315 VanDerWaalsContact C-N 3.26Å; T313-E315 PolarHBondContact O-N 2.5Å; T313-E315 PolarHBondContact OG1-OE2 2.8Å; E315-N317 VanDerWaalsContact C-N 3.31Å; E315-N317 PolarHBondContact O-N 3.08Å; E315-N318 CarbonylContact O-C 3.48Å; E315-N318 PolarHBondContact O-N 3.1Å; E315-T319 PolarHBondContact O-N 3.46Å; E315-T319 PolarHBondContact O-OG1 3.35Å
316	L	98	Very high	98.1	Very high	11 Å²	11	38.3 Å²	38.3	6%	0.058	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-55.6	-42	-175.3	-176.9	57.6	0	0	0	113	V307 L310 E311 N318 T319 I321	V307-L316 HydrophobicContact CG1-CD1 4.25Å; V307-L316 HydrophobicContact CG1-CD2 4.1Å; L310-L316 HydrophobicContact CB-CB 4Å; L310-L316 HydrophobicContact CB-CD1 4.2Å; L310-L316 HydrophobicContact CD1-CD1 4.47Å; L310-L316 PolarHBondContact O-N 3.04Å; E311-L316 HydrophobicContact CB-CD2 3.88Å; E311-L316 HydrophobicContact CG-CD2 4.36Å; L316-N318 PolarHBondContact O-N 2.96Å; L316-T319 PolarHBondContact O-N 2.83Å; L316-T319 VanDerWaalsContact O-N 3.09Å; L316-I321 HydrophobicContact CD1-CD1 3.77Å
317	N	96.9	Very high	98.1	Very high	145 Å²	145	38.1 Å²	38.1	78%	0.775	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-67.5	-15.8	-179.5	-72.3	-19.8	0	0	0	113.9	E315 P357	E315-N317 VanDerWaalsContact C-N 3.31Å; E315-N317 PolarHBondContact O-N 3.08Å; N317-P357 WeakPolarHBondContact O-CG 3.37Å
318	N	97.3	Very high	98.1	Very high	43 Å²	43	38.1 Å²	38.1	23%	0.23	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-111	14.9	175.6	-169.2	52	0	0	0	112.2	R46 P47 N48 E315 L316	R46-N318 PolarHBondContact O-ND2 3.39Å; P47-N318 CarbonylContact C-O 3.54Å; P47-N318 VanDerWaalsContact CA-O 3.32Å; P47-N318 WeakPolarHBondContact CA-O 3.26Å; N48-N318 PolarHBondContact N-O 2.94Å; E315-N318 CarbonylContact O-C 3.48Å; E315-N318 PolarHBondContact O-N 3.1Å; L316-N318 PolarHBondContact O-N 2.96Å
319	T	98.6	Very high	98	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123.4	-174.8	-56	0	0	0	0	111.1	N48 V50 F225 L310 E315 L316 I321 G356	N48-T319 HydrophobicContact CB-CG2 3.98Å; N48-T319 PolarHBondContact ND2-OG1 3.38Å; N48-T319 CarbonylContact O-C 3.59Å; N48-T319 WeakPolarHBondContact O-CA 3.16Å; V50-T319 HydrophobicContact CG2-CG2 3.89Å; F225-T319 HydrophobicContact CZ-CG2 4.37Å; L310-T319 HydrophobicContact CD1-CG2 4.01Å; E315-T319 PolarHBondContact O-N 3.46Å; E315-T319 PolarHBondContact O-OG1 3.35Å; L316-T319 PolarHBondContact O-N 2.83Å; L316-T319 VanDerWaalsContact O-N 3.09Å; T319-I321 HydrophobicContact CG2-CG1 4.06Å; T319-G356 WeakPolarHBondContact O-CA 3.43Å
320	Y	98.8	Very high	98	Very high	3 Å²	3	30.7 Å²	30.7	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	133.6	164.2	-71.2	-98.2	0	0	0	109.4	P47 N48 V49 V50 F322 R355 P357 I359 I381 L397 L400	P47-Y320 HydrophobicContact CB-CD2 3.71Å; P47-Y320 HydrophobicContact CB-CE2 3.7Å; P47-Y320 HydrophobicContact CG-CD2 4.39Å; P47-Y320 HydrophobicContact CG-CE2 3.88Å; N48-Y320 PolarHBondContact O-N 3.4Å; V49-Y320 CarbonylContact C-O 3.58Å; V49-Y320 WeakPolarHBondContact CA-O 3.46Å; V50-Y320 PolarHBondContact N-O 3.41Å; Y320-F322 HydrophobicContact CG-CE2 4.5Å; Y320-R355 CarbonylContact C-O 3.59Å; Y320-R355 VanDerWaalsContact CA-O 3.27Å; Y320-R355 WeakPolarHBondContact CA-O 3.37Å; Y320-P357 HydrophobicContact CD2-CG 4.11Å; Y320-P357 HydrophobicContact CE2-CB 4.17Å; Y320-P357 HydrophobicContact CE2-CG 3.74Å; Y320-P357 PolarHBondContact OH-O 3.26Å; Y320-I359 HydrophobicContact CD1-CD1 4.11Å; Y320-I359 HydrophobicContact CE1-CD1 4.03Å; Y320-I359 HydrophobicContact CE1-CG1 4.4Å; Y320-I381 HydrophobicContact CD1-CD1 4.01Å; Y320-I381 HydrophobicContact CD2-CD1 4.06Å; Y320-I381 HydrophobicContact CD2-CG1 4.36Å; Y320-I381 HydrophobicContact CD2-CG2 3.78Å; Y320-I381 HydrophobicContact CE1-CD1 4.37Å; Y320-I381 HydrophobicContact CE2-CD1 4.44Å; Y320-I381 HydrophobicContact CE2-CG1 4.33Å; Y320-I381 HydrophobicContact CE2-CG2 3.95Å; Y320-I381 HydrophobicContact CG-CD1 3.84Å; Y320-L397 HydrophobicContact CE1-CD1 4.21Å; Y320-L400 HydrophobicContact CE1-CD1 4.44Å
321	I	98.9	Very high	98	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	116	177.6	-51.7	178.8	0	0	0	108	V50 L52 I74 V307 L310 L316 T319 V354 R355	V50-I321 HydrophobicContact CB-CG1 4.32Å; V50-I321 HydrophobicContact CB-CG2 4.29Å; V50-I321 HydrophobicContact CG1-CG2 4.23Å; V50-I321 CarbonylContact O-C 3.54Å; V50-I321 WeakPolarHBondContact O-CA 3.29Å; L52-I321 HydrophobicContact CD1-CG2 3.85Å; I74-I321 HydrophobicContact CD1-CG2 3.64Å; I74-I321 HydrophobicContact CG1-CG2 4.16Å; V307-I321 HydrophobicContact CG2-CD1 3.9Å; L310-I321 HydrophobicContact CD1-CD1 3.82Å; L310-I321 HydrophobicContact CD1-CG1 4.42Å; L316-I321 HydrophobicContact CD1-CD1 3.77Å; T319-I321 HydrophobicContact CG2-CG1 4.06Å; I321-V354 WeakPolarHBondContact O-CA 3.46Å; I321-R355 PolarHBondContact N-O 3.21Å; I321-R355 PolarHBondContact O-N 2.6Å
322	F	98.9	Very high	97.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	137	174.7	-64.4	-100.1	0	0	0	109.2	V49 V50 L51 L52 Y320 L353 V354 L374 T377 I381 L400	V49-F322 HydrophobicContact CG1-CD2 4.03Å; V49-F322 HydrophobicContact CG1-CE2 3.99Å; V50-F322 PolarHBondContact O-N 2.91Å; L51-F322 HydrophobicContact CD1-CB 3.77Å; L52-F322 PolarHBondContact N-O 2.68Å; Y320-F322 HydrophobicContact CG-CE2 4.5Å; F322-L353 CarbonylContact C-O 3.56Å; F322-L353 WeakPolarHBondContact CA-O 3.44Å; F322-V354 HydrophobicContact CD1-CB 4.26Å; F322-V354 HydrophobicContact CD1-CG1 3.79Å; F322-V354 HydrophobicContact CD1-CG2 3.51Å; F322-V354 HydrophobicContact CD2-CG1 4.49Å; F322-V354 HydrophobicContact CE1-CB 4.3Å; F322-V354 HydrophobicContact CE1-CG1 3.53Å; F322-V354 HydrophobicContact CE1-CG2 3.71Å; F322-V354 HydrophobicContact CE2-CG1 4.28Å; F322-V354 HydrophobicContact CG-CG1 4.25Å; F322-V354 HydrophobicContact CG-CG2 4.41Å; F322-V354 HydrophobicContact CZ-CG1 3.79Å; F322-L374 HydrophobicContact CD1-CD2 4.13Å; F322-T377 HydrophobicContact CE1-CG2 4.15Å; F322-T377 HydrophobicContact CZ-CG2 3.84Å; F322-I381 HydrophobicContact CE2-CD1 3.89Å; F322-I381 HydrophobicContact CZ-CD1 3.83Å; F322-L400 HydrophobicContact CE1-CD1 4.23Å; F322-L400 HydrophobicContact CZ-CD1 4.08Å
323	Y	98.9	Very high	98	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	126.7	171.3	-177.9	-79.4	0	0	0	109.3	L52 T54 Q57 M64 L67 T70 V299 V303 P351 L352 L353	L52-Y323 HydrophobicContact CB-CD2 3.78Å; L52-Y323 HydrophobicContact CB-CE2 4.46Å; L52-Y323 HydrophobicContact CB-CG 4.49Å; L52-Y323 HydrophobicContact CD1-CD2 4.35Å; L52-Y323 WeakPolarHBondContact O-CA 3.29Å; T54-Y323 HydrophobicContact CG2-CE2 4.37Å; T54-Y323 WeakPolarHBondContact CG2-OH 3.45Å; Q57-Y323 PolarHBondContact OE1-OH 3.34Å; M64-Y323 HydrophobicContact CE-CE1 4.41Å; M64-Y323 HydrophobicContact SD-CD1 4.43Å; M64-Y323 HydrophobicContact SD-CE1 3.88Å; L67-Y323 HydrophobicContact CD1-CE1 3.98Å; L67-Y323 WeakPolarHBondContact CD1-OH 3.26Å; T70-Y323 HydrophobicContact CG2-CD1 4.18Å; T70-Y323 HydrophobicContact CG2-CD2 3.52Å; T70-Y323 HydrophobicContact CG2-CE1 4.42Å; T70-Y323 HydrophobicContact CG2-CE2 3.77Å; T70-Y323 HydrophobicContact CG2-CG 3.76Å; V299-Y323 HydrophobicContact CG1-CE2 3.96Å; V303-Y323 HydrophobicContact CG2-CD2 4.14Å; V303-Y323 HydrophobicContact CG2-CE2 4.14Å; Y323-P351 HydrophobicContact CE1-CG 4.29Å; Y323-L352 WeakPolarHBondContact O-CA 3.48Å; Y323-L353 PolarHBondContact N-O 3.31Å; Y323-L353 PolarHBondContact O-N 3.3Å
324	T	98.9	Very high	98	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	-176.5	179.6	-168.1	0	0	0	0	112.6	L51 L52 L53 T54 P351 L374	L51-T324 HydrophobicContact CD1-CG2 4.01Å; L52-T324 PolarHBondContact O-N 2.91Å; L53-T324 WeakPolarHBondContact CA-O 2.99Å; L53-T324 HydrophobicContact CD1-CG2 3.65Å; T54-T324 PolarHBondContact N-O 3.09Å; T54-T324 PolarHBondContact OG1-O 3.21Å; T324-P351 VanDerWaalsContact CA-O 3.24Å; T324-P351 WeakPolarHBondContact CA-O 3.44Å; T324-P351 WeakPolarHBondContact CB-O 3.16Å; T324-P351 PolarHBondContact OG1-O 2.93Å; T324-L374 HydrophobicContact CG2-CD1 3.92Å
325	S	98.9	Very high	98.1	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	156.9	172.6	-169.2	0	0	0	0	111.5	L53 T54 Q57 N327 N371	L53-S325 VanDerWaalsContact CD1-C 3.49Å; T54-S325 WeakPolarHBondContact OG1-CB 3.49Å; Q57-S325 PolarHBondContact N-OG 3.33Å; Q57-S325 WeakPolarHBondContact O-CB 3.48Å; Q57-S325 PolarHBondContact O-OG 2.92Å; S325-N327 PolarHBondContact OG-O 3.33Å; S325-N371 PolarHBondContact O-ND2 2.87Å
326	D	98.5	Very high	98.1	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.053	C	C	.	.	S	Bend	trans	-74.4	-35.5	171.1	61.6	-8.2	0	0	0	112.5	L53 T54 D55 D56 V86 S94 R95	L53-D326 HydrophobicContact CD1-CB 4.45Å; T54-D326 PolarHBondContact O-N 3.38Å; D55-D326 VanDerWaalsContact CA-OD1 3.28Å; D55-D326 WeakPolarHBondContact CA-OD1 3.48Å; D56-D326 PolarHBondContact N-OD1 3.23Å; V86-D326 WeakPolarHBondContact CB-O 3.33Å; V86-D326 WeakPolarHBondContact CG1-O 3.47Å; S94-D326 WeakPolarHBondContact CB-O 3.45Å; S94-D326 PolarHBondContact OG-O 2.94Å; R95-D326 HydrophobicContact CG-CB 3.82Å; R95-D326 IonicContact CZ-OD2 3.1Å; R95-D326 IonicContact NE-OD2 2.78Å; R95-D326 PolarHBondContact NE-OD2 3Å; R95-D326 IonicContact NH2-OD2 3.37Å; R95-D326 PolarHBondContact NH2-OD2 3.18Å
327	N	98.6	Very high	98	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.051	C	C	.	.			trans	-158.5	170.3	173.7	52	-101.5	0	0	0	110.7	D56 Q57 V86 C91 S325	D56-N327 CarbonylContact C-O 3.55Å; D56-N327 WeakPolarHBondContact CA-O 3.23Å; D56-N327 PolarHBondContact OD1-ND2 2.91Å; Q57-N327 CarbonylContact C-O 3.51Å; Q57-N327 PolarHBondContact N-O 2.9Å; Q57-N327 VanDerWaalsContact N-O 3.1Å; V86-N327 HydrophobicContact CG2-CB 4.25Å; C91-N327 PolarHBondContact N-OD1 2.91Å; S325-N327 PolarHBondContact OG-O 3.33Å
328	G	98.3	Very high	98	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.018	C	C	.	.			trans	-82.4	-162.8	170.5	0	0	0	0	0	112.4	F346 D347	G328-F346 CarbonylContact C-O 3.36Å; G328-F346 WeakPolarHBondContact CA-O 3.14Å; G328-D347 WeakPolarHBondContact CA-O 3.49Å; G328-D347 PolarHBondContact N-O 3.46Å
329	Y	98.1	Very high	98	Very high	10 Å²	10	2.1 Å²	2.1	4%	0.039	1%	0.01	C	C	.	.			trans	-165.2	142.2	-179	-158.8	-101	0	0	0	109.8	D56 L61 R292 T331 I338 D339 K340 F346 D347	D56-Y329 HydrophobicContact CB-CD2 3.71Å; D56-Y329 HydrophobicContact CB-CE2 4.45Å; D56-Y329 HydrophobicContact CB-CG 4.25Å; D56-Y329 WeakPolarHBondContact O-CB 3.35Å; D56-Y329 WeakPolarHBondContact OD2-CD2 3.2Å; D56-Y329 WeakPolarHBondContact OD2-CE2 3.4Å; L61-Y329 WeakPolarHBondContact CD1-O 3.31Å; R292-Y329 VanDerWaalsContact CZ-CG 3.48Å; R292-Y329 VanDerWaalsContact NH2-CB 3.27Å; Y329-T331 HydrophobicContact CD1-CG2 4.03Å; Y329-T331 HydrophobicContact CE1-CG2 4.17Å; Y329-I338 HydrophobicContact CE1-CB 4.08Å; Y329-I338 HydrophobicContact CE1-CG2 4.26Å; Y329-D339 WeakPolarHBondContact CA-O 3.27Å; Y329-D339 WeakPolarHBondContact CD2-O 3.3Å; Y329-D339 VanDerWaalsContact CE2-C 3.46Å; Y329-D339 WeakPolarHBondContact CE2-O 3.2Å; Y329-D339 VanDerWaalsContact CG-O 3.3Å; Y329-K340 HydrophobicContact CD2-CD 3.95Å; Y329-K340 HydrophobicContact CE2-CD 4.09Å; Y329-F346 PolarHBondContact N-O 3.46Å; Y329-D347 VanDerWaalsContact C-OD1 3.28Å; Y329-D347 WeakPolarHBondContact CA-OD1 3.4Å
330	H	98	Very high	97.9	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.012	C	C	.	.	B	Isolated β-bridge	trans	-104.2	156.7	173.4	54.1	-90.7	0	0	0	113.1	Q333 D339 F346 D347 E445	H330-Q333 HydrophobicContact CB-CB 4.48Å; H330-D339 PolarHBondContact CD2-N 3.08Å; H330-D339 PolarHBondContact CE1-N 2.81Å; H330-D339 PolarHBondContact CE1-O 2.87Å; H330-D339 VanDerWaalsContact CE1-O 3.25Å; H330-D339 PolarHBondContact N-O 3.09Å; H330-D339 PolarHBondContact ND1-O 2.72Å; H330-D339 VanDerWaalsContact ND1-O 3.07Å; H330-D339 PolarHBondContact NE2-N 2.85Å; H330-F346 HydrophobicContact CB-CD2 3.46Å; H330-F346 VanDerWaalsContact CB-CD2 3.46Å; H330-F346 HydrophobicContact CB-CE2 3.53Å; H330-F346 HydrophobicContact CB-CG 4.1Å; H330-F346 HydrophobicContact CB-CZ 4.23Å; H330-F346 AromaticContact CG-CE2 3.77Å; H330-F346 AromaticContact ND1-CE2 3.63Å; H330-D347 IonicContact CE1-OD2 2.81Å; H330-D347 IonicContact CG-OD1 3.55Å; H330-D347 PolarHBondContact N-OD1 2.75Å; H330-D347 VanDerWaalsContact N-OD1 3.15Å; H330-D347 IonicContact ND1-OD1 2.71Å; H330-D347 PolarHBondContact ND1-OD1 2.98Å; H330-D347 IonicContact ND1-OD2 2.87Å; H330-D347 PolarHBondContact ND1-OD2 3.03Å; H330-E445 IonicContact CE1-OE2 3.02Å; H330-E445 IonicContact NE2-OE1 2.81Å; H330-E445 IonicContact NE2-OE2 3.57Å; H330-E445 PolarHBondContact NE2-OE2 3.29Å
331	T	97.4	Very high	97.9	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	1%	0.013	C	C	.	.	S	Bend	trans	-144.1	69.3	178.5	47.5	0	0	0	0	109.8	A253 F259 F289 Y329 P337 I338	A253-T331 WeakPolarHBondContact CB-OG1 3.29Å; F259-T331 WeakPolarHBondContact CE2-O 3.16Å; F289-T331 HydrophobicContact CB-CG2 4.21Å; F289-T331 HydrophobicContact CD2-CG2 4.04Å; Y329-T331 HydrophobicContact CD1-CG2 4.03Å; Y329-T331 HydrophobicContact CE1-CG2 4.17Å; T331-P337 CarbonylContact C-O 3.58Å; T331-P337 WeakPolarHBondContact CA-O 3.21Å; T331-I338 HydrophobicContact CG2-CG2 4.28Å
332	G	97.9	Very high	97.8	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	1%	0.013	C	C	.	.	S	Bend	trans	105.1	-1.2	175.4	0	0	0	0	0	116.2	N260 F334 S335 L336 P337	N260-G332 PolarHBondContact N-O 3.28Å; G332-F334 PolarHBondContact O-N 2.9Å; G332-S335 PolarHBondContact O-N 3.1Å; G332-L336 CarbonylContact C-O 3.54Å; G332-L336 WeakPolarHBondContact CA-O 3.19Å; G332-L336 PolarHBondContact N-O 2.83Å; G332-P337 PolarHBondContact N-O 3.05Å
333	Q	97.7	Very high	97.8	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	1%	0.013	C	C	.	.	B	Isolated β-bridge	trans	-63.8	131.5	176.3	-74.1	66	45.1	0	0	110.2	L61 N258 H330 S335 L336 F346	L61-Q333 VanDerWaalsContact CD1-OE1 3.24Å; N258-Q333 CarbonylContact O-C 3.32Å; N258-Q333 WeakPolarHBondContact O-CA 3.45Å; N258-Q333 WeakPolarHBondContact OD1-CG 3.43Å; H330-Q333 HydrophobicContact CB-CB 4.48Å; Q333-S335 PolarHBondContact O-N 2.78Å; Q333-L336 VanDerWaalsContact O-CB 3.31Å; Q333-L336 WeakPolarHBondContact O-CB 3.2Å; Q333-L336 PolarHBondContact O-N 2.66Å; Q333-F346 HydrophobicContact CB-CD1 3.76Å; Q333-F346 HydrophobicContact CB-CE1 3.35Å; Q333-F346 HydrophobicContact CB-CG 4.5Å; Q333-F346 HydrophobicContact CB-CZ 3.79Å; Q333-F346 HydrophobicContact CG-CD1 3.66Å; Q333-F346 HydrophobicContact CG-CE1 3.81Å; Q333-F346 HydrophobicContact CG-CG 4.34Å
334	F	97.5	Very high	97.7	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	33.2	-174.1	-50.5	-59.7	0	0	0	115	N258 I261 K266 I270 G332 L336 Y344 F346 D486 Q487	N258-F334 HydrophobicContact CB-CD1 4.06Å; N258-F334 HydrophobicContact CB-CE1 3.41Å; N258-F334 VanDerWaalsContact CB-CE1 3.41Å; N258-F334 HydrophobicContact CB-CE2 4.33Å; N258-F334 HydrophobicContact CB-CZ 3.56Å; N258-F334 PolarHBondContact O-N 3.42Å; I261-F334 HydrophobicContact CD1-CD1 4.13Å; I261-F334 HydrophobicContact CD1-CE1 4.04Å; I261-F334 HydrophobicContact CG1-CD1 3.86Å; I261-F334 HydrophobicContact CG1-CE1 4.27Å; I261-F334 CarbonylContact O-C 3.59Å; I261-F334 WeakPolarHBondContact O-CA 3.27Å; K266-F334 HydrophobicContact CD-CD1 4.03Å; K266-F334 HydrophobicContact CD-CD2 4.28Å; K266-F334 HydrophobicContact CD-CE1 4.2Å; K266-F334 HydrophobicContact CD-CE2 4.43Å; K266-F334 HydrophobicContact CD-CG 4.08Å; K266-F334 HydrophobicContact CD-CZ 4.4Å; K266-F334 VanDerWaalsContact CE-CZ 3.43Å; I270-F334 HydrophobicContact CG2-CB 3.46Å; I270-F334 VanDerWaalsContact CG2-CB 3.46Å; I270-F334 HydrophobicContact CG2-CG 4.09Å; G332-F334 PolarHBondContact O-N 2.9Å; F334-L336 PolarHBondContact O-N 3.27Å; F334-Y344 HydrophobicContact CD2-CD2 4.05Å; F334-Y344 AromaticContact CD2-CE2 3.84Å; F334-Y344 HydrophobicContact CD2-CE2 3.84Å; F334-Y344 HydrophobicContact CD2-CG 4.5Å; F334-Y344 AromaticContact CE2-CD1 3.85Å; F334-Y344 HydrophobicContact CE2-CD1 3.85Å; F334-Y344 AromaticContact CE2-CD2 3.91Å; F334-Y344 HydrophobicContact CE2-CD2 3.91Å; F334-Y344 AromaticContact CE2-CE1 3.87Å; F334-Y344 HydrophobicContact CE2-CE1 3.87Å; F334-Y344 AromaticContact CE2-CE2 3.89Å; F334-Y344 HydrophobicContact CE2-CE2 3.89Å; F334-Y344 AromaticContact CE2-CG 3.9Å; F334-Y344 HydrophobicContact CE2-CG 3.9Å; F334-Y344 AromaticContact CE2-CZ 3.91Å; F334-F346 HydrophobicContact CD2-CE1 4.08Å; F334-F346 HydrophobicContact CD2-CZ 4.25Å; F334-F346 AromaticContact CE2-CE1 3.9Å; F334-F346 HydrophobicContact CE2-CE1 3.9Å; F334-F346 HydrophobicContact CE2-CZ 4.42Å; F334-D486 WeakPolarHBondContact CZ-O 3.4Å; F334-Q487 VanDerWaalsContact CZ-O 3.32Å; F334-Q487 WeakPolarHBondContact CZ-O 2.95Å
335	S	97.3	Very high	97.7	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	18	-177.6	-50.9	0	0	0	0	114.7	N260 I261 T275 G332 Q333 P337	N260-S335 PolarHBondContact OD1-OG 2.79Å; I261-S335 PolarHBondContact O-OG 2.97Å; T275-S335 WeakPolarHBondContact CB-OG 3.48Å; T275-S335 VanDerWaalsContact CG2-OG 3.24Å; T275-S335 WeakPolarHBondContact CG2-OG 3.38Å; T275-S335 WeakPolarHBondContact OG1-CB 3.38Å; T275-S335 PolarHBondContact OG1-OG 3.3Å; G332-S335 PolarHBondContact O-N 3.1Å; Q333-S335 PolarHBondContact O-N 2.78Å; S335-P337 VanDerWaalsContact O-CD 3.32Å; S335-P337 WeakPolarHBondContact O-CD 3.46Å
336	L	96.8	Very high	97.6	Very high	1 Å²	1	3.7 Å²	3.7	1%	0.005	2%	0.017	C	C	.	.			trans	-81.5	111.2	165.3	-65.4	-171.1	0	0	0	109	I270 A273 G332 Q333 F334 Q342 V443 E445	I270-L336 HydrophobicContact CD1-CD1 3.37Å; I270-L336 HydrophobicContact CD1-CD2 4.1Å; I270-L336 HydrophobicContact CD1-CG 3.84Å; A273-L336 HydrophobicContact CB-CD2 4.13Å; G332-L336 CarbonylContact C-O 3.54Å; G332-L336 WeakPolarHBondContact CA-O 3.19Å; G332-L336 PolarHBondContact N-O 2.83Å; Q333-L336 VanDerWaalsContact O-CB 3.31Å; Q333-L336 WeakPolarHBondContact O-CB 3.2Å; Q333-L336 PolarHBondContact O-N 2.66Å; F334-L336 PolarHBondContact O-N 3.27Å; L336-Q342 HydrophobicContact CD1-CG 3.63Å; L336-V443 HydrophobicContact CD2-CG1 4.17Å; L336-E445 VanDerWaalsContact CB-OE2 3.25Å; L336-E445 WeakPolarHBondContact CB-OE2 3.1Å; L336-E445 WeakPolarHBondContact CD1-OE2 3.45Å; L336-E445 VanDerWaalsContact CD2-OE2 3.3Å; L336-E445 WeakPolarHBondContact CD2-OE2 3.47Å; L336-E445 WeakPolarHBondContact CG-OE2 3.22Å
337	P	96.7	Very high	97.6	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.017	C	C	.	.			trans	-58.6	-53.1	-174.2	-27.3	35.4	0	0	0	113.8	M277 L285 T331 G332 S335 P440 V443 E445	M277-P337 HydrophobicContact SD-CB 4.42Å; M277-P337 HydrophobicContact SD-CG 4.12Å; L285-P337 WeakPolarHBondContact CB-O 3.36Å; T331-P337 CarbonylContact C-O 3.58Å; T331-P337 WeakPolarHBondContact CA-O 3.21Å; G332-P337 PolarHBondContact N-O 3.05Å; S335-P337 VanDerWaalsContact O-CD 3.32Å; S335-P337 WeakPolarHBondContact O-CD 3.46Å; P337-P440 VanDerWaalsContact CB-CD 3.48Å; P337-P440 HydrophobicContact CB-CG 3.81Å; P337-P440 HydrophobicContact CG-CG 3.97Å; P337-V443 HydrophobicContact CG-CB 4.14Å; P337-V443 HydrophobicContact CG-CG1 4.42Å; P337-V443 HydrophobicContact CG-CG2 4.4Å; P337-E445 WeakPolarHBondContact CD-OE1 3.47Å; P337-E445 VanDerWaalsContact N-OE1 3.13Å
338	I	96.9	Very high	97.6	Very high	17 Å²	17	3.7 Å²	3.7	9%	0.087	2%	0.017	C	C	.	.	S	Bend	trans	-169.1	112.4	-170.3	52.4	132.2	0	0	0	113.7	W238 F284 L285 A288 Y329 T331 E445	W238-I338 HydrophobicContact CH2-CD1 3.95Å; F284-I338 HydrophobicContact CD1-CG1 4.44Å; F284-I338 HydrophobicContact CE1-CD1 3.51Å; F284-I338 HydrophobicContact CE1-CG1 3.79Å; F284-I338 HydrophobicContact CE1-CG2 4.43Å; F284-I338 HydrophobicContact CZ-CD1 4.12Å; L285-I338 HydrophobicContact CB-CG2 3.78Å; A288-I338 HydrophobicContact CB-CG2 4.25Å; Y329-I338 HydrophobicContact CE1-CB 4.08Å; Y329-I338 HydrophobicContact CE1-CG2 4.26Å; T331-I338 HydrophobicContact CG2-CG2 4.28Å; I338-E445 PolarHBondContact N-OE1 3.14Å
339	D	96.8	Very high	97.6	Very high	14 Å²	14	5.5 Å²	5.5	8%	0.075	3%	0.025	C	C	.	.	B	Isolated β-bridge	trans	-170.5	-155	159.6	-152.4	-33.9	0	0	0	108.5	Y329 H330 R341 Q437 E445	Y329-D339 WeakPolarHBondContact CA-O 3.27Å; Y329-D339 WeakPolarHBondContact CD2-O 3.3Å; Y329-D339 VanDerWaalsContact CE2-C 3.46Å; Y329-D339 WeakPolarHBondContact CE2-O 3.2Å; Y329-D339 VanDerWaalsContact CG-O 3.3Å; H330-D339 PolarHBondContact CD2-N 3.08Å; H330-D339 PolarHBondContact CE1-N 2.81Å; H330-D339 PolarHBondContact CE1-O 2.87Å; H330-D339 VanDerWaalsContact CE1-O 3.25Å; H330-D339 PolarHBondContact N-O 3.09Å; H330-D339 PolarHBondContact ND1-O 2.72Å; H330-D339 VanDerWaalsContact ND1-O 3.07Å; H330-D339 PolarHBondContact NE2-N 2.85Å; D339-R341 IonicContact OD1-CZ 3.65Å; D339-R341 IonicContact OD1-NH1 3.61Å; D339-R341 PolarHBondContact OD1-NH1 2.97Å; D339-R341 IonicContact OD2-CZ 3.69Å; D339-R341 IonicContact OD2-NH1 3.81Å; D339-R341 PolarHBondContact OD2-NH1 2.96Å; D339-Q437 WeakPolarHBondContact OD2-CG 3.27Å; D339-E445 HydrophobicContact CB-CB 3.6Å; D339-E445 HydrophobicContact CB-CG 3.73Å
340	K	97.2	Very high	97.7	Very high	7 Å²	7	5.1 Å²	5.1	3%	0.03	2%	0.024	C	C	.	.			trans	-124.7	-159.3	158.4	54.4	-96.7	179.7	159.5	0	108.1	D56 A89 H235 Y329 D347	D56-K340 VanDerWaalsContact OD1-CD 3.24Å; D56-K340 WeakPolarHBondContact OD1-CD 3.23Å; D56-K340 WeakPolarHBondContact OD1-CE 3.21Å; D56-K340 IonicContact OD1-NZ 2.76Å; D56-K340 PolarHBondContact OD1-NZ 3.19Å; D56-K340 IonicContact OD2-NZ 3.87Å; D56-K340 PolarHBondContact OD2-NZ 3.4Å; A89-K340 WeakPolarHBondContact O-CB 3.17Å; A89-K340 VanDerWaalsContact O-CG 3.24Å; A89-K340 WeakPolarHBondContact O-CG 3.45Å; H235-K340 PolarHBondContact CD2-NZ 2.96Å; H235-K340 PolarHBondContact NE2-NZ 3.15Å; Y329-K340 HydrophobicContact CD2-CD 3.95Å; Y329-K340 HydrophobicContact CE2-CD 4.09Å; K340-D347 WeakPolarHBondContact CA-OD2 3.47Å
341	R	97.5	Very high	97.7	Very high	9 Å²	9	5.2 Å²	5.2	3%	0.034	2%	0.024	C	C	.	.			trans	89.5	4.7	177.5	-54.2	160.7	166.9	71.1	-5.8	116.1	A89 L90 D339 D347 Y416 E419 D446 Y452	A89-R341 PolarHBondContact O-N 2.98Å; A89-R341 VanDerWaalsContact O-N 3.13Å; L90-R341 HydrophobicContact CD1-CG 4.26Å; L90-R341 VanDerWaalsContact CD1-CZ 3.4Å; D339-R341 IonicContact OD1-CZ 3.65Å; D339-R341 IonicContact OD1-NH1 3.61Å; D339-R341 PolarHBondContact OD1-NH1 2.97Å; D339-R341 IonicContact OD2-CZ 3.69Å; D339-R341 IonicContact OD2-NH1 3.81Å; D339-R341 PolarHBondContact OD2-NH1 2.96Å; R341-D347 PolarHBondContact N-OD2 3.25Å; R341-Y416 HydrophobicContact CB-CD1 4.29Å; R341-Y416 HydrophobicContact CB-CD2 4.42Å; R341-Y416 HydrophobicContact CB-CE1 3.71Å; R341-Y416 HydrophobicContact CB-CE2 3.87Å; R341-Y416 WeakPolarHBondContact CD-OH 3.15Å; R341-Y416 HydrophobicContact CG-CE1 4.2Å; R341-Y416 HydrophobicContact CG-CE2 3.66Å; R341-Y416 VanDerWaalsContact CG-CZ 3.47Å; R341-Y416 VanDerWaalsContact CG-OH 3.29Å; R341-Y416 WeakPolarHBondContact CG-OH 3.4Å; R341-Y416 PolarHBondContact NE-OH 3.49Å; R341-E419 IonicContact CZ-OE2 3.32Å; R341-E419 IonicContact NE-OE2 2.75Å; R341-E419 PolarHBondContact NE-OE2 3.15Å; R341-E419 IonicContact NH2-OE2 3.19Å; R341-E419 PolarHBondContact NH2-OE2 3.31Å; R341-D446 IonicContact NE-OD2 2.8Å; R341-Y452 VanDerWaalsContact O-CE1 3.27Å; R341-Y452 WeakPolarHBondContact O-CE1 3.1Å; R341-Y452 PolarHBondContact O-OH 3.36Å
342	Q	97.7	Very high	97.8	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.026	C	C	.	.			trans	-97.8	154	177.7	-52.3	-58.8	-40.2	0	0	111	H267 L336 Y344 F346 D347 I348 E445 Y452	H267-Q342 PolarHBondContact CE1-OE1 3.36Å; H267-Q342 PolarHBondContact NE2-OE1 3.22Å; L336-Q342 HydrophobicContact CD1-CG 3.63Å; Q342-Y344 HydrophobicContact CB-CD2 3.75Å; Q342-Y344 HydrophobicContact CB-CE2 4.27Å; Q342-Y344 PolarHBondContact O-N 3.33Å; Q342-F346 HydrophobicContact CB-CE2 3.84Å; Q342-F346 HydrophobicContact CB-CZ 4.29Å; Q342-F346 HydrophobicContact CG-CE2 4.29Å; Q342-D347 WeakPolarHBondContact CA-OD2 3.49Å; Q342-D347 VanDerWaalsContact CB-OD2 3.24Å; Q342-D347 WeakPolarHBondContact CB-OD2 3.27Å; Q342-D347 PolarHBondContact N-OD2 2.89Å; Q342-D347 VanDerWaalsContact O-CB 3.27Å; Q342-D347 WeakPolarHBondContact O-CB 3.39Å; Q342-I348 WeakPolarHBondContact O-CG2 3.21Å; Q342-E445 PolarHBondContact NE2-O 2.72Å; Q342-Y452 PolarHBondContact O-OH 3.12Å
343	L	97.6	Very high	97.8	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.028	C	C	.	.	S	Bend	trans	-69.6	-14.9	-179.9	62.7	107.3	0	0	0	114.3	I348 Y452 Q465 F469 Y479	L343-I348 WeakPolarHBondContact O-CD1 3.38Å; L343-Y452 HydrophobicContact CB-CD2 4.1Å; L343-Y452 HydrophobicContact CB-CE1 4.44Å; L343-Y452 HydrophobicContact CB-CE2 3.71Å; L343-Y452 PolarHBondContact N-OH 3.1Å; L343-Q465 PolarHBondContact O-NE2 3Å; L343-F469 HydrophobicContact CD2-CE2 3.66Å; L343-F469 HydrophobicContact CD2-CZ 3.38Å; L343-Y479 HydrophobicContact CD1-CE2 3.98Å
344	Y	98.4	Very high	97.9	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.028	C	C	.	.	S	Bend	trans	-76.2	156.8	-168.8	-53.9	-69.7	0	0	0	112.6	K266 I270 F334 Q342 F346 D347 I348 E477 Y479 Q487	K266-Y344 WeakPolarHBondContact CD-OH 3.26Å; I270-Y344 HydrophobicContact CD1-CE2 4.07Å; I270-Y344 HydrophobicContact CG1-CE2 4.16Å; F334-Y344 HydrophobicContact CD2-CD2 4.05Å; F334-Y344 AromaticContact CD2-CE2 3.84Å; F334-Y344 HydrophobicContact CD2-CE2 3.84Å; F334-Y344 HydrophobicContact CD2-CG 4.5Å; F334-Y344 AromaticContact CE2-CD1 3.85Å; F334-Y344 HydrophobicContact CE2-CD1 3.85Å; F334-Y344 AromaticContact CE2-CD2 3.91Å; F334-Y344 HydrophobicContact CE2-CD2 3.91Å; F334-Y344 AromaticContact CE2-CE1 3.87Å; F334-Y344 HydrophobicContact CE2-CE1 3.87Å; F334-Y344 AromaticContact CE2-CE2 3.89Å; F334-Y344 HydrophobicContact CE2-CE2 3.89Å; F334-Y344 AromaticContact CE2-CG 3.9Å; F334-Y344 HydrophobicContact CE2-CG 3.9Å; F334-Y344 AromaticContact CE2-CZ 3.91Å; Q342-Y344 HydrophobicContact CB-CD2 3.75Å; Q342-Y344 HydrophobicContact CB-CE2 4.27Å; Q342-Y344 PolarHBondContact O-N 3.33Å; Y344-F346 VanDerWaalsContact CB-CZ 3.46Å; Y344-F346 AromaticContact CD2-CE1 3.72Å; Y344-F346 HydrophobicContact CD2-CE1 3.72Å; Y344-F346 HydrophobicContact CD2-CE2 4.01Å; Y344-F346 AromaticContact CD2-CZ 3.26Å; Y344-F346 HydrophobicContact CD2-CZ 3.26Å; Y344-F346 HydrophobicContact CE2-CZ 4.31Å; Y344-F346 HydrophobicContact CG-CD1 4.47Å; Y344-F346 AromaticContact CG-CE1 3.66Å; Y344-F346 HydrophobicContact CG-CE1 3.66Å; Y344-F346 HydrophobicContact CG-CE2 4.41Å; Y344-F346 AromaticContact CG-CZ 3.68Å; Y344-F346 HydrophobicContact CG-CZ 3.68Å; Y344-F346 PolarHBondContact O-N 3.38Å; Y344-D347 PolarHBondContact O-N 2.92Å; Y344-I348 WeakPolarHBondContact O-CG1 3.24Å; Y344-I348 PolarHBondContact O-N 3.16Å; Y344-E477 WeakPolarHBondContact CE1-OE2 3.38Å; Y344-E477 PolarHBondContact OH-OE1 2.8Å; Y344-E477 PolarHBondContact OH-OE2 2.82Å; Y344-Y479 HydrophobicContact CD1-CE2 4.36Å; Y344-Y479 AromaticContact CE1-CE2 3.86Å; Y344-Y479 HydrophobicContact CE1-CE2 3.86Å; Y344-Y479 AromaticContact CE1-CZ 3.89Å; Y344-Q487 HydrophobicContact CD1-CB 3.97Å; Y344-Q487 HydrophobicContact CE1-CB 4.48Å
345	E	98.1	Very high	97.9	Very high	15 Å²	15	7.4 Å²	7.4	7%	0.07	3%	0.033	C	C	.	.	H	α-helix	trans	-52.5	-28	-175.6	-67.9	-97	141.5	0	0	113.1	V60 Y85 D347 K349 R456 L481 Q487	V60-E345 HydrophobicContact CG1-CB 4.07Å; Y85-E345 VanDerWaalsContact CE1-OE1 3.26Å; Y85-E345 WeakPolarHBondContact CE1-OE1 3.21Å; Y85-E345 PolarHBondContact OH-OE1 3.24Å; Y85-E345 PolarHBondContact OH-OE2 2.76Å; E345-D347 VanDerWaalsContact C-N 3.26Å; E345-D347 PolarHBondContact O-N 3.17Å; E345-K349 HydrophobicContact CB-CB 4.47Å; E345-K349 WeakPolarHBondContact O-CB 3.32Å; E345-K349 PolarHBondContact O-N 2.95Å; E345-K349 WeakPolarHBondContact OE2-CD 3.08Å; E345-K349 IonicContact OE2-NZ 2.73Å; E345-R456 IonicContact OE1-CZ 3.62Å; E345-R456 IonicContact OE1-NE 3.22Å; E345-R456 PolarHBondContact OE1-NE 2.99Å; E345-R456 IonicContact OE1-NH2 2.98Å; E345-R456 PolarHBondContact OE1-NH2 3.39Å; E345-R456 VanDerWaalsContact OE1-NH2 3.1Å; E345-L481 HydrophobicContact CG-CD1 3.7Å; E345-Q487 VanDerWaalsContact CG-OE1 3.28Å
346	F	97.4	Very high	98	Very high	4 Å²	4	8 Å²	8	2%	0.018	4%	0.04	C	C	.	.	H	α-helix	trans	-65.2	-25.7	177.9	52.7	-115	0	0	0	115	V60 L61 G328 Y329 H330 Q333 F334 Q342 Y344	V60-F346 HydrophobicContact CG2-CB 3.63Å; L61-F346 HydrophobicContact CD1-CB 4.22Å; L61-F346 HydrophobicContact CG-CB 4.29Å; G328-F346 CarbonylContact C-O 3.36Å; G328-F346 WeakPolarHBondContact CA-O 3.14Å; Y329-F346 PolarHBondContact N-O 3.46Å; H330-F346 HydrophobicContact CB-CD2 3.46Å; H330-F346 VanDerWaalsContact CB-CD2 3.46Å; H330-F346 HydrophobicContact CB-CE2 3.53Å; H330-F346 HydrophobicContact CB-CG 4.1Å; H330-F346 HydrophobicContact CB-CZ 4.23Å; H330-F346 AromaticContact CG-CE2 3.77Å; H330-F346 AromaticContact ND1-CE2 3.63Å; Q333-F346 HydrophobicContact CB-CD1 3.76Å; Q333-F346 HydrophobicContact CB-CE1 3.35Å; Q333-F346 HydrophobicContact CB-CG 4.5Å; Q333-F346 HydrophobicContact CB-CZ 3.79Å; Q333-F346 HydrophobicContact CG-CD1 3.66Å; Q333-F346 HydrophobicContact CG-CE1 3.81Å; Q333-F346 HydrophobicContact CG-CG 4.34Å; F334-F346 HydrophobicContact CD2-CE1 4.08Å; F334-F346 HydrophobicContact CD2-CZ 4.25Å; F334-F346 AromaticContact CE2-CE1 3.9Å; F334-F346 HydrophobicContact CE2-CE1 3.9Å; F334-F346 HydrophobicContact CE2-CZ 4.42Å; Q342-F346 HydrophobicContact CB-CE2 3.84Å; Q342-F346 HydrophobicContact CB-CZ 4.29Å; Q342-F346 HydrophobicContact CG-CE2 4.29Å; Y344-F346 VanDerWaalsContact CB-CZ 3.46Å; Y344-F346 AromaticContact CD2-CE1 3.72Å; Y344-F346 HydrophobicContact CD2-CE1 3.72Å; Y344-F346 HydrophobicContact CD2-CE2 4.01Å; Y344-F346 AromaticContact CD2-CZ 3.26Å; Y344-F346 HydrophobicContact CD2-CZ 3.26Å; Y344-F346 HydrophobicContact CE2-CZ 4.31Å; Y344-F346 HydrophobicContact CG-CD1 4.47Å; Y344-F346 AromaticContact CG-CE1 3.66Å; Y344-F346 HydrophobicContact CG-CE1 3.66Å; Y344-F346 HydrophobicContact CG-CE2 4.41Å; Y344-F346 AromaticContact CG-CZ 3.68Å; Y344-F346 HydrophobicContact CG-CZ 3.68Å; Y344-F346 PolarHBondContact O-N 3.38Å
347	D	98.4	Very high	98	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-105.1	-27.9	180	-81.8	-1.7	0	0	0	112	A89 G328 Y329 H330 K340 R341 Q342 Y344 E345	A89-D347 HydrophobicContact CB-CB 3.95Å; G328-D347 WeakPolarHBondContact CA-O 3.49Å; G328-D347 PolarHBondContact N-O 3.46Å; Y329-D347 VanDerWaalsContact C-OD1 3.28Å; Y329-D347 WeakPolarHBondContact CA-OD1 3.4Å; H330-D347 IonicContact CE1-OD2 2.81Å; H330-D347 IonicContact CG-OD1 3.55Å; H330-D347 PolarHBondContact N-OD1 2.75Å; H330-D347 VanDerWaalsContact N-OD1 3.15Å; H330-D347 IonicContact ND1-OD1 2.71Å; H330-D347 PolarHBondContact ND1-OD1 2.98Å; H330-D347 IonicContact ND1-OD2 2.87Å; H330-D347 PolarHBondContact ND1-OD2 3.03Å; K340-D347 WeakPolarHBondContact CA-OD2 3.47Å; R341-D347 PolarHBondContact N-OD2 3.25Å; Q342-D347 WeakPolarHBondContact CA-OD2 3.49Å; Q342-D347 VanDerWaalsContact CB-OD2 3.24Å; Q342-D347 WeakPolarHBondContact CB-OD2 3.27Å; Q342-D347 PolarHBondContact N-OD2 2.89Å; Q342-D347 VanDerWaalsContact O-CB 3.27Å; Q342-D347 WeakPolarHBondContact O-CB 3.39Å; Y344-D347 PolarHBondContact O-N 2.92Å; E345-D347 VanDerWaalsContact C-N 3.26Å; E345-D347 PolarHBondContact O-N 3.17Å
348	I	98.6	Very high	97.8	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-101.8	-19.8	-172.6	69	161.7	0	0	0	114.3	Y85 V86 A89 Q342 L343 Y344 V414	Y85-I348 CarbonylContact C-O 3.58Å; Y85-I348 VanDerWaalsContact CA-O 3.23Å; Y85-I348 WeakPolarHBondContact CA-O 3.3Å; Y85-I348 HydrophobicContact CD1-CD1 3.84Å; Y85-I348 HydrophobicContact CD1-CG1 3.96Å; Y85-I348 HydrophobicContact CE1-CD1 4.14Å; Y85-I348 HydrophobicContact CE1-CG1 4.33Å; V86-I348 HydrophobicContact CG2-CB 4.44Å; V86-I348 PolarHBondContact N-O 3.25Å; A89-I348 HydrophobicContact CB-CG2 4.21Å; Q342-I348 WeakPolarHBondContact O-CG2 3.21Å; L343-I348 WeakPolarHBondContact O-CD1 3.38Å; Y344-I348 WeakPolarHBondContact O-CG1 3.24Å; Y344-I348 PolarHBondContact O-N 3.16Å; I348-V414 HydrophobicContact CD1-CG2 4.07Å; I348-V414 HydrophobicContact CG2-CG1 3.81Å
349	K	98.6	Very high	97.9	Very high	38 Å²	38	12.7 Å²	12.7	17%	0.165	8%	0.083	C	C	.	.	B	Isolated β-bridge	trans	-100.5	125.8	-178.8	-174.6	170.3	173.8	175	0	111	E59 V60 S82 A84 Y85 E345	E59-K349 HydrophobicContact CB-CG 4.19Å; E59-K349 HydrophobicContact CG-CG 4.42Å; E59-K349 PolarHBondContact N-O 3.31Å; V60-K349 HydrophobicContact CG1-CB 4.3Å; V60-K349 HydrophobicContact CG1-CD 4Å; V60-K349 HydrophobicContact CG1-CG 4.47Å; S82-K349 WeakPolarHBondContact O-CE 3.34Å; S82-K349 PolarHBondContact O-NZ 2.48Å; S82-K349 VanDerWaalsContact O-NZ 3.11Å; A84-K349 WeakPolarHBondContact O-CA 3.27Å; Y85-K349 HydrophobicContact CD1-CB 4.15Å; Y85-K349 HydrophobicContact CE1-CB 3.94Å; Y85-K349 HydrophobicContact CE1-CD 4.24Å; Y85-K349 HydrophobicContact CE1-CG 4.23Å; E345-K349 HydrophobicContact CB-CB 4.47Å; E345-K349 WeakPolarHBondContact O-CB 3.32Å; E345-K349 PolarHBondContact O-N 2.95Å; E345-K349 WeakPolarHBondContact OE2-CD 3.08Å; E345-K349 IonicContact OE2-NZ 2.73Å
350	V	98.8	Very high	97.8	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.012	11%	0.11	C	C	.	.			trans	-124.2	156.4	-173	-67.4	0	0	0	0	111.2	A84 V86	A84-V350 HydrophobicContact CB-CG2 4.47Å; A84-V350 WeakPolarHBondContact CB-O 3.49Å; A84-V350 PolarHBondContact O-N 2.85Å; V86-V350 HydrophobicContact CG1-CB 4.19Å; V86-V350 HydrophobicContact CG1-CG1 3.47Å; V86-V350 VanDerWaalsContact CG1-CG1 3.47Å; V86-V350 HydrophobicContact CG1-CG2 3.61Å
351	P	98.7	Very high	97.9	Very high	1 Å²	1	22 Å²	22	1%	0.006	13%	0.129	C	C	.	.			trans	-63	144.4	170.8	24.6	-34.2	0	0	0	111.1	Q57 E59 M64 Y323 T324	Q57-P351 HydrophobicContact CG-CG 4.36Å; E59-P351 WeakPolarHBondContact OE2-CA 3.42Å; E59-P351 WeakPolarHBondContact OE2-CB 3.36Å; M64-P351 HydrophobicContact CG-CB 3.64Å; M64-P351 HydrophobicContact CG-CG 4.21Å; M64-P351 HydrophobicContact SD-CB 3.41Å; M64-P351 WeakPolarHBondContact SD-CB 3.23Å; M64-P351 HydrophobicContact SD-CG 3.78Å; Y323-P351 HydrophobicContact CE1-CG 4.29Å; T324-P351 VanDerWaalsContact CA-O 3.24Å; T324-P351 WeakPolarHBondContact CA-O 3.44Å; T324-P351 WeakPolarHBondContact CB-O 3.16Å; T324-P351 PolarHBondContact OG1-O 2.93Å
352	L	98.9	Very high	97.9	Very high	6 Å²	6	27 Å²	27	3%	0.031	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	110.8	164	177.9	65.7	0	0	0	110.7	F81 A84 Y323 V354 V369 L374 L396	F81-L352 HydrophobicContact CB-CB 4.15Å; F81-L352 HydrophobicContact CB-CD2 4.06Å; F81-L352 HydrophobicContact CB-CG 4.32Å; F81-L352 HydrophobicContact CD2-CD2 3.74Å; F81-L352 HydrophobicContact CD2-CG 3.94Å; F81-L352 HydrophobicContact CE2-CD2 4.34Å; F81-L352 HydrophobicContact CG-CD2 3.9Å; F81-L352 HydrophobicContact CG-CG 4.38Å; F81-L352 PolarHBondContact N-O 2.92Å; A84-L352 HydrophobicContact CB-CB 3.54Å; A84-L352 HydrophobicContact CB-CD2 4.18Å; Y323-L352 WeakPolarHBondContact O-CA 3.48Å; L352-V354 HydrophobicContact CD1-CG2 4.24Å; L352-V354 HydrophobicContact CG-CG2 4.29Å; L352-V369 HydrophobicContact CD2-CG2 3.69Å; L352-L374 HydrophobicContact CD1-CD2 4.23Å; L352-L396 HydrophobicContact CD2-CD1 4.07Å
353	L	98.9	Very high	97.9	Very high	8 Å²	8	30.7 Å²	30.7	4%	0.042	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	138.5	175.9	-46.5	179.8	0	0	0	109.8	M64 T70 I74 T80 F322 Y323	M64-L353 HydrophobicContact CE-CD1 3.64Å; M64-L353 HydrophobicContact CE-CG 4.36Å; T70-L353 HydrophobicContact CG2-CD1 4.06Å; I74-L353 HydrophobicContact CB-CB 4.3Å; I74-L353 HydrophobicContact CG2-CB 3.64Å; T80-L353 HydrophobicContact CG2-CD2 3.63Å; T80-L353 WeakPolarHBondContact OG1-CD2 3.36Å; F322-L353 CarbonylContact C-O 3.56Å; F322-L353 WeakPolarHBondContact CA-O 3.44Å; Y323-L353 PolarHBondContact N-O 3.31Å; Y323-L353 PolarHBondContact O-N 3.3Å
354	V	98.8	Very high	97.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	120.9	-179.7	-167	0	0	0	0	111.4	G78 M79 F81 I321 F322 L352 I359 L400	G78-V354 CarbonylContact C-O 3.48Å; G78-V354 WeakPolarHBondContact CA-O 3.44Å; M79-V354 PolarHBondContact N-O 3.44Å; M79-V354 PolarHBondContact O-N 3.45Å; F81-V354 HydrophobicContact CD2-CG2 4.24Å; F81-V354 HydrophobicContact CE2-CG2 3.87Å; I321-V354 WeakPolarHBondContact O-CA 3.46Å; F322-V354 HydrophobicContact CD1-CB 4.26Å; F322-V354 HydrophobicContact CD1-CG1 3.79Å; F322-V354 HydrophobicContact CD1-CG2 3.51Å; F322-V354 HydrophobicContact CD2-CG1 4.49Å; F322-V354 HydrophobicContact CE1-CB 4.3Å; F322-V354 HydrophobicContact CE1-CG1 3.53Å; F322-V354 HydrophobicContact CE1-CG2 3.71Å; F322-V354 HydrophobicContact CE2-CG1 4.28Å; F322-V354 HydrophobicContact CG-CG1 4.25Å; F322-V354 HydrophobicContact CG-CG2 4.41Å; F322-V354 HydrophobicContact CZ-CG1 3.79Å; L352-V354 HydrophobicContact CD1-CG2 4.24Å; L352-V354 HydrophobicContact CG-CG2 4.29Å; V354-I359 HydrophobicContact CB-CD1 4.45Å; V354-I359 HydrophobicContact CG1-CD1 3.79Å; V354-L400 HydrophobicContact CB-CD2 3.95Å; V354-L400 HydrophobicContact CG1-CD1 3.94Å; V354-L400 HydrophobicContact CG1-CD2 3.88Å; V354-L400 HydrophobicContact CG2-CD2 4.26Å
355	R	98.6	Very high	97.7	Very high	32 Å²	32	36 Å²	36	12%	0.121	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	149.5	169.1	167.8	173.2	-165.1	174.3	3.6	109.6	L73 I74 Y320 I321	L73-R355 WeakPolarHBondContact O-CD 3.47Å; L73-R355 PolarHBondContact O-NH1 3.02Å; I74-R355 HydrophobicContact CG2-CB 3.98Å; Y320-R355 CarbonylContact C-O 3.59Å; Y320-R355 VanDerWaalsContact CA-O 3.27Å; Y320-R355 WeakPolarHBondContact CA-O 3.37Å; I321-R355 PolarHBondContact N-O 3.21Å; I321-R355 PolarHBondContact O-N 2.6Å
356	G	98	Very high	97.5	Very high	14 Å²	14	43.2 Å²	43.2	14%	0.144	24%	0.238	C	C	.	.			trans	163.1	-178.7	171.4	0	0	0	0	0	115.5	T319 G358 I359	T319-G356 WeakPolarHBondContact O-CA 3.43Å; G356-G358 PolarHBondContact O-N 3.22Å; G356-I359 WeakPolarHBondContact O-CB 3.21Å; G356-I359 PolarHBondContact O-N 3.07Å; G356-I359 VanDerWaalsContact O-N 3.16Å
357	P	96.5	Very high	97.3	Very high	32 Å²	32	46.7 Å²	46.7	21%	0.208	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	127.9	179.2	-21.2	25.8	0	0	0	112.8	N317 Y320 I359	N317-P357 WeakPolarHBondContact O-CG 3.37Å; Y320-P357 HydrophobicContact CD2-CG 4.11Å; Y320-P357 HydrophobicContact CE2-CB 4.17Å; Y320-P357 HydrophobicContact CE2-CG 3.74Å; Y320-P357 PolarHBondContact OH-O 3.26Å; P357-I359 PolarHBondContact O-N 3.36Å
358	G	94.2	Very high	97.1	Very high	68 Å²	68	46.9 Å²	46.9	70%	0.701	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-4	177	0	0	0	0	0	115.4	G356	G356-G358 PolarHBondContact O-N 3.22Å
359	I	97.3	Very high	97.1	Very high	16 Å²	16	46.9 Å²	46.9	8%	0.082	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-87.9	123.6	173.6	-52.2	177.5	0	0	0	108	M79 Y320 V354 G356 P357 L400	M79-I359 HydrophobicContact CB-CG2 3.94Å; Y320-I359 HydrophobicContact CD1-CD1 4.11Å; Y320-I359 HydrophobicContact CE1-CD1 4.03Å; Y320-I359 HydrophobicContact CE1-CG1 4.4Å; V354-I359 HydrophobicContact CB-CD1 4.45Å; V354-I359 HydrophobicContact CG1-CD1 3.79Å; G356-I359 WeakPolarHBondContact O-CB 3.21Å; G356-I359 PolarHBondContact O-N 3.07Å; G356-I359 VanDerWaalsContact O-N 3.16Å; P357-I359 PolarHBondContact O-N 3.36Å; I359-L400 HydrophobicContact CD1-CB 4.01Å; I359-L400 HydrophobicContact CD1-CD1 4.28Å; I359-L400 HydrophobicContact CD1-CD2 3.91Å; I359-L400 HydrophobicContact CD1-CG 4.28Å; I359-L400 HydrophobicContact CG1-CB 4.08Å
360	K	96.3	Very high	97	Very high	149 Å²	149	45.4 Å²	45.4	65%	0.648	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-69.2	150.1	174.1	-65.7	178.8	-177.2	176.1	0	109.8	G78 Q363	G78-K360 CarbonylContact C-O 3.38Å; K360-Q363 HydrophobicContact CB-CG 3.86Å; K360-Q363 WeakPolarHBondContact O-CG 3.24Å
361	P	97.5	Very high	97	Very high	66 Å²	66	45.5 Å²	45.5	43%	0.429	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	159.7	169.1	-23.2	34.6	0	0	0	112.5	E76 Q363	E76-P361 CarbonylContact O-C 3.52Å; E76-P361 WeakPolarHBondContact O-CA 3.29Å; E76-P361 WeakPolarHBondContact O-CB 3.22Å; P361-Q363 VanDerWaalsContact C-N 3.29Å; P361-Q363 PolarHBondContact O-N 2.99Å; P361-Q363 PolarHBondContact O-NE2 3.43Å
362	N	97.8	Very high	97	Very high	116 Å²	116	45.5 Å²	45.5	62%	0.62	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	39.6	172.9	-62.1	-54.5	0	0	0	114.1	E76 G78	E76-N362 PolarHBondContact O-N 3.08Å; E76-N362 PolarHBondContact O-OD1 3.45Å; G78-N362 PolarHBondContact O-N 3.43Å
363	Q	97.7	Very high	97	Very high	77 Å²	77	45.2 Å²	45.2	36%	0.36	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	147.3	175.3	-56.6	-58.5	-69.8	0	0	110.8	G78 M79 T80 K360 P361	G78-Q363 PolarHBondContact O-N 2.93Å; M79-Q363 WeakPolarHBondContact CA-O 3.31Å; M79-Q363 HydrophobicContact CB-CB 3.98Å; M79-Q363 HydrophobicContact CE-CB 4.03Å; M79-Q363 HydrophobicContact CG-CB 4Å; T80-Q363 PolarHBondContact N-O 3.34Å; K360-Q363 HydrophobicContact CB-CG 3.86Å; K360-Q363 WeakPolarHBondContact O-CG 3.24Å; P361-Q363 VanDerWaalsContact C-N 3.29Å; P361-Q363 PolarHBondContact O-N 2.99Å; P361-Q363 PolarHBondContact O-NE2 3.43Å
364	T	97	Very high	97	Very high	99 Å²	99	44.9 Å²	44.9	61%	0.607	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131.7	129.7	169.9	-60.8	0	0	0	0	108.8	T80	T80-T364 CarbonylContact O-C 3.57Å; T80-T364 VanDerWaalsContact O-CA 3.31Å; T80-T364 WeakPolarHBondContact O-CA 3.48Å
365	S	95.4	Very high	97	Very high	12 Å²	12	44.9 Å²	44.9	8%	0.084	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.7	174.4	-178.4	0	0	0	0	110.2	T80 F81 S82 M367	T80-S365 PolarHBondContact O-N 3.23Å; F81-S365 WeakPolarHBondContact CA-O 3.5Å; S82-S365 PolarHBondContact N-O 3.16Å; S82-S365 PolarHBondContact OG-O 3.18Å; S365-M367 WeakPolarHBondContact OG-CB 3.46Å; S365-M367 WeakPolarHBondContact OG-CG 3.45Å; S365-M367 PolarHBondContact OG-N 3.45Å
366	K	93.4	Very high	97	Very high	166 Å²	166	43.4 Å²	43.4	72%	0.722	24%	0.243	S	C	*	.			trans	-93	0.1	172.8	-63.5	-175.5	178.4	-178.3	0	112.9	S83 L368	S83-K366 PolarHBondContact OG-O 2.98Å; K366-L368 PolarHBondContact O-N 3.03Å
367	M	93	Very high	97	Very high	78 Å²	78	42.8 Å²	42.8	38%	0.384	24%	0.237	S	C	.	.			trans	-57.7	136.5	179.8	-66.8	-65	-170.1	0	0	109.9	S365 V369 I399 W408	S365-M367 WeakPolarHBondContact OG-CB 3.46Å; S365-M367 WeakPolarHBondContact OG-CG 3.45Å; S365-M367 PolarHBondContact OG-N 3.45Å; M367-V369 HydrophobicContact CB-CG1 4.47Å; M367-V369 PolarHBondContact O-N 3.39Å; M367-I399 HydrophobicContact CB-CD1 4.08Å; M367-I399 HydrophobicContact CG-CD1 4.1Å; M367-I399 HydrophobicContact CG-CG2 4.43Å; M367-W408 HydrophobicContact SD-CB 4.41Å; M367-W408 HydrophobicContact SD-CG 4.43Å
368	L	95.2	Very high	97.1	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	23%	0.227	C	C	.	.			trans	-74.4	113.4	178.9	-176.8	66.5	0	0	0	109.9	Y85 K366 W408 S410 V412 R456 M458	Y85-L368 HydrophobicContact CD2-CD1 3.41Å; Y85-L368 VanDerWaalsContact CD2-CD1 3.41Å; Y85-L368 HydrophobicContact CE2-CD1 3.28Å; K366-L368 PolarHBondContact O-N 3.03Å; L368-W408 PolarHBondContact O-NE1 3.49Å; L368-S410 VanDerWaalsContact CD2-C 3.47Å; L368-S410 VanDerWaalsContact CD2-O 3.27Å; L368-S410 WeakPolarHBondContact CD2-O 3.46Å; L368-V412 HydrophobicContact CD1-CG2 4.05Å; L368-V412 HydrophobicContact CD2-CB 4.37Å; L368-V412 HydrophobicContact CD2-CG1 3.9Å; L368-V412 HydrophobicContact CD2-CG2 4.07Å; L368-V412 HydrophobicContact CG-CG1 3.81Å; L368-V412 HydrophobicContact CG-CG2 4.14Å; L368-R456 HydrophobicContact CD1-CG 4.47Å; L368-R456 WeakPolarHBondContact CD2-O 3.47Å; L368-M458 HydrophobicContact CB-CB 4.23Å; L368-M458 HydrophobicContact CD1-CB 4.24Å; L368-M458 HydrophobicContact CD1-CG 4Å; L368-M458 HydrophobicContact CD1-SD 3.88Å; L368-M458 HydrophobicContact CD2-CB 4.35Å
369	V	97.5	Very high	97.4	Very high	1 Å²	1	38 Å²	38	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	156.3	-176.7	-58.5	0	0	0	0	110.3	F81 S83 A84 Y85 L352 M367 L396 W408	F81-V369 HydrophobicContact CB-CG2 4.07Å; F81-V369 HydrophobicContact CD1-CB 4.41Å; F81-V369 HydrophobicContact CD1-CG1 3.64Å; F81-V369 HydrophobicContact CD1-CG2 3.83Å; F81-V369 HydrophobicContact CE1-CG1 3.72Å; F81-V369 HydrophobicContact CG-CG2 4.11Å; S83-V369 PolarHBondContact O-N 3.49Å; A84-V369 WeakPolarHBondContact CA-O 3.43Å; A84-V369 HydrophobicContact CB-CG2 3.67Å; Y85-V369 PolarHBondContact N-O 2.71Å; L352-V369 HydrophobicContact CD2-CG2 3.69Å; M367-V369 HydrophobicContact CB-CG1 4.47Å; M367-V369 PolarHBondContact O-N 3.39Å; V369-L396 HydrophobicContact CB-CD2 4Å; V369-L396 HydrophobicContact CG1-CD2 3.44Å; V369-L396 VanDerWaalsContact CG1-CD2 3.44Å; V369-W408 HydrophobicContact CG1-CZ2 4.11Å
370	A	98.4	Very high	97.4	Very high	7 Å²	7	39.6 Å²	39.6	6%	0.058	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	161.2	177.3	0	0	0	0	0	112.8	Y85 I372 D373 V412	Y85-A370 CarbonylContact O-C 3.5Å; Y85-A370 WeakPolarHBondContact O-CA 3.47Å; A370-I372 HydrophobicContact CB-CG1 3.9Å; A370-I372 PolarHBondContact O-N 3.07Å; A370-D373 PolarHBondContact N-OD2 2.98Å; A370-D373 WeakPolarHBondContact O-CB 3.49Å; A370-D373 VanDerWaalsContact O-CG 3.32Å; A370-D373 PolarHBondContact O-N 3.03Å; A370-V412 HydrophobicContact CB-CB 4.42Å; A370-V412 HydrophobicContact CB-CG1 4Å
371	N	98.6	Very high	97.5	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.021	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-55.8	-25.2	179.4	-91.1	-2.8	0	0	0	114.3	Y85 V86 I98 S325 D373 L374	Y85-N371 PolarHBondContact O-N 3.22Å; V86-N371 WeakPolarHBondContact CG1-ND2 3.24Å; I98-N371 HydrophobicContact CD1-CB 4.38Å; I98-N371 HydrophobicContact CG1-CB 3.7Å; S325-N371 PolarHBondContact O-ND2 2.87Å; N371-D373 PolarHBondContact O-N 3.24Å; N371-L374 PolarHBondContact O-N 3.06Å
372	I	98.6	Very high	97.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-63	-15.4	171.6	55.3	166.7	0	0	0	114	P87 G101 K102 Y103 A370 P376 D392	P87-I372 HydrophobicContact CB-CG2 4.31Å; P87-I372 HydrophobicContact CG-CG2 4.05Å; G101-I372 WeakPolarHBondContact CA-O 3.13Å; K102-I372 VanDerWaalsContact C-CG2 3.49Å; K102-I372 WeakPolarHBondContact O-CG2 3.41Å; Y103-I372 HydrophobicContact CD1-CD1 4.12Å; Y103-I372 HydrophobicContact CD1-CG2 4.41Å; Y103-I372 HydrophobicContact CD2-CD1 4.21Å; Y103-I372 HydrophobicContact CE1-CD1 3.51Å; Y103-I372 HydrophobicContact CE1-CG1 4.42Å; Y103-I372 HydrophobicContact CE2-CD1 3.66Å; Y103-I372 HydrophobicContact CG-CD1 4.43Å; A370-I372 HydrophobicContact CB-CG1 3.9Å; A370-I372 PolarHBondContact O-N 3.07Å; I372-P376 WeakPolarHBondContact O-CD 3.17Å; I372-D392 HydrophobicContact CD1-CB 4.35Å
373	D	98.7	Very high	97.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-84.4	-18	-177.6	-61.8	-22.6	0	0	0	112.8	A370 N371 P376 T377 G393 M394 L396 R409	A370-D373 PolarHBondContact N-OD2 2.98Å; A370-D373 WeakPolarHBondContact O-CB 3.49Å; A370-D373 VanDerWaalsContact O-CG 3.32Å; A370-D373 PolarHBondContact O-N 3.03Å; N371-D373 PolarHBondContact O-N 3.24Å; D373-P376 WeakPolarHBondContact O-CD 3.3Å; D373-P376 WeakPolarHBondContact O-CG 3.38Å; D373-T377 VanDerWaalsContact O-CB 3.26Å; D373-T377 WeakPolarHBondContact O-CB 3.4Å; D373-T377 PolarHBondContact O-N 3.43Å; D373-T377 PolarHBondContact O-OG1 2.83Å; D373-G393 WeakPolarHBondContact OD1-CA 3.45Å; D373-M394 VanDerWaalsContact CB-O 3.26Å; D373-M394 WeakPolarHBondContact CB-O 3.32Å; D373-M394 PolarHBondContact OD1-N 2.89Å; D373-L396 HydrophobicContact CB-CD2 3.97Å; D373-L396 HydrophobicContact CB-CG 4.11Å; D373-R409 IonicContact OD1-CZ 3.98Å; D373-R409 IonicContact OD1-NH1 3.67Å; D373-R409 IonicContact OD1-NH2 3.39Å; D373-R409 PolarHBondContact OD1-NH2 3.4Å; D373-R409 IonicContact OD2-CZ 3.18Å; D373-R409 IonicContact OD2-NH2 3.92Å; D373-R409 PolarHBondContact OD2-NH2 2.78Å; D373-R409 VanDerWaalsContact OD2-NH2 3.09Å
374	L	98.8	Very high	97.4	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-64.9	-50.4	-178.1	-62.9	173.1	0	0	0	111.2	L51 I98 F322 T324 L352 N371 T377 I378	L51-L374 HydrophobicContact CD1-CD1 4.36Å; I98-L374 HydrophobicContact CG1-CD1 4.23Å; I98-L374 HydrophobicContact CG2-CB 4.46Å; I98-L374 HydrophobicContact CG2-CD1 4.12Å; F322-L374 HydrophobicContact CD1-CD2 4.13Å; T324-L374 HydrophobicContact CG2-CD1 3.92Å; L352-L374 HydrophobicContact CD1-CD2 4.23Å; N371-L374 PolarHBondContact O-N 3.06Å; L374-T377 WeakPolarHBondContact O-CB 3.4Å; L374-T377 PolarHBondContact O-N 3.24Å; L374-I378 WeakPolarHBondContact O-CG1 3.25Å; L374-I378 PolarHBondContact O-N 3.02Å
375	G	98.5	Very high	97.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-51.7	-58	177.6	0	0	0	0	0	114.3	T377 I378 L379	G375-T377 VanDerWaalsContact C-N 3.32Å; G375-T377 PolarHBondContact O-N 3.18Å; G375-I378 PolarHBondContact O-N 3.22Å; G375-L379 WeakPolarHBondContact O-CG 3.32Å; G375-L379 PolarHBondContact O-N 3.27Å; G375-L379 VanDerWaalsContact O-N 3.15Å
376	P	98.5	Very high	97.5	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-65.3	-32.5	178.2	23.6	-31.4	0	0	0	112.6	I372 D373 L379 D380 L386 M391	I372-P376 WeakPolarHBondContact O-CD 3.17Å; D373-P376 WeakPolarHBondContact O-CD 3.3Å; D373-P376 WeakPolarHBondContact O-CG 3.38Å; P376-L379 PolarHBondContact O-N 3.13Å; P376-D380 WeakPolarHBondContact O-CB 3.29Å; P376-D380 PolarHBondContact O-N 3.12Å; P376-L386 HydrophobicContact CB-CD1 4.29Å; P376-L386 HydrophobicContact CB-CD2 4.24Å; P376-L386 WeakPolarHBondContact O-CD2 3.34Å; P376-M391 HydrophobicContact CB-SD 3.9Å; P376-M391 HydrophobicContact CG-SD 4.25Å
377	T	98.8	Very high	97.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.2	-45.4	175.2	-58.4	0	0	0	0	112	F322 D373 L374 G375 L379 D380 I381 S395 L396 L400	F322-T377 HydrophobicContact CE1-CG2 4.15Å; F322-T377 HydrophobicContact CZ-CG2 3.84Å; D373-T377 VanDerWaalsContact O-CB 3.26Å; D373-T377 WeakPolarHBondContact O-CB 3.4Å; D373-T377 PolarHBondContact O-N 3.43Å; D373-T377 PolarHBondContact O-OG1 2.83Å; L374-T377 WeakPolarHBondContact O-CB 3.4Å; L374-T377 PolarHBondContact O-N 3.24Å; G375-T377 VanDerWaalsContact C-N 3.32Å; G375-T377 PolarHBondContact O-N 3.18Å; T377-L379 VanDerWaalsContact C-N 3.34Å; T377-D380 WeakPolarHBondContact O-CB 3.45Å; T377-D380 PolarHBondContact O-N 2.86Å; T377-I381 HydrophobicContact CG2-CD1 4.01Å; T377-I381 WeakPolarHBondContact O-CG1 3.41Å; T377-I381 PolarHBondContact O-N 2.84Å; T377-S395 WeakPolarHBondContact OG1-CA 3.22Å; T377-L396 HydrophobicContact CG2-CB 3.96Å; T377-L396 WeakPolarHBondContact OG1-CG 3.49Å; T377-L396 PolarHBondContact OG1-N 2.92Å; T377-L400 HydrophobicContact CG2-CD1 4.43Å
378	I	98.8	Very high	97.6	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-68.2	-37.8	-178	-60.5	164.3	0	0	0	110.3	V49 F132 L136 F226 L374 G375 I381 A382	V49-I378 HydrophobicContact CB-CG2 4.34Å; V49-I378 HydrophobicContact CG1-CG1 4.12Å; V49-I378 HydrophobicContact CG1-CG2 4.11Å; V49-I378 HydrophobicContact CG2-CG2 4.32Å; F132-I378 HydrophobicContact CD2-CB 4.25Å; F132-I378 HydrophobicContact CD2-CD1 4.26Å; F132-I378 HydrophobicContact CD2-CG2 4.23Å; F132-I378 HydrophobicContact CE1-CD1 4.45Å; F132-I378 HydrophobicContact CE2-CB 4.26Å; F132-I378 HydrophobicContact CE2-CD1 3.57Å; F132-I378 HydrophobicContact CE2-CG2 4.1Å; F132-I378 HydrophobicContact CZ-CD1 3.69Å; L136-I378 HydrophobicContact CD1-CG2 3.62Å; L136-I378 HydrophobicContact CD2-CG2 4.27Å; L136-I378 HydrophobicContact CG-CG2 4.45Å; F226-I378 HydrophobicContact CD2-CG2 4.16Å; F226-I378 HydrophobicContact CE2-CD1 3.92Å; F226-I378 HydrophobicContact CE2-CG2 4.36Å; F226-I378 HydrophobicContact CZ-CD1 4.3Å; L374-I378 WeakPolarHBondContact O-CG1 3.25Å; L374-I378 PolarHBondContact O-N 3.02Å; G375-I378 PolarHBondContact O-N 3.22Å; I378-I381 PolarHBondContact O-N 3.03Å; I378-A382 PolarHBondContact O-N 3.23Å; I378-A382 VanDerWaalsContact O-N 3.08Å
379	L	98.6	Very high	97.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.2	-40	172.7	-72.1	178.3	0	0	0	112.7	F132 I135 L136 G375 P376 T377 A382 G383 Y384 L386 T389 M391	F132-L379 HydrophobicContact CB-CD1 4.12Å; F132-L379 HydrophobicContact CB-CD2 4.49Å; F132-L379 HydrophobicContact CB-CG 4.09Å; I135-L379 HydrophobicContact CB-CD2 3.93Å; I135-L379 HydrophobicContact CD1-CD1 4.19Å; I135-L379 HydrophobicContact CG2-CD1 4.3Å; I135-L379 HydrophobicContact CG2-CD2 3.6Å; L136-L379 HydrophobicContact CD2-CD2 3.94Å; L136-L379 HydrophobicContact CG-CD2 3.88Å; G375-L379 WeakPolarHBondContact O-CG 3.32Å; G375-L379 PolarHBondContact O-N 3.27Å; G375-L379 VanDerWaalsContact O-N 3.15Å; P376-L379 PolarHBondContact O-N 3.13Å; T377-L379 VanDerWaalsContact C-N 3.34Å; L379-A382 WeakPolarHBondContact O-CB 3.43Å; L379-A382 PolarHBondContact O-N 3.2Å; L379-G383 PolarHBondContact O-N 2.82Å; L379-Y384 HydrophobicContact CB-CD1 4.43Å; L379-Y384 HydrophobicContact CD1-CD1 4.32Å; L379-Y384 HydrophobicContact CD2-CG 4.41Å; L379-Y384 WeakPolarHBondContact O-CB 3.06Å; L379-Y384 PolarHBondContact O-N 3.4Å; L379-L386 HydrophobicContact CB-CD2 3.68Å; L379-T389 HydrophobicContact CD1-CG2 3.89Å; L379-M391 HydrophobicContact CD1-CE 3.58Å; L379-M391 HydrophobicContact CD1-SD 3.93Å
380	D	98.1	Very high	97.5	Very high	49 Å²	49	31.9 Å²	31.9	26%	0.262	17%	0.173	S	C	.	.	H	α-helix	trans	-64.2	-43.3	175.7	-163.3	2.9	0	0	0	111.6	P376 T377 A382 G383 L386 S395 L397	P376-D380 WeakPolarHBondContact O-CB 3.29Å; P376-D380 PolarHBondContact O-N 3.12Å; T377-D380 WeakPolarHBondContact O-CB 3.45Å; T377-D380 PolarHBondContact O-N 2.86Å; D380-A382 PolarHBondContact O-N 3.42Å; D380-G383 WeakPolarHBondContact O-CA 3.23Å; D380-G383 PolarHBondContact O-N 3.36Å; D380-L386 HydrophobicContact CB-CD1 4.08Å; D380-L386 HydrophobicContact CB-CG 4.46Å; D380-S395 VanDerWaalsContact CB-OG 3.3Å; D380-S395 WeakPolarHBondContact CB-OG 3.47Å; D380-S395 WeakPolarHBondContact OD2-CB 3.39Å; D380-S395 PolarHBondContact OD2-OG 3.36Å; D380-L397 HydrophobicContact CB-CB 4.43Å; D380-L397 HydrophobicContact CB-CD2 4.07Å; D380-L397 WeakPolarHBondContact OD2-CB 3.33Å
381	I	98.1	Very high	97.5	Very high	7 Å²	7	31.8 Å²	31.8	4%	0.036	17%	0.171	C	C	.	.	H	α-helix	trans	-57.8	-38	173.6	-70.6	165	0	0	0	111.1	P47 V49 Y320 F322 T377 I378 G383 L397	P47-I381 HydrophobicContact CB-CG2 3.86Å; P47-I381 HydrophobicContact CG-CG2 4.11Å; V49-I381 HydrophobicContact CG2-CB 4.33Å; V49-I381 HydrophobicContact CG2-CD1 4.4Å; V49-I381 HydrophobicContact CG2-CG2 3.61Å; Y320-I381 HydrophobicContact CD1-CD1 4.01Å; Y320-I381 HydrophobicContact CD2-CD1 4.06Å; Y320-I381 HydrophobicContact CD2-CG1 4.36Å; Y320-I381 HydrophobicContact CD2-CG2 3.78Å; Y320-I381 HydrophobicContact CE1-CD1 4.37Å; Y320-I381 HydrophobicContact CE2-CD1 4.44Å; Y320-I381 HydrophobicContact CE2-CG1 4.33Å; Y320-I381 HydrophobicContact CE2-CG2 3.95Å; Y320-I381 HydrophobicContact CG-CD1 3.84Å; F322-I381 HydrophobicContact CE2-CD1 3.89Å; F322-I381 HydrophobicContact CZ-CD1 3.83Å; T377-I381 HydrophobicContact CG2-CD1 4.01Å; T377-I381 WeakPolarHBondContact O-CG1 3.41Å; T377-I381 PolarHBondContact O-N 2.84Å; I378-I381 PolarHBondContact O-N 3.03Å; I381-G383 PolarHBondContact O-N 3.15Å; I381-L397 HydrophobicContact CG1-CD1 3.84Å; I381-L397 HydrophobicContact CG1-CD2 4.12Å; I381-L397 HydrophobicContact CG1-CG 4.45Å
382	A	97.7	Very high	97.5	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.008	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-8	176.5	0	0	0	0	0	114.1	L136 C140 Y142 I378 L379 D380	L136-A382 HydrophobicContact CD2-CB 3.49Å; L136-A382 VanDerWaalsContact CD2-CB 3.49Å; C140-A382 HydrophobicContact CB-CB 3.97Å; Y142-A382 HydrophobicContact CD2-CB 4.25Å; Y142-A382 HydrophobicContact CE2-CB 3.44Å; Y142-A382 VanDerWaalsContact CE2-CB 3.44Å; Y142-A382 WeakPolarHBondContact OH-CA 3.43Å; I378-A382 PolarHBondContact O-N 3.23Å; I378-A382 VanDerWaalsContact O-N 3.08Å; L379-A382 WeakPolarHBondContact O-CB 3.43Å; L379-A382 PolarHBondContact O-N 3.2Å; D380-A382 PolarHBondContact O-N 3.42Å
383	G	96.7	Very high	97.4	Very high	59 Å²	59	31.6 Å²	31.6	61%	0.608	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.9	23.3	-177.2	0	0	0	0	0	113.8	L379 D380 I381	L379-G383 PolarHBondContact O-N 2.82Å; D380-G383 WeakPolarHBondContact O-CA 3.23Å; D380-G383 PolarHBondContact O-N 3.36Å; I381-G383 PolarHBondContact O-N 3.15Å
384	Y	97.6	Very high	97.3	Very high	39 Å²	39	33 Å²	33	15%	0.153	18%	0.177	C	C	.	.			trans	-78.7	139.7	175.4	-171.2	-98.2	0	0	0	111.1	I135 M139 L379 L386 K388 T389	I135-Y384 HydrophobicContact CG2-CD1 4.23Å; I135-Y384 HydrophobicContact CG2-CD2 3.95Å; I135-Y384 HydrophobicContact CG2-CE1 3.99Å; I135-Y384 HydrophobicContact CG2-CE2 3.68Å; I135-Y384 HydrophobicContact CG2-CG 4.21Å; M139-Y384 HydrophobicContact CB-CD2 3.98Å; M139-Y384 HydrophobicContact CB-CE2 3.67Å; M139-Y384 HydrophobicContact CG-CE2 3.92Å; L379-Y384 HydrophobicContact CB-CD1 4.43Å; L379-Y384 HydrophobicContact CD1-CD1 4.32Å; L379-Y384 HydrophobicContact CD2-CG 4.41Å; L379-Y384 WeakPolarHBondContact O-CB 3.06Å; L379-Y384 PolarHBondContact O-N 3.4Å; Y384-L386 PolarHBondContact O-N 3.22Å; Y384-L386 VanDerWaalsContact O-N 3.08Å; Y384-K388 HydrophobicContact CE1-CB 4Å; Y384-K388 WeakPolarHBondContact OH-CB 3.39Å; Y384-T389 HydrophobicContact CD1-CG2 4.09Å; Y384-T389 HydrophobicContact CE1-CG2 3.69Å
385	D	97.1	Very high	97.3	Very high	69 Å²	69	33.5 Å²	33.5	37%	0.369	18%	0.18	S	C	.	.			trans	-72.3	102.5	175.6	176.8	11.8	0	0	0	110.8	N387 K388	D385-N387 PolarHBondContact O-N 2.76Å; D385-N387 VanDerWaalsContact O-N 3.12Å; D385-N387 WeakPolarHBondContact OD1-CB 3.36Å; D385-N387 PolarHBondContact OD1-N 3.23Å; D385-N387 VanDerWaalsContact OD1-N 3.09Å; D385-N387 PolarHBondContact OD1-ND2 3.21Å; D385-K388 HydrophobicContact CB-CD 4.15Å; D385-K388 HydrophobicContact CB-CG 4.28Å; D385-K388 WeakPolarHBondContact O-CB 3.43Å; D385-K388 PolarHBondContact O-N 3.29Å; D385-K388 WeakPolarHBondContact OD2-CE 3.43Å
386	L	96.3	Very high	97.2	Very high	29 Å²	29	33.5 Å²	33.5	15%	0.152	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-61.5	-19.5	-178	-61.7	-174.9	0	0	0	114	P376 L379 D380 Y384 K388 T389	P376-L386 HydrophobicContact CB-CD1 4.29Å; P376-L386 HydrophobicContact CB-CD2 4.24Å; P376-L386 WeakPolarHBondContact O-CD2 3.34Å; L379-L386 HydrophobicContact CB-CD2 3.68Å; D380-L386 HydrophobicContact CB-CD1 4.08Å; D380-L386 HydrophobicContact CB-CG 4.46Å; Y384-L386 PolarHBondContact O-N 3.22Å; Y384-L386 VanDerWaalsContact O-N 3.08Å; L386-K388 PolarHBondContact O-N 3.2Å; L386-T389 HydrophobicContact CD2-CG2 4.5Å; L386-T389 WeakPolarHBondContact O-CB 3.43Å; L386-T389 PolarHBondContact O-N 3.16Å; L386-T389 PolarHBondContact O-OG1 2.8Å
387	N	94.6	Very high	97.2	Very high	135 Å²	135	33.7 Å²	33.7	72%	0.722	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-67.1	-16.9	175.7	-60.4	-54.8	0	0	0	112.6	D385 T389	D385-N387 PolarHBondContact O-N 2.76Å; D385-N387 VanDerWaalsContact O-N 3.12Å; D385-N387 WeakPolarHBondContact OD1-CB 3.36Å; D385-N387 PolarHBondContact OD1-N 3.23Å; D385-N387 VanDerWaalsContact OD1-N 3.09Å; D385-N387 PolarHBondContact OD1-ND2 3.21Å; N387-T389 VanDerWaalsContact C-N 3.31Å
388	K	95.2	Very high	97	Very high	141 Å²	141	35.8 Å²	35.8	61%	0.613	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-83.5	-8.5	174.6	-60.3	180	-177.9	175	0	113	Y384 D385 L386	Y384-K388 HydrophobicContact CE1-CB 4Å; Y384-K388 WeakPolarHBondContact OH-CB 3.39Å; D385-K388 HydrophobicContact CB-CD 4.15Å; D385-K388 HydrophobicContact CB-CG 4.28Å; D385-K388 WeakPolarHBondContact O-CB 3.43Å; D385-K388 PolarHBondContact O-N 3.29Å; D385-K388 WeakPolarHBondContact OD2-CE 3.43Å; L386-K388 PolarHBondContact O-N 3.2Å
389	T	94.6	Very high	96.8	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.043	20%	0.198	C	C	.	.			trans	-89.6	161.8	177.1	74	0	0	0	0	111.2	L379 Y384 L386 N387 M391	L379-T389 HydrophobicContact CD1-CG2 3.89Å; Y384-T389 HydrophobicContact CD1-CG2 4.09Å; Y384-T389 HydrophobicContact CE1-CG2 3.69Å; L386-T389 HydrophobicContact CD2-CG2 4.5Å; L386-T389 WeakPolarHBondContact O-CB 3.43Å; L386-T389 PolarHBondContact O-N 3.16Å; L386-T389 PolarHBondContact O-OG1 2.8Å; N387-T389 VanDerWaalsContact C-N 3.31Å; T389-M391 HydrophobicContact CG2-SD 4.3Å
390	Q	95.4	Very high	96.8	Very high	119 Å²	119	36.6 Å²	36.6	56%	0.556	20%	0.199	S	C	*	.			trans	-114.2	37.3	167.2	-62.7	-64.2	-57.3	0	0	110.1	K102	K102-Q390 VanDerWaalsContact CE-O 3.24Å; K102-Q390 WeakPolarHBondContact CE-O 3.31Å
391	M	98	Very high	96.5	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.02	21%	0.214	C	C	.	.			trans	-78.8	144.6	179.4	-68.9	178.3	171.1	0	0	110.5	T100 G101 F132 I135 P376 L379 T389 G515 R519	T100-M391 WeakPolarHBondContact O-CG 3.24Å; G101-M391 CarbonylContact O-C 3.57Å; F132-M391 HydrophobicContact CB-CE 3.7Å; I135-M391 HydrophobicContact CD1-CE 4.49Å; P376-M391 HydrophobicContact CB-SD 3.9Å; P376-M391 HydrophobicContact CG-SD 4.25Å; L379-M391 HydrophobicContact CD1-CE 3.58Å; L379-M391 HydrophobicContact CD1-SD 3.93Å; T389-M391 HydrophobicContact CG2-SD 4.3Å; M391-G515 CarbonylContact O-C 3.57Å; M391-G515 WeakPolarHBondContact O-CA 3.2Å; M391-R519 VanDerWaalsContact O-CZ 3.31Å; M391-R519 PolarHBondContact O-NE 2.88Å; M391-R519 PolarHBondContact O-NH2 3.39Å
392	D	98	Very high	96.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-84.5	-31.2	177.1	-57.1	-23.4	0	0	0	111.2	G101 K102 Y103 N106 I372 G515 C518 R519	G101-D392 PolarHBondContact O-N 3.08Å; K102-D392 WeakPolarHBondContact CA-OD2 3.34Å; K102-D392 WeakPolarHBondContact CB-OD2 3.27Å; Y103-D392 HydrophobicContact CD2-CB 3.85Å; Y103-D392 HydrophobicContact CE2-CB 4.18Å; Y103-D392 PolarHBondContact N-OD2 3.21Å; N106-D392 VanDerWaalsContact ND2-CG 3.32Å; N106-D392 PolarHBondContact ND2-OD1 2.9Å; N106-D392 PolarHBondContact ND2-OD2 2.79Å; I372-D392 HydrophobicContact CD1-CB 4.35Å; D392-G515 WeakPolarHBondContact OD1-CA 3.27Å; D392-G515 PolarHBondContact OD1-N 2.81Å; D392-C518 HydrophobicContact CB-CB 3.77Å; D392-C518 VanDerWaalsContact CG-SG 3.51Å; D392-R519 WeakPolarHBondContact O-CG 3.47Å
393	G	97.7	Very high	95.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-69.1	173.1	178.8	0	0	0	0	0	114.8	G101 D373 R519	G101-G393 PolarHBondContact O-N 3.05Å; G101-G393 VanDerWaalsContact O-N 3.09Å; D373-G393 WeakPolarHBondContact OD1-CA 3.45Å; G393-R519 PolarHBondContact O-NE 2.77Å
394	M	96.5	Very high	94.8	Very high	31 Å²	31	48.6 Å²	48.6	15%	0.153	27%	0.268	C	S	.	.			trans	-124.6	145	179.6	-60.7	173.2	70	0	0	109.8	D373 L396 W408 R409 R519	D373-M394 VanDerWaalsContact CB-O 3.26Å; D373-M394 WeakPolarHBondContact CB-O 3.32Å; D373-M394 PolarHBondContact OD1-N 2.89Å; M394-L396 PolarHBondContact O-N 3.3Å; M394-W408 HydrophobicContact CB-CE3 4.43Å; M394-W408 HydrophobicContact CB-CH2 3.43Å; M394-W408 VanDerWaalsContact CB-CH2 3.43Å; M394-W408 HydrophobicContact CB-CZ2 4.25Å; M394-W408 HydrophobicContact CB-CZ3 3.54Å; M394-W408 HydrophobicContact CE-CD2 4.43Å; M394-W408 HydrophobicContact CE-CE3 3.7Å; M394-W408 HydrophobicContact CE-CZ3 3.87Å; M394-W408 HydrophobicContact CG-CZ3 4.48Å; M394-W408 HydrophobicContact SD-CE3 4.23Å; M394-W408 HydrophobicContact SD-CZ3 4.25Å; M394-R409 VanDerWaalsContact CB-NH2 3.33Å; M394-R409 VanDerWaalsContact CG-NH2 3.35Å; M394-R409 VanDerWaalsContact N-NH2 3.18Å; M394-R409 HydrophobicContact SD-CB 4.42Å; M394-R519 HydrophobicContact CG-CB 3.9Å; M394-R519 HydrophobicContact CG-CG 3.72Å; M394-R519 HydrophobicContact SD-CB 4.04Å
395	S	97.7	Very high	93.9	Very high	11 Å²	11	54.6 Å²	54.6	8%	0.077	30%	0.303	C	S	.	.			trans	-67.1	130.9	176.4	174.1	0	0	0	0	111.5	T377 D380 L397 P398 W408	T377-S395 WeakPolarHBondContact OG1-CA 3.22Å; D380-S395 VanDerWaalsContact CB-OG 3.3Å; D380-S395 WeakPolarHBondContact CB-OG 3.47Å; D380-S395 WeakPolarHBondContact OD2-CB 3.39Å; D380-S395 PolarHBondContact OD2-OG 3.36Å; S395-L397 VanDerWaalsContact C-N 3.26Å; S395-L397 VanDerWaalsContact OG-CB 3.27Å; S395-L397 WeakPolarHBondContact OG-CB 3.45Å; S395-L397 PolarHBondContact OG-N 2.95Å; S395-L397 VanDerWaalsContact OG-N 3.1Å; S395-P398 WeakPolarHBondContact O-CD 3.5Å; S395-W408 VanDerWaalsContact O-CZ3 3.29Å; S395-W408 WeakPolarHBondContact O-CZ3 3.42Å
396	L	97.8	Very high	93.4	Very high	1 Å²	1	54 Å²	54	1%	0.005	30%	0.299	C	S	.	.	S	Bend	trans	-77.1	-12.9	172.1	-54	-178	0	0	0	112	F81 L352 V369 D373 T377 M394 P398 I399 L400 W408	F81-L396 HydrophobicContact CZ-CD1 4.31Å; L352-L396 HydrophobicContact CD2-CD1 4.07Å; V369-L396 HydrophobicContact CB-CD2 4Å; V369-L396 HydrophobicContact CG1-CD2 3.44Å; V369-L396 VanDerWaalsContact CG1-CD2 3.44Å; D373-L396 HydrophobicContact CB-CD2 3.97Å; D373-L396 HydrophobicContact CB-CG 4.11Å; T377-L396 HydrophobicContact CG2-CB 3.96Å; T377-L396 WeakPolarHBondContact OG1-CG 3.49Å; T377-L396 PolarHBondContact OG1-N 2.92Å; M394-L396 PolarHBondContact O-N 3.3Å; L396-P398 VanDerWaalsContact C-CD 3.48Å; L396-I399 HydrophobicContact CD2-CD1 4.26Å; L396-I399 WeakPolarHBondContact O-CA 3.34Å; L396-I399 VanDerWaalsContact O-CB 3.3Å; L396-I399 WeakPolarHBondContact O-CB 3.4Å; L396-I399 PolarHBondContact O-N 2.92Å; L396-L400 HydrophobicContact CB-CD1 4.37Å; L396-L400 HydrophobicContact CB-CG 4.35Å; L396-L400 WeakPolarHBondContact O-CG 3.44Å; L396-L400 PolarHBondContact O-N 2.77Å; L396-W408 HydrophobicContact CD2-CH2 3.64Å; L396-W408 HydrophobicContact CD2-CZ2 3.64Å
397	L	97	Very high	92.9	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-55.3	-40	-172.2	-173.2	59.9	0	0	0	114	Y320 D380 I381 S395 I399 L400 R401	Y320-L397 HydrophobicContact CE1-CD1 4.21Å; D380-L397 HydrophobicContact CB-CB 4.43Å; D380-L397 HydrophobicContact CB-CD2 4.07Å; D380-L397 WeakPolarHBondContact OD2-CB 3.33Å; I381-L397 HydrophobicContact CG1-CD1 3.84Å; I381-L397 HydrophobicContact CG1-CD2 4.12Å; I381-L397 HydrophobicContact CG1-CG 4.45Å; S395-L397 VanDerWaalsContact C-N 3.26Å; S395-L397 VanDerWaalsContact OG-CB 3.27Å; S395-L397 WeakPolarHBondContact OG-CB 3.45Å; S395-L397 PolarHBondContact OG-N 2.95Å; S395-L397 VanDerWaalsContact OG-N 3.1Å; L397-I399 VanDerWaalsContact C-N 3.31Å; L397-I399 PolarHBondContact O-N 3.23Å; L397-L400 PolarHBondContact O-N 3.34Å; L397-R401 HydrophobicContact CD1-CG 4.16Å; L397-R401 WeakPolarHBondContact O-CB 3.32Å; L397-R401 WeakPolarHBondContact O-CG 3.49Å; L397-R401 PolarHBondContact O-N 2.67Å
398	P	95.2	Very high	92.6	Very high	44 Å²	44	52 Å²	52	29%	0.286	29%	0.292	S	S	.	.	H	α-helix	trans	-60.2	-37.7	172.7	-24.8	36.2	0	0	0	113.4	S395 L396 G402 A403 L406	S395-P398 WeakPolarHBondContact O-CD 3.5Å; L396-P398 VanDerWaalsContact C-CD 3.48Å; P398-G402 PolarHBondContact O-N 3.24Å; P398-A403 HydrophobicContact CB-CB 4.14Å; P398-A403 VanDerWaalsContact O-CB 3.22Å; P398-A403 WeakPolarHBondContact O-CB 3.46Å; P398-A403 PolarHBondContact O-N 3.36Å; P398-L406 HydrophobicContact CB-CD1 3.94Å; P398-L406 HydrophobicContact CB-CD2 4.24Å; P398-L406 HydrophobicContact CG-CD1 4.43Å
399	I	95.8	Very high	92.4	Very high	16 Å²	16	45.7 Å²	45.7	8%	0.082	26%	0.264	C	S	.	.	H	α-helix	trans	-66.6	-48	176	-56.2	170.9	0	0	0	109.6	M79 F81 M367 L396 L397 R401 G402 L406 W408	M79-I399 HydrophobicContact SD-CG2 4.16Å; F81-I399 HydrophobicContact CE1-CD1 4.45Å; F81-I399 HydrophobicContact CE1-CG2 4.08Å; F81-I399 HydrophobicContact CZ-CG2 4.17Å; M367-I399 HydrophobicContact CB-CD1 4.08Å; M367-I399 HydrophobicContact CG-CD1 4.1Å; M367-I399 HydrophobicContact CG-CG2 4.43Å; L396-I399 HydrophobicContact CD2-CD1 4.26Å; L396-I399 WeakPolarHBondContact O-CA 3.34Å; L396-I399 VanDerWaalsContact O-CB 3.3Å; L396-I399 WeakPolarHBondContact O-CB 3.4Å; L396-I399 PolarHBondContact O-N 2.92Å; L397-I399 VanDerWaalsContact C-N 3.31Å; L397-I399 PolarHBondContact O-N 3.23Å; I399-R401 PolarHBondContact O-N 3.09Å; I399-G402 PolarHBondContact O-N 3.07Å; I399-L406 HydrophobicContact CD1-CD2 4.03Å; I399-L406 HydrophobicContact CG1-CD2 3.3Å; I399-W408 HydrophobicContact CD1-CD2 3.91Å; I399-W408 HydrophobicContact CD1-CE3 3.99Å; I399-W408 HydrophobicContact CD1-CH2 4.02Å; I399-W408 HydrophobicContact CD1-CZ2 3.96Å; I399-W408 HydrophobicContact CD1-CZ3 4.03Å
400	L	96.9	Very high	92.3	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.016	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-33.1	-179.4	-62.6	177	0	0	0	112.3	M79 F81 Y320 F322 V354 I359 T377 L396 L397 G402	M79-L400 HydrophobicContact SD-CD2 4.04Å; F81-L400 HydrophobicContact CE2-CD2 3.82Å; F81-L400 HydrophobicContact CZ-CD2 3.89Å; Y320-L400 HydrophobicContact CE1-CD1 4.44Å; F322-L400 HydrophobicContact CE1-CD1 4.23Å; F322-L400 HydrophobicContact CZ-CD1 4.08Å; V354-L400 HydrophobicContact CB-CD2 3.95Å; V354-L400 HydrophobicContact CG1-CD1 3.94Å; V354-L400 HydrophobicContact CG1-CD2 3.88Å; V354-L400 HydrophobicContact CG2-CD2 4.26Å; I359-L400 HydrophobicContact CD1-CB 4.01Å; I359-L400 HydrophobicContact CD1-CD1 4.28Å; I359-L400 HydrophobicContact CD1-CD2 3.91Å; I359-L400 HydrophobicContact CD1-CG 4.28Å; I359-L400 HydrophobicContact CG1-CB 4.08Å; T377-L400 HydrophobicContact CG2-CD1 4.43Å; L396-L400 HydrophobicContact CB-CD1 4.37Å; L396-L400 HydrophobicContact CB-CG 4.35Å; L396-L400 WeakPolarHBondContact O-CG 3.44Å; L396-L400 PolarHBondContact O-N 2.77Å; L397-L400 PolarHBondContact O-N 3.34Å; L400-G402 VanDerWaalsContact C-N 3.34Å
401	R	93	Very high	92.2	Very high	150 Å²	150	40.2 Å²	40.2	57%	0.566	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	3.7	177.3	-68.3	-178.5	176.5	171.5	2.1	114.3	L397 I399	L397-R401 HydrophobicContact CD1-CG 4.16Å; L397-R401 WeakPolarHBondContact O-CB 3.32Å; L397-R401 WeakPolarHBondContact O-CG 3.49Å; L397-R401 PolarHBondContact O-N 2.67Å; I399-R401 PolarHBondContact O-N 3.09Å
402	G	90.6	Very high	92.1	Very high	63 Å²	63	40 Å²	40	65%	0.649	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.5	33.6	175.2	0	0	0	0	0	114.5	P398 I399 L400 S404	P398-G402 PolarHBondContact O-N 3.24Å; I399-G402 PolarHBondContact O-N 3.07Å; L400-G402 VanDerWaalsContact C-N 3.34Å; G402-S404 PolarHBondContact O-N 2.74Å
403	A	89.8	Confident	92.1	Very high	54 Å²	54	40 Å²	40	45%	0.446	24%	0.238	S	C	.	.			trans	-59.6	121.3	176.1	0	0	0	0	0	111.5	P398	P398-A403 HydrophobicContact CB-CB 4.14Å; P398-A403 VanDerWaalsContact O-CB 3.22Å; P398-A403 WeakPolarHBondContact O-CB 3.46Å; P398-A403 PolarHBondContact O-N 3.36Å
404	S	75.5	Confident	92.2	Very high	101 Å²	101	40.1 Å²	40.1	71%	0.706	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	126.8	168.1	55.2	0	0	0	0	109.1	G402	G402-S404 PolarHBondContact O-N 2.74Å
405	N	80.1	Confident	92.3	Very high	164 Å²	164	39.7 Å²	39.7	88%	0.877	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.2	43	-176.1	-46.9	-31.1	0	0	0	116
406	L	85.6	Confident	92.3	Very high	56 Å²	56	39.5 Å²	39.5	29%	0.293	23%	0.234	S	C	.	.			trans	-83.3	124.6	171	-178	65.7	0	0	0	111.2	P398 I399 W408	P398-L406 HydrophobicContact CB-CD1 3.94Å; P398-L406 HydrophobicContact CB-CD2 4.24Å; P398-L406 HydrophobicContact CG-CD1 4.43Å; I399-L406 HydrophobicContact CD1-CD2 4.03Å; I399-L406 HydrophobicContact CG1-CD2 3.3Å; L406-W408 HydrophobicContact CD2-CB 4.48Å; L406-W408 HydrophobicContact CD2-CD2 4.37Å; L406-W408 HydrophobicContact CD2-CE3 3.71Å; L406-W408 HydrophobicContact CD2-CZ3 4.35Å; L406-W408 HydrophobicContact CG-CB 4.48Å; L406-W408 HydrophobicContact CG-CE3 4.27Å; L406-W408 PolarHBondContact O-N 2.91Å
407	T	85.3	Confident	92.3	Very high	104 Å²	104	44 Å²	44	64%	0.638	26%	0.255	S	S	*	.			trans	-74.5	114.6	162.2	-53.4	0	0	0	0	108.6	P521	T407-P521 HydrophobicContact CG2-CG 4.19Å
408	W	89.9	Confident	92.2	Very high	20 Å²	20	44.2 Å²	44.2	8%	0.076	26%	0.258	C	S	.	.			trans	-124.8	157.8	179.7	-163.2	-106.1	0	0	0	110.5	M367 L368 V369 M394 S395 L396 I399 L406	M367-W408 HydrophobicContact SD-CB 4.41Å; M367-W408 HydrophobicContact SD-CG 4.43Å; L368-W408 PolarHBondContact O-NE1 3.49Å; V369-W408 HydrophobicContact CG1-CZ2 4.11Å; M394-W408 HydrophobicContact CB-CE3 4.43Å; M394-W408 HydrophobicContact CB-CH2 3.43Å; M394-W408 VanDerWaalsContact CB-CH2 3.43Å; M394-W408 HydrophobicContact CB-CZ2 4.25Å; M394-W408 HydrophobicContact CB-CZ3 3.54Å; M394-W408 HydrophobicContact CE-CD2 4.43Å; M394-W408 HydrophobicContact CE-CE3 3.7Å; M394-W408 HydrophobicContact CE-CZ3 3.87Å; M394-W408 HydrophobicContact CG-CZ3 4.48Å; M394-W408 HydrophobicContact SD-CE3 4.23Å; M394-W408 HydrophobicContact SD-CZ3 4.25Å; S395-W408 VanDerWaalsContact O-CZ3 3.29Å; S395-W408 WeakPolarHBondContact O-CZ3 3.42Å; L396-W408 HydrophobicContact CD2-CH2 3.64Å; L396-W408 HydrophobicContact CD2-CZ2 3.64Å; I399-W408 HydrophobicContact CD1-CD2 3.91Å; I399-W408 HydrophobicContact CD1-CE3 3.99Å; I399-W408 HydrophobicContact CD1-CH2 4.02Å; I399-W408 HydrophobicContact CD1-CZ2 3.96Å; I399-W408 HydrophobicContact CD1-CZ3 4.03Å; L406-W408 HydrophobicContact CD2-CB 4.48Å; L406-W408 HydrophobicContact CD2-CD2 4.37Å; L406-W408 HydrophobicContact CD2-CE3 3.71Å; L406-W408 HydrophobicContact CD2-CZ3 4.35Å; L406-W408 HydrophobicContact CG-CB 4.48Å; L406-W408 HydrophobicContact CG-CE3 4.27Å; L406-W408 PolarHBondContact O-N 2.91Å
409	R	90.2	Very high	92.2	Very high	7 Å²	7	43.5 Å²	43.5	3%	0.026	25%	0.25	C	S	.	.			trans	-70.1	151.3	175.8	83.3	-169.6	87.3	178.1	9.2	110.6	D373 M394 D411	D373-R409 IonicContact OD1-CZ 3.98Å; D373-R409 IonicContact OD1-NH1 3.67Å; D373-R409 IonicContact OD1-NH2 3.39Å; D373-R409 PolarHBondContact OD1-NH2 3.4Å; D373-R409 IonicContact OD2-CZ 3.18Å; D373-R409 IonicContact OD2-NH2 3.92Å; D373-R409 PolarHBondContact OD2-NH2 2.78Å; D373-R409 VanDerWaalsContact OD2-NH2 3.09Å; M394-R409 VanDerWaalsContact CB-NH2 3.33Å; M394-R409 VanDerWaalsContact CG-NH2 3.35Å; M394-R409 VanDerWaalsContact N-NH2 3.18Å; M394-R409 HydrophobicContact SD-CB 4.42Å; R409-D411 WeakPolarHBondContact CD-O 3.14Å; R409-D411 WeakPolarHBondContact CG-O 3.32Å
410	S	92	Very high	92	Very high	10 Å²	10	43.4 Å²	43.4	7%	0.07	25%	0.253	C	S	.	.	S	Bend	trans	-107.7	-0.1	168.6	46.9	0	0	0	0	113.1	L368 T457 M458 G522	L368-S410 VanDerWaalsContact CD2-C 3.47Å; L368-S410 VanDerWaalsContact CD2-O 3.27Å; L368-S410 WeakPolarHBondContact CD2-O 3.46Å; S410-T457 CarbonylContact O-C 3.51Å; S410-T457 VanDerWaalsContact O-CA 3.27Å; S410-T457 WeakPolarHBondContact O-CA 3.42Å; S410-M458 WeakPolarHBondContact CA-O 3.45Å; S410-M458 WeakPolarHBondContact CB-O 3.24Å; S410-M458 PolarHBondContact O-N 3Å; S410-G522 WeakPolarHBondContact OG-CA 3.48Å; S410-G522 PolarHBondContact OG-N 2.78Å
411	D	94.5	Very high	91.6	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	141.2	-179	-56.7	-52.6	0	0	0	111.8	R409 V455 R456 T457 R506 L510 G522	R409-D411 WeakPolarHBondContact CD-O 3.14Å; R409-D411 WeakPolarHBondContact CG-O 3.32Å; D411-V455 HydrophobicContact CB-CG1 3.76Å; D411-R456 CarbonylContact C-O 3.58Å; D411-R456 VanDerWaalsContact CA-O 3.3Å; D411-R456 WeakPolarHBondContact CA-O 3.38Å; D411-T457 VanDerWaalsContact OD1-CB 3.27Å; D411-T457 WeakPolarHBondContact OD1-CB 3.14Å; D411-T457 WeakPolarHBondContact OD1-CG2 3.43Å; D411-T457 PolarHBondContact OD1-OG1 3.48Å; D411-R506 HydrophobicContact CB-CG 4.33Å; D411-R506 WeakPolarHBondContact OD2-CG 3.49Å; D411-R506 IonicContact OD2-CZ 2.72Å; D411-R506 IonicContact OD2-NE 3.2Å; D411-R506 PolarHBondContact OD2-NE 2.91Å; D411-R506 IonicContact OD2-NH2 3.1Å; D411-L510 HydrophobicContact CB-CD1 4.1Å; D411-G522 WeakPolarHBondContact OD2-CA 3.46Å
412	V	95.8	Very high	91.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	146.6	166.6	-65.8	0	0	0	0	110.1	Y85 L368 A370 R456	Y85-V412 HydrophobicContact CD2-CG2 4.37Å; Y85-V412 HydrophobicContact CG-CG2 4.36Å; L368-V412 HydrophobicContact CD1-CG2 4.05Å; L368-V412 HydrophobicContact CD2-CB 4.37Å; L368-V412 HydrophobicContact CD2-CG1 3.9Å; L368-V412 HydrophobicContact CD2-CG2 4.07Å; L368-V412 HydrophobicContact CG-CG1 3.81Å; L368-V412 HydrophobicContact CG-CG2 4.14Å; A370-V412 HydrophobicContact CB-CB 4.42Å; A370-V412 HydrophobicContact CB-CG1 4Å; V412-R456 HydrophobicContact CG2-CB 3.77Å; V412-R456 HydrophobicContact CG2-CG 4.34Å; V412-R456 PolarHBondContact N-O 3.43Å; V412-R456 PolarHBondContact O-N 2.03Å
413	L	98	Very high	91.2	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	137.6	176.5	-177.5	70.5	0	0	0	110	Y103 E415 C454 L507 L510 Q511	Y103-L413 HydrophobicContact CD1-CB 4Å; Y103-L413 HydrophobicContact CD1-CD2 4.26Å; Y103-L413 HydrophobicContact CD2-CD2 4.39Å; Y103-L413 HydrophobicContact CE1-CB 3.61Å; Y103-L413 VanDerWaalsContact CE1-O 3.31Å; Y103-L413 WeakPolarHBondContact CE1-O 3.35Å; Y103-L413 HydrophobicContact CE2-CB 4.26Å; Y103-L413 HydrophobicContact CG-CD2 4.13Å; Y103-L413 PolarHBondContact OH-N 3.37Å; L413-E415 HydrophobicContact CD1-CG 4.2Å; L413-E415 VanDerWaalsContact CD2-CD 3.43Å; L413-E415 HydrophobicContact CD2-CG 3.62Å; L413-E415 HydrophobicContact CG-CG 3.66Å; L413-C454 WeakPolarHBondContact CA-O 3.04Å; L413-L507 HydrophobicContact CD1-CD1 3.6Å; L413-L510 HydrophobicContact CB-CB 4.09Å; L413-L510 HydrophobicContact CB-CD1 4.28Å; L413-L510 HydrophobicContact CD1-CB 4.04Å; L413-L510 HydrophobicContact CD2-CB 4.24Å; L413-L510 HydrophobicContact CG-CB 4.36Å; L413-Q511 HydrophobicContact CD1-CG 3.94Å; L413-Q511 HydrophobicContact CD2-CG 4.4Å
414	V	98.6	Very high	90.9	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	129.8	166.4	-173.9	0	0	0	0	107.9	P87 I348 Y452 A453 C454	P87-V414 CarbonylContact O-C 3.52Å; P87-V414 WeakPolarHBondContact O-CA 3.43Å; I348-V414 HydrophobicContact CD1-CG2 4.07Å; I348-V414 HydrophobicContact CG2-CG1 3.81Å; V414-Y452 HydrophobicContact CG1-CE2 4.42Å; V414-A453 CarbonylContact O-C 3.58Å; V414-A453 VanDerWaalsContact O-CA 3.32Å; V414-A453 WeakPolarHBondContact O-CA 2.99Å; V414-C454 HydrophobicContact CB-CB 4.19Å; V414-C454 PolarHBondContact N-O 3.39Å; V414-C454 PolarHBondContact O-N 3.37Å
415	E	98.6	Very high	91	Very high	22 Å²	22	47.8 Å²	47.8	10%	0.103	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	141.7	-179	-53.7	-178.2	105.6	0	0	110.1	P87 S88 P104 H105 L413	P87-E415 PolarHBondContact O-N 3.05Å; S88-E415 WeakPolarHBondContact CA-O 3.48Å; S88-E415 WeakPolarHBondContact CB-O 3.42Å; S88-E415 PolarHBondContact OG-O 2.99Å; P104-E415 HydrophobicContact CB-CB 4.31Å; P104-E415 VanDerWaalsContact CD-OE2 3.32Å; P104-E415 WeakPolarHBondContact CD-OE2 3.39Å; P104-E415 HydrophobicContact CG-CB 4.21Å; H105-E415 IonicContact CE1-OE2 3.35Å; H105-E415 IonicContact CG-OE1 3.64Å; H105-E415 IonicContact CG-OE2 3.74Å; H105-E415 PolarHBondContact N-OE2 3.01Å; H105-E415 VanDerWaalsContact ND1-CD 3.3Å; H105-E415 IonicContact ND1-OE1 3.69Å; H105-E415 PolarHBondContact ND1-OE1 2.72Å; H105-E415 VanDerWaalsContact ND1-OE1 3.1Å; H105-E415 IonicContact ND1-OE2 3.1Å; H105-E415 PolarHBondContact ND1-OE2 3.37Å; L413-E415 HydrophobicContact CD1-CG 4.2Å; L413-E415 VanDerWaalsContact CD2-CD 3.43Å; L413-E415 HydrophobicContact CD2-CG 3.62Å; L413-E415 HydrophobicContact CG-CG 3.66Å
416	Y	98.3	Very high	91.1	Very high	7 Å²	7	45.5 Å²	45.5	3%	0.027	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	137.5	173.6	-175.5	-111.2	0	0	0	110.7	L90 R341 D446 N450 T451 Y452	L90-Y416 HydrophobicContact CB-CD2 4.43Å; L90-Y416 HydrophobicContact CB-CE2 4.1Å; L90-Y416 HydrophobicContact CD2-CE2 3.94Å; R341-Y416 HydrophobicContact CB-CD1 4.29Å; R341-Y416 HydrophobicContact CB-CD2 4.42Å; R341-Y416 HydrophobicContact CB-CE1 3.71Å; R341-Y416 HydrophobicContact CB-CE2 3.87Å; R341-Y416 WeakPolarHBondContact CD-OH 3.15Å; R341-Y416 HydrophobicContact CG-CE1 4.2Å; R341-Y416 HydrophobicContact CG-CE2 3.66Å; R341-Y416 VanDerWaalsContact CG-CZ 3.47Å; R341-Y416 VanDerWaalsContact CG-OH 3.29Å; R341-Y416 WeakPolarHBondContact CG-OH 3.4Å; R341-Y416 PolarHBondContact NE-OH 3.49Å; Y416-D446 WeakPolarHBondContact CE1-OD1 3.4Å; Y416-D446 PolarHBondContact OH-OD1 2.99Å; Y416-D446 PolarHBondContact OH-OD2 2.85Å; Y416-N450 WeakPolarHBondContact CD1-O 3.29Å; Y416-N450 HydrophobicContact CE1-CB 4.49Å; Y416-N450 WeakPolarHBondContact CE1-ND2 3.1Å; Y416-N450 VanDerWaalsContact CE1-O 3.31Å; Y416-N450 WeakPolarHBondContact CE1-O 3.25Å; Y416-T451 WeakPolarHBondContact O-CA 3.32Å; Y416-Y452 HydrophobicContact CD1-CD1 4.09Å; Y416-Y452 AromaticContact CD1-CE1 3.54Å; Y416-Y452 HydrophobicContact CD1-CE1 3.54Å; Y416-Y452 AromaticContact CG-CE1 3.86Å; Y416-Y452 HydrophobicContact CG-CE1 3.86Å; Y416-Y452 AromaticContact CG-CZ 3.98Å; Y416-Y452 PolarHBondContact N-O 3.02Å; Y416-Y452 PolarHBondContact O-N 2.94Å
417	Q	97.1	Very high	90.9	Very high	96 Å²	96	48 Å²	48	45%	0.449	27%	0.265	S	S	.	.			trans	-113.5	115.6	175.6	-176	173.8	-19.8	0	0	108.6	V110	V110-Q417 HydrophobicContact CB-CB 4.3Å; V110-Q417 VanDerWaalsContact CB-OE1 3.22Å
418	G	96	Very high	91	Very high	8 Å²	8	43.2 Å²	43.2	8%	0.082	24%	0.236	C	C	.	.			trans	-66.5	139.7	-173.3	0	0	0	0	0	113.6	A447 N450 T451	G418-A447 CarbonylContact C-O 3.54Å; G418-A447 VanDerWaalsContact C-O 3.31Å; G418-A447 WeakPolarHBondContact CA-O 3.42Å; G418-N450 WeakPolarHBondContact CA-O 3.46Å; G418-N450 PolarHBondContact N-O 3.44Å; G418-T451 PolarHBondContact N-OG1 2.75Å
419	E	94.3	Very high	90.6	Very high	29 Å²	29	47.1 Å²	47.1	14%	0.136	26%	0.264	C	S	.	.			trans	-106.1	130	-179.8	-42.9	174.2	107.2	0	0	110.5	N111 R341 S436 D446 A447	N111-E419 HydrophobicContact CB-CG 4.23Å; N111-E419 VanDerWaalsContact CB-OE1 3.29Å; N111-E419 WeakPolarHBondContact CB-OE1 3.31Å; R341-E419 IonicContact CZ-OE2 3.32Å; R341-E419 IonicContact NE-OE2 2.75Å; R341-E419 PolarHBondContact NE-OE2 3.15Å; R341-E419 IonicContact NH2-OE2 3.19Å; R341-E419 PolarHBondContact NH2-OE2 3.31Å; E419-S436 WeakPolarHBondContact O-CB 3.46Å; E419-S436 PolarHBondContact O-OG 3.23Å; E419-D446 VanDerWaalsContact CA-OD2 3.29Å; E419-D446 WeakPolarHBondContact CA-OD2 3.35Å; E419-D446 WeakPolarHBondContact CB-OD2 3.48Å; E419-D446 WeakPolarHBondContact CG-OD2 3.49Å; E419-D446 PolarHBondContact N-OD1 3.33Å; E419-D446 PolarHBondContact N-OD2 2.73Å; E419-A447 CarbonylContact O-C 3.4Å; E419-A447 WeakPolarHBondContact O-CA 3.34Å; E419-A447 PolarHBondContact O-N 3.34Å
420	G	91.6	Very high	90.4	Very high	14 Å²	14	51.8 Å²	51.8	14%	0.144	30%	0.298	C	S	.	.			trans	-134.4	166.9	177.9	0	0	0	0	0	112.5	G434 Y448	G420-G434 VanDerWaalsContact CA-O 3.22Å; G420-G434 WeakPolarHBondContact CA-O 3.44Å; G420-Y448 WeakPolarHBondContact O-CE1 3.01Å; G420-Y448 PolarHBondContact O-OH 2.96Å
421	R	89.1	Confident	90.2	Very high	135 Å²	135	52.9 Å²	52.9	51%	0.509	30%	0.303	S	S	.	.			trans	-118.9	133.8	171.8	-63.5	-177.3	-177.4	171	3.3	110.7	V423 G434 V435	R421-V423 HydrophobicContact CB-CG2 4.31Å; R421-V423 PolarHBondContact O-N 2.82Å; R421-G434 PolarHBondContact O-N 2.88Å; R421-V435 PolarHBondContact N-O 2.91Å
422	N	88.4	Confident	89.7	Confident	133 Å²	133	57.2 Å²	57.2	71%	0.711	33%	0.333	S	S	*	.	S	Bend	trans	-70.1	1.7	175.3	-72.1	-23	0	0	0	114.3	Y448	N422-Y448 WeakPolarHBondContact OD1-CE2 2.99Å; N422-Y448 PolarHBondContact OD1-OH 2.81Å
423	V	85.9	Confident	89.4	Confident	102 Å²	102	60.7 Å²	60.7	62%	0.618	36%	0.356	S	S	*	.	S	Bend	trans	-119.3	142.6	177.6	-63.5	0	0	0	0	109.2	R421	R421-V423 HydrophobicContact CB-CG2 4.31Å; R421-V423 PolarHBondContact O-N 2.82Å
424	T	83.6	Confident	89.1	Confident	58 Å²	58	61.2 Å²	61.2	36%	0.356	36%	0.361	S	S	.	.			trans	-61.1	138.9	170.6	-60.1	0	0	0	0	109.9	P426 L431	T424-P426 WeakPolarHBondContact O-CD 3.43Å; T424-L431 VanDerWaalsContact CG2-O 3.26Å; T424-L431 WeakPolarHBondContact CG2-O 3.36Å
425	D	79.2	Confident	88.8	Confident	35 Å²	35	62.1 Å²	62.1	19%	0.187	37%	0.366	C	S	.	.			trans	-67.7	118.9	173.5	-167.7	-43	0	0	0	109.3	T427 C428	D425-T427 VanDerWaalsContact CG-OG1 3.32Å; D425-T427 PolarHBondContact O-N 2.97Å; D425-T427 VanDerWaalsContact O-N 3.15Å; D425-T427 WeakPolarHBondContact OD1-CB 3.4Å; D425-T427 PolarHBondContact OD1-N 3.47Å; D425-T427 PolarHBondContact OD1-OG1 2.87Å; D425-C428 HydrophobicContact CB-CB 4.29Å; D425-C428 CarbonylContact O-C 3.31Å; D425-C428 PolarHBondContact O-N 2.59Å
426	P	80.8	Confident	88.6	Confident	117 Å²	117	61.4 Å²	61.4	76%	0.76	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.2	-178.6	26.3	-34.9	0	0	0	113	T424 C428	T424-P426 WeakPolarHBondContact O-CD 3.43Å; P426-C428 VanDerWaalsContact C-N 3.31Å
427	T	82.2	Confident	88.3	Confident	107 Å²	107	64.9 Å²	64.9	66%	0.656	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-17.1	175.6	68.1	0	0	0	0	112.7	D425	D425-T427 VanDerWaalsContact CG-OG1 3.32Å; D425-T427 PolarHBondContact O-N 2.97Å; D425-T427 VanDerWaalsContact O-N 3.15Å; D425-T427 WeakPolarHBondContact OD1-CB 3.4Å; D425-T427 PolarHBondContact OD1-N 3.47Å; D425-T427 PolarHBondContact OD1-OG1 2.87Å
428	C	86.5	Confident	88.1	Confident	4 Å²	4	60.7 Å²	60.7	3%	0.027	36%	0.362	C	S	.	.			trans	-137.9	65.2	-177.2	-67.7	0	0	0	0	111	D425 P426 S430 L431 C442	D425-C428 HydrophobicContact CB-CB 4.29Å; D425-C428 CarbonylContact O-C 3.31Å; D425-C428 PolarHBondContact O-N 2.59Å; P426-C428 VanDerWaalsContact C-N 3.31Å; C428-S430 PolarHBondContact O-N 2.81Å; C428-L431 HydrophobicContact CB-CD1 3.45Å; C428-L431 VanDerWaalsContact CB-CD1 3.45Å; C428-L431 HydrophobicContact CB-CG 3.96Å; C428-L431 WeakPolarHBondContact O-CB 3.47Å; C428-L431 PolarHBondContact O-N 2.87Å; C428-C442 WeakPolarHBondContact CA-SG 3.46Å; C428-C442 HydrophobicContact CB-CB 3.62Å; C428-C442 WeakPolarHBondContact CB-SG 3.32Å; C428-C442 WeakPolarHBondContact SG-CA 3.37Å; C428-C442 WeakPolarHBondContact SG-CB 3.2Å; C428-C442 CovalentContact SG-SG 2.03Å; C428-C442 PolarHBondContact SG-SG 3.26Å
429	P	82.8	Confident	87.9	Confident	102 Å²	102	66 Å²	66	66%	0.662	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.6	-169.9	27.5	-36.6	0	0	0	114.3	L431	P429-L431 PolarHBondContact O-N 3.06Å
430	S	85.8	Confident	87.8	Confident	105 Å²	105	65 Å²	65	73%	0.734	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-12.9	174.9	56.4	0	0	0	0	113.5	C428	C428-S430 PolarHBondContact O-N 2.81Å
431	L	86.5	Confident	87.8	Confident	34 Å²	34	67.3 Å²	67.3	18%	0.178	39%	0.388	C	S	.	.	S	Bend	trans	-86	135.9	-179.6	-61.2	175.1	0	0	0	110.8	T424 C428 P429 V435 C438 C442 C444	T424-L431 VanDerWaalsContact CG2-O 3.26Å; T424-L431 WeakPolarHBondContact CG2-O 3.36Å; C428-L431 HydrophobicContact CB-CD1 3.45Å; C428-L431 VanDerWaalsContact CB-CD1 3.45Å; C428-L431 HydrophobicContact CB-CG 3.96Å; C428-L431 WeakPolarHBondContact O-CB 3.47Å; C428-L431 PolarHBondContact O-N 2.87Å; P429-L431 PolarHBondContact O-N 3.06Å; L431-V435 HydrophobicContact CB-CG2 4.12Å; L431-V435 HydrophobicContact CD1-CG2 4.25Å; L431-C438 HydrophobicContact CD1-CB 3.79Å; L431-C442 HydrophobicContact CD1-CB 4.14Å; L431-C444 WeakPolarHBondContact CD1-SG 3.31Å
432	S	85	Confident	88	Confident	91 Å²	91	62.8 Å²	62.8	64%	0.636	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-65.7	154.1	171.6	-62.2	0	0	0	0	111	V435	S432-V435 WeakPolarHBondContact O-CG2 3.49Å
433	P	89.6	Confident	88.2	Confident	74 Å²	74	56.8 Å²	56.8	48%	0.481	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	158.8	166.3	-23.4	33.9	0	0	0	112
434	G	91.3	Very high	88.6	Confident	11 Å²	11	52.5 Å²	52.5	11%	0.113	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	98	-6.8	176.9	0	0	0	0	0	114.8	G420 R421 A447 Y448	G420-G434 VanDerWaalsContact CA-O 3.22Å; G420-G434 WeakPolarHBondContact CA-O 3.44Å; R421-G434 PolarHBondContact O-N 2.88Å; G434-A447 CarbonylContact O-C 3.5Å; G434-A447 WeakPolarHBondContact O-CA 3.05Å; G434-A447 VanDerWaalsContact O-CB 3.32Å; G434-A447 WeakPolarHBondContact O-CB 3.29Å; G434-Y448 PolarHBondContact O-N 3.14Å
435	V	93.1	Very high	89.1	Confident	20 Å²	20	49.8 Å²	49.8	12%	0.121	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	159.1	171.9	-58.8	0	0	0	0	112	W268 R421 L431 S432 C438 C444 A447	W268-V435 HydrophobicContact CH2-CG1 4.31Å; R421-V435 PolarHBondContact N-O 2.91Å; L431-V435 HydrophobicContact CB-CG2 4.12Å; L431-V435 HydrophobicContact CD1-CG2 4.25Å; S432-V435 WeakPolarHBondContact O-CG2 3.49Å; V435-C438 VanDerWaalsContact CG2-SG 3.51Å; V435-C444 HydrophobicContact CB-CB 4.07Å; V435-C444 HydrophobicContact CG1-CB 4.49Å; V435-C444 VanDerWaalsContact CG2-SG 3.59Å; V435-A447 HydrophobicContact CB-CB 4.49Å; V435-A447 HydrophobicContact CG1-CB 4.22Å
436	S	93.2	Very high	89.9	Confident	8 Å²	8	48.1 Å²	48.1	6%	0.056	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	171.9	172.2	83	0	0	0	0	111.7	E419 C438 D446	E419-S436 WeakPolarHBondContact O-CB 3.46Å; E419-S436 PolarHBondContact O-OG 3.23Å; S436-C438 VanDerWaalsContact C-N 3.34Å; S436-C438 PolarHBondContact O-N 3.14Å; S436-C438 PolarHBondContact O-SG 3.29Å; S436-D446 PolarHBondContact N-O 3.28Å; S436-D446 PolarHBondContact O-N 3.15Å; S436-D446 VanDerWaalsContact O-O 3.12Å
437	Q	92.6	Very high	90.5	Very high	79 Å²	79	42.6 Å²	42.6	37%	0.369	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.8	46.4	-177.9	-50.6	-57.4	-13.9	0	0	113.2	D339 F439 E445 D446	D339-Q437 WeakPolarHBondContact OD2-CG 3.27Å; Q437-F439 PolarHBondContact O-N 3.18Å; Q437-E445 HydrophobicContact CB-CB 3.89Å; Q437-E445 HydrophobicContact CB-CG 4.48Å; Q437-E445 WeakPolarHBondContact O-CG 3.32Å; Q437-E445 PolarHBondContact O-N 2.62Å; Q437-E445 VanDerWaalsContact O-N 3.15Å; Q437-D446 HydrophobicContact CG-CB 4.37Å
438	C	93	Very high	91	Very high	9 Å²	9	42.5 Å²	42.5	6%	0.061	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	70.6	-173	-54.6	0	0	0	0	113.2	L431 V435 S436 V443 C444	L431-C438 HydrophobicContact CD1-CB 3.79Å; V435-C438 VanDerWaalsContact CG2-SG 3.51Å; S436-C438 VanDerWaalsContact C-N 3.34Å; S436-C438 PolarHBondContact O-N 3.14Å; S436-C438 PolarHBondContact O-SG 3.29Å; C438-V443 CarbonylContact C-O 3.59Å; C438-V443 VanDerWaalsContact C-O 3.32Å; C438-V443 VanDerWaalsContact CA-O 3.22Å; C438-V443 WeakPolarHBondContact CA-O 2.86Å; C438-C444 HydrophobicContact CB-CB 4.1Å; C438-C444 WeakPolarHBondContact CB-SG 3.42Å; C438-C444 WeakPolarHBondContact SG-CB 3.41Å; C438-C444 CovalentContact SG-SG 2.05Å; C438-C444 PolarHBondContact SG-SG 3.25Å
439	F	90.6	Very high	91.2	Very high	119 Å²	119	45.1 Å²	45.1	52%	0.522	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.7	145.5	-177.2	174.6	-91.2	0	0	0	112.4	F284 Q437 V443	F284-F439 HydrophobicContact CD1-CE1 4.38Å; F284-F439 HydrophobicContact CD2-CE1 4.45Å; F284-F439 HydrophobicContact CD2-CZ 4.37Å; F284-F439 AromaticContact CE1-CE1 3.77Å; F284-F439 HydrophobicContact CE1-CE1 3.77Å; F284-F439 AromaticContact CE2-CE1 3.82Å; F284-F439 HydrophobicContact CE2-CE1 3.82Å; F284-F439 AromaticContact CE2-CZ 3.96Å; F284-F439 HydrophobicContact CE2-CZ 3.96Å; F284-F439 AromaticContact CZ-CE1 3.47Å; F284-F439 HydrophobicContact CZ-CE1 3.47Å; F284-F439 VanDerWaalsContact CZ-CE1 3.47Å; F284-F439 HydrophobicContact CZ-CZ 4.1Å; Q437-F439 PolarHBondContact O-N 3.18Å; F439-V443 PolarHBondContact N-O 3.02Å
440	P	92.5	Very high	91.8	Very high	8 Å²	8	40.2 Å²	40.2	5%	0.052	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	cis	-74.4	169.3	-11.9	30.7	-38	0	0	0	113.9	S281 F284 P337 C442 V443	S281-P440 WeakPolarHBondContact OG-CG 3.5Å; F284-P440 HydrophobicContact CD1-CG 4.06Å; F284-P440 HydrophobicContact CG-CG 4.49Å; P337-P440 VanDerWaalsContact CB-CD 3.48Å; P337-P440 HydrophobicContact CB-CG 3.81Å; P337-P440 HydrophobicContact CG-CG 3.97Å; P440-C442 PolarHBondContact O-N 2.79Å; P440-C442 VanDerWaalsContact O-N 3.14Å; P440-V443 PolarHBondContact O-N 3.34Å
441	D	92.2	Very high	92.4	Very high	62 Å²	62	36.7 Å²	36.7	33%	0.332	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	33.6	171.6	-64.5	-12.6	0	0	0	115.5	T278 S280 S281 V443	T278-D441 VanDerWaalsContact CB-OD2 3.32Å; T278-D441 WeakPolarHBondContact CB-OD2 3.1Å; T278-D441 WeakPolarHBondContact CG2-OD2 3.43Å; T278-D441 PolarHBondContact OG1-OD2 3.1Å; S280-D441 PolarHBondContact OG-OD2 2.65Å; S281-D441 PolarHBondContact OG-OD2 2.92Å; D441-V443 PolarHBondContact O-N 3.15Å
442	C	92.4	Very high	92.9	Very high	41 Å²	41	35.3 Å²	35.3	28%	0.277	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	26.9	177.9	-54.5	0	0	0	0	114.7	C428 L431 P440	C428-C442 WeakPolarHBondContact CA-SG 3.46Å; C428-C442 HydrophobicContact CB-CB 3.62Å; C428-C442 WeakPolarHBondContact CB-SG 3.32Å; C428-C442 WeakPolarHBondContact SG-CA 3.37Å; C428-C442 WeakPolarHBondContact SG-CB 3.2Å; C428-C442 CovalentContact SG-SG 2.03Å; C428-C442 PolarHBondContact SG-SG 3.26Å; L431-C442 HydrophobicContact CD1-CB 4.14Å; P440-C442 PolarHBondContact O-N 2.79Å; P440-C442 VanDerWaalsContact O-N 3.14Å
443	V	93.8	Very high	93.5	Very high	7 Å²	7	31.2 Å²	31.2	4%	0.042	17%	0.166	C	C	.	.			trans	-85.8	119.8	166.8	-177	0	0	0	0	108.4	A273 K274 L336 P337 C438 F439 P440 D441	A273-V443 HydrophobicContact CB-CG1 4.22Å; K274-V443 HydrophobicContact CB-CG2 3.92Å; L336-V443 HydrophobicContact CD2-CG1 4.17Å; P337-V443 HydrophobicContact CG-CB 4.14Å; P337-V443 HydrophobicContact CG-CG1 4.42Å; P337-V443 HydrophobicContact CG-CG2 4.4Å; C438-V443 CarbonylContact C-O 3.59Å; C438-V443 VanDerWaalsContact C-O 3.32Å; C438-V443 VanDerWaalsContact CA-O 3.22Å; C438-V443 WeakPolarHBondContact CA-O 2.86Å; F439-V443 PolarHBondContact N-O 3.02Å; P440-V443 PolarHBondContact O-N 3.34Å; D441-V443 PolarHBondContact O-N 3.15Å
444	C	94.2	Very high	94	Very high	12 Å²	12	27.7 Å²	27.7	8%	0.081	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	132.4	-179.9	-55.8	0	0	0	0	111.9	L269 L431 V435 C438	L269-C444 HydrophobicContact CD1-CB 4.31Å; L269-C444 WeakPolarHBondContact CD1-O 3.3Å; L431-C444 WeakPolarHBondContact CD1-SG 3.31Å; V435-C444 HydrophobicContact CB-CB 4.07Å; V435-C444 HydrophobicContact CG1-CB 4.49Å; V435-C444 VanDerWaalsContact CG2-SG 3.59Å; C438-C444 HydrophobicContact CB-CB 4.1Å; C438-C444 WeakPolarHBondContact CB-SG 3.42Å; C438-C444 WeakPolarHBondContact SG-CB 3.41Å; C438-C444 CovalentContact SG-SG 2.05Å; C438-C444 PolarHBondContact SG-SG 3.25Å
445	E	94.7	Very high	94.2	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-5.7	-178.8	-54.6	-74.5	-167.2	0	0	111.9	H330 L336 P337 I338 D339 Q342 Q437	H330-E445 IonicContact CE1-OE2 3.02Å; H330-E445 IonicContact NE2-OE1 2.81Å; H330-E445 IonicContact NE2-OE2 3.57Å; H330-E445 PolarHBondContact NE2-OE2 3.29Å; L336-E445 VanDerWaalsContact CB-OE2 3.25Å; L336-E445 WeakPolarHBondContact CB-OE2 3.1Å; L336-E445 WeakPolarHBondContact CD1-OE2 3.45Å; L336-E445 VanDerWaalsContact CD2-OE2 3.3Å; L336-E445 WeakPolarHBondContact CD2-OE2 3.47Å; L336-E445 WeakPolarHBondContact CG-OE2 3.22Å; P337-E445 WeakPolarHBondContact CD-OE1 3.47Å; P337-E445 VanDerWaalsContact N-OE1 3.13Å; I338-E445 PolarHBondContact N-OE1 3.14Å; D339-E445 HydrophobicContact CB-CB 3.6Å; D339-E445 HydrophobicContact CB-CG 3.73Å; Q342-E445 PolarHBondContact NE2-O 2.72Å; Q437-E445 HydrophobicContact CB-CB 3.89Å; Q437-E445 HydrophobicContact CB-CG 4.48Å; Q437-E445 WeakPolarHBondContact O-CG 3.32Å; Q437-E445 PolarHBondContact O-N 2.62Å; Q437-E445 VanDerWaalsContact O-N 3.15Å
446	D	95.5	Very high	94.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	165	179.3	-164.8	20.9	0	0	0	113.8	R341 Y416 E419 S436 Q437 N450	R341-D446 IonicContact NE-OD2 2.8Å; Y416-D446 WeakPolarHBondContact CE1-OD1 3.4Å; Y416-D446 PolarHBondContact OH-OD1 2.99Å; Y416-D446 PolarHBondContact OH-OD2 2.85Å; E419-D446 VanDerWaalsContact CA-OD2 3.29Å; E419-D446 WeakPolarHBondContact CA-OD2 3.35Å; E419-D446 WeakPolarHBondContact CB-OD2 3.48Å; E419-D446 WeakPolarHBondContact CG-OD2 3.49Å; E419-D446 PolarHBondContact N-OD1 3.33Å; E419-D446 PolarHBondContact N-OD2 2.73Å; S436-D446 PolarHBondContact N-O 3.28Å; S436-D446 PolarHBondContact O-N 3.15Å; S436-D446 VanDerWaalsContact O-O 3.12Å; Q437-D446 HydrophobicContact CG-CB 4.37Å; D446-N450 WeakPolarHBondContact OD1-CB 3.23Å; D446-N450 PolarHBondContact OD1-ND2 3Å; D446-N450 VanDerWaalsContact OD1-ND2 3.13Å
447	A	94.1	Very high	94.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172	164.2	178.3	0	0	0	0	0	111.7	W268 L269 G418 E419 G434 V435 N449 N450	W268-A447 HydrophobicContact CH2-CB 3.35Å; W268-A447 HydrophobicContact CZ2-CB 3.26Å; L269-A447 HydrophobicContact CD1-CB 4.48Å; G418-A447 CarbonylContact C-O 3.54Å; G418-A447 VanDerWaalsContact C-O 3.31Å; G418-A447 WeakPolarHBondContact CA-O 3.42Å; E419-A447 CarbonylContact O-C 3.4Å; E419-A447 WeakPolarHBondContact O-CA 3.34Å; E419-A447 PolarHBondContact O-N 3.34Å; G434-A447 CarbonylContact O-C 3.5Å; G434-A447 WeakPolarHBondContact O-CA 3.05Å; G434-A447 VanDerWaalsContact O-CB 3.32Å; G434-A447 WeakPolarHBondContact O-CB 3.29Å; V435-A447 HydrophobicContact CB-CB 4.49Å; V435-A447 HydrophobicContact CG1-CB 4.22Å; A447-N449 VanDerWaalsContact C-N 3.29Å; A447-N449 PolarHBondContact O-N 3.23Å; A447-N450 VanDerWaalsContact O-CB 3.27Å; A447-N450 WeakPolarHBondContact O-CB 3.46Å; A447-N450 PolarHBondContact O-N 3.13Å
448	Y	91.7	Very high	94.5	Very high	105 Å²	105	24.3 Å²	24.3	41%	0.412	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-41.1	-178.2	-71.9	-51.7	0	0	0	114.5	G420 N422 G434 N450 T451	G420-Y448 WeakPolarHBondContact O-CE1 3.01Å; G420-Y448 PolarHBondContact O-OH 2.96Å; N422-Y448 WeakPolarHBondContact OD1-CE2 2.99Å; N422-Y448 PolarHBondContact OD1-OH 2.81Å; G434-Y448 PolarHBondContact O-N 3.14Å; Y448-N450 VanDerWaalsContact C-N 3.3Å; Y448-T451 PolarHBondContact O-OG1 3.04Å
449	N	91.4	Very high	94.2	Very high	59 Å²	59	26.3 Å²	26.3	32%	0.316	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	16.3	178.1	59.5	-31.8	0	0	0	112.9	W268 A447 T451 D471	W268-N449 VanDerWaalsContact CZ2-CG 3.41Å; W268-N449 WeakPolarHBondContact CZ2-OD1 3.22Å; W268-N449 PolarHBondContact NE1-ND2 3.26Å; W268-N449 PolarHBondContact NE1-O 3.28Å; W268-N449 PolarHBondContact NE1-OD1 2.8Å; A447-N449 VanDerWaalsContact C-N 3.29Å; A447-N449 PolarHBondContact O-N 3.23Å; N449-T451 PolarHBondContact O-N 3.49Å; N449-D471 HydrophobicContact CB-CB 4.06Å
450	N	95.2	Very high	93.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.155	C	C	.	.			trans	-85	40.7	159.3	-170.5	33.1	0	0	0	109.9	L269 Y416 G418 D446 A447 Y448	L269-N450 HydrophobicContact CD2-CB 4.19Å; Y416-N450 WeakPolarHBondContact CD1-O 3.29Å; Y416-N450 HydrophobicContact CE1-CB 4.49Å; Y416-N450 WeakPolarHBondContact CE1-ND2 3.1Å; Y416-N450 VanDerWaalsContact CE1-O 3.31Å; Y416-N450 WeakPolarHBondContact CE1-O 3.25Å; G418-N450 WeakPolarHBondContact CA-O 3.46Å; G418-N450 PolarHBondContact N-O 3.44Å; D446-N450 WeakPolarHBondContact OD1-CB 3.23Å; D446-N450 PolarHBondContact OD1-ND2 3Å; D446-N450 VanDerWaalsContact OD1-ND2 3.13Å; A447-N450 VanDerWaalsContact O-CB 3.27Å; A447-N450 WeakPolarHBondContact O-CB 3.46Å; A447-N450 PolarHBondContact O-N 3.13Å; Y448-N450 VanDerWaalsContact C-N 3.3Å
451	T	97	Very high	93.5	Very high	30 Å²	30	32.6 Å²	32.6	18%	0.184	19%	0.19	C	C	.	.			trans	-98.6	123.1	177.6	-65	0	0	0	0	107.7	Y416 G418 Y448 N449 F469 D470	Y416-T451 WeakPolarHBondContact O-CA 3.32Å; G418-T451 PolarHBondContact N-OG1 2.75Å; Y448-T451 PolarHBondContact O-OG1 3.04Å; N449-T451 PolarHBondContact O-N 3.49Å; T451-F469 WeakPolarHBondContact O-CA 3.5Å; T451-D470 HydrophobicContact CG2-CB 3.91Å; T451-D470 PolarHBondContact O-N 3.31Å
452	Y	97.9	Very high	93.5	Very high	6 Å²	6	33.8 Å²	33.8	2%	0.024	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	159.7	-176.7	64.8	-100.7	0	0	0	112.5	R341 Q342 L343 V414 Y416 E468 F469	R341-Y452 VanDerWaalsContact O-CE1 3.27Å; R341-Y452 WeakPolarHBondContact O-CE1 3.1Å; R341-Y452 PolarHBondContact O-OH 3.36Å; Q342-Y452 PolarHBondContact O-OH 3.12Å; L343-Y452 HydrophobicContact CB-CD2 4.1Å; L343-Y452 HydrophobicContact CB-CE1 4.44Å; L343-Y452 HydrophobicContact CB-CE2 3.71Å; L343-Y452 PolarHBondContact N-OH 3.1Å; V414-Y452 HydrophobicContact CG1-CE2 4.42Å; Y416-Y452 HydrophobicContact CD1-CD1 4.09Å; Y416-Y452 AromaticContact CD1-CE1 3.54Å; Y416-Y452 HydrophobicContact CD1-CE1 3.54Å; Y416-Y452 AromaticContact CG-CE1 3.86Å; Y416-Y452 HydrophobicContact CG-CE1 3.86Å; Y416-Y452 AromaticContact CG-CZ 3.98Å; Y416-Y452 PolarHBondContact N-O 3.02Å; Y416-Y452 PolarHBondContact O-N 2.94Å; Y452-E468 VanDerWaalsContact CA-O 3.25Å; Y452-E468 WeakPolarHBondContact CA-O 3.24Å; Y452-E468 WeakPolarHBondContact CB-O 3.49Å; Y452-F469 AromaticContact CD1-CE1 3.84Å; Y452-F469 HydrophobicContact CD1-CE1 3.84Å; Y452-F469 HydrophobicContact CD1-CZ 4.13Å; Y452-F469 HydrophobicContact CG-CE1 4.24Å; Y452-F469 HydrophobicContact CG-CZ 4.32Å
453	A	98.3	Very high	93.6	Very high	5 Å²	5	33.3 Å²	33.3	4%	0.041	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	142.5	166.2	0	0	0	0	0	110.5	V414 C467 E468 L507 Q511	V414-A453 CarbonylContact O-C 3.58Å; V414-A453 VanDerWaalsContact O-CA 3.32Å; V414-A453 WeakPolarHBondContact O-CA 2.99Å; A453-C467 VanDerWaalsContact O-CA 3.3Å; A453-C467 WeakPolarHBondContact O-CA 3.1Å; A453-E468 PolarHBondContact N-O 2.95Å; A453-E468 PolarHBondContact O-N 3.28Å; A453-L507 HydrophobicContact CB-CD1 3.85Å; A453-L507 HydrophobicContact CB-CD2 4.45Å; A453-Q511 HydrophobicContact CB-CG 4.13Å
454	C	98.5	Very high	93.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	143	-175.5	-57.3	0	0	0	0	112.6	L413 V414 Y466 C467	L413-C454 WeakPolarHBondContact CA-O 3.04Å; V414-C454 HydrophobicContact CB-CB 4.19Å; V414-C454 PolarHBondContact N-O 3.39Å; V414-C454 PolarHBondContact O-N 3.37Å; C454-Y466 CarbonylContact C-O 3.55Å; C454-Y466 WeakPolarHBondContact CA-O 3.19Å; C454-Y466 WeakPolarHBondContact CB-O 3.43Å; C454-C467 HydrophobicContact CB-CB 4.04Å; C454-C467 WeakPolarHBondContact CB-SG 3.31Å; C454-C467 WeakPolarHBondContact SG-CB 3.46Å; C454-C467 CovalentContact SG-SG 2.03Å; C454-C467 PolarHBondContact SG-SG 3.39Å
455	V	97.2	Very high	93.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	118.6	161.2	-174.2	0	0	0	0	108.7	D411 Q465 Y466 R506 L507 L510	D411-V455 HydrophobicContact CB-CG1 3.76Å; V455-Q465 WeakPolarHBondContact O-CA 3.49Å; V455-Y466 PolarHBondContact N-O 2.03Å; V455-Y466 PolarHBondContact O-N 3.48Å; V455-R506 HydrophobicContact CG1-CG 3.93Å; V455-R506 HydrophobicContact CG2-CB 4.45Å; V455-R506 HydrophobicContact CG2-CG 4.27Å; V455-L507 HydrophobicContact CG2-CB 3.59Å; V455-L507 HydrophobicContact CG2-CD1 3.67Å; V455-L507 HydrophobicContact CG2-CG 4.21Å; V455-L510 HydrophobicContact CG1-CD1 4.22Å; V455-L510 HydrophobicContact CG2-CD1 4.19Å
456	R	96.9	Very high	94.1	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.015	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	114.4	168	-176.9	66.2	180	91	4.1	109	Y85 E345 L368 D411 V412 N463 L464	Y85-R456 HydrophobicContact CD1-CG 4.25Å; Y85-R456 HydrophobicContact CD2-CG 4.5Å; Y85-R456 HydrophobicContact CE1-CG 3.9Å; Y85-R456 HydrophobicContact CE2-CG 4.17Å; Y85-R456 PolarHBondContact OH-NE 2.93Å; Y85-R456 PolarHBondContact OH-NH2 2.98Å; E345-R456 IonicContact OE1-CZ 3.62Å; E345-R456 IonicContact OE1-NE 3.22Å; E345-R456 PolarHBondContact OE1-NE 2.99Å; E345-R456 IonicContact OE1-NH2 2.98Å; E345-R456 PolarHBondContact OE1-NH2 3.39Å; E345-R456 VanDerWaalsContact OE1-NH2 3.1Å; L368-R456 HydrophobicContact CD1-CG 4.47Å; L368-R456 WeakPolarHBondContact CD2-O 3.47Å; D411-R456 CarbonylContact C-O 3.58Å; D411-R456 VanDerWaalsContact CA-O 3.3Å; D411-R456 WeakPolarHBondContact CA-O 3.38Å; V412-R456 HydrophobicContact CG2-CB 3.77Å; V412-R456 HydrophobicContact CG2-CG 4.34Å; V412-R456 PolarHBondContact N-O 3.43Å; V412-R456 PolarHBondContact O-N 2.03Å; R456-N463 VanDerWaalsContact CZ-OD1 3.22Å; R456-N463 PolarHBondContact NH1-OD1 3.1Å; R456-N463 PolarHBondContact NH2-OD1 3.47Å; R456-L464 PolarHBondContact NH1-O 2.96Å
457	T	95.2	Very high	94.2	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	126	-176.9	-59.6	0	0	0	0	111.3	S410 D411 W462 N463 L464 F524	S410-T457 CarbonylContact O-C 3.51Å; S410-T457 VanDerWaalsContact O-CA 3.27Å; S410-T457 WeakPolarHBondContact O-CA 3.42Å; D411-T457 VanDerWaalsContact OD1-CB 3.27Å; D411-T457 WeakPolarHBondContact OD1-CB 3.14Å; D411-T457 WeakPolarHBondContact OD1-CG2 3.43Å; D411-T457 PolarHBondContact OD1-OG1 3.48Å; T457-W462 HydrophobicContact CG2-CB 4.09Å; T457-N463 CarbonylContact O-C 3.41Å; T457-N463 WeakPolarHBondContact O-CA 3.36Å; T457-L464 PolarHBondContact N-O 3.21Å; T457-L464 PolarHBondContact O-N 3.1Å; T457-F524 HydrophobicContact CG2-CD2 3.69Å; T457-F524 HydrophobicContact CG2-CE2 3.97Å
458	M	91.8	Very high	94.4	Very high	41 Å²	41	34.9 Å²	34.9	20%	0.202	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	123.5	169.6	-66.3	-170.2	70.3	0	0	111.2	S83 Y85 L368 S410 W462	S83-M458 VanDerWaalsContact CB-SD 3.59Å; S83-M458 VanDerWaalsContact OG-CE 3.22Å; S83-M458 WeakPolarHBondContact OG-CE 3.43Å; S83-M458 PolarHBondContact OG-SD 2.81Å; Y85-M458 HydrophobicContact CE2-SD 4.05Å; L368-M458 HydrophobicContact CB-CB 4.23Å; L368-M458 HydrophobicContact CD1-CB 4.24Å; L368-M458 HydrophobicContact CD1-CG 4Å; L368-M458 HydrophobicContact CD1-SD 3.88Å; L368-M458 HydrophobicContact CD2-CB 4.35Å; S410-M458 WeakPolarHBondContact CA-O 3.45Å; S410-M458 WeakPolarHBondContact CB-O 3.24Å; S410-M458 PolarHBondContact O-N 3Å; M458-W462 CarbonylContact C-O 3.56Å; M458-W462 WeakPolarHBondContact CA-O 3.2Å
459	S	86.6	Confident	94.6	Very high	52 Å²	52	30 Å²	30	36%	0.364	17%	0.171	S	C	.	.	S	Bend	trans	-146.2	-177.5	173.4	68.4	0	0	0	0	109.8	L461 W462	S459-L461 PolarHBondContact O-N 3.14Å; S459-L461 PolarHBondContact OG-N 2.87Å; S459-W462 PolarHBondContact N-O 2.95Å; S459-W462 WeakPolarHBondContact OG-CB 3.25Å; S459-W462 PolarHBondContact OG-N 3Å
460	A	84.1	Confident	94.8	Very high	110 Å²	110	33.3 Å²	33.3	91%	0.909	19%	0.189	S	C	*	.	S	Bend	trans	-61.2	-28	175.2	0	0	0	0	0	113.3
461	L	85.7	Confident	94.6	Very high	149 Å²	149	34.2 Å²	34.2	78%	0.78	19%	0.194	S	C	*	.	S	Bend	trans	-106.6	-28.5	-176.1	-63.6	176.2	0	0	0	113.2	S459	S459-L461 PolarHBondContact O-N 3.14Å; S459-L461 PolarHBondContact OG-N 2.87Å
462	W	90.3	Very high	94.3	Very high	86 Å²	86	42.5 Å²	42.5	33%	0.326	23%	0.23	S	C	.	.			trans	-122	131.1	-169.4	-58.1	108.5	0	0	0	111.4	T457 M458 S459 L464 L499 F524	T457-W462 HydrophobicContact CG2-CB 4.09Å; M458-W462 CarbonylContact C-O 3.56Å; M458-W462 WeakPolarHBondContact CA-O 3.2Å; S459-W462 PolarHBondContact N-O 2.95Å; S459-W462 WeakPolarHBondContact OG-CB 3.25Å; S459-W462 PolarHBondContact OG-N 3Å; W462-L464 HydrophobicContact CB-CD1 4.37Å; W462-L464 HydrophobicContact CB-CG 4.3Å; W462-L464 HydrophobicContact CD2-CD1 4.16Å; W462-L464 HydrophobicContact CE3-CD1 3.57Å; W462-L464 HydrophobicContact CE3-CD2 4.39Å; W462-L464 HydrophobicContact CE3-CG 4.03Å; W462-L464 HydrophobicContact CZ3-CD1 4.18Å; W462-L499 HydrophobicContact CE3-CD2 4.45Å; W462-L499 HydrophobicContact CH2-CD1 4.34Å; W462-L499 HydrophobicContact CH2-CD2 3.75Å; W462-L499 HydrophobicContact CZ2-CD1 4.47Å; W462-L499 HydrophobicContact CZ3-CD2 3.65Å; W462-F524 AromaticContact CD1-CG 3.73Å; W462-F524 HydrophobicContact CG-CG 4.4Å; W462-F524 AromaticContact NE1-CD1 3.83Å; W462-F524 AromaticContact NE1-CG 3.97Å
463	N	95.2	Very high	94	Very high	31 Å²	31	47.2 Å²	47.2	17%	0.166	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	74.4	171.3	-173.5	16.9	0	0	0	107.4	R456 T457 L481 T482	R456-N463 VanDerWaalsContact CZ-OD1 3.22Å; R456-N463 PolarHBondContact NH1-OD1 3.1Å; R456-N463 PolarHBondContact NH2-OD1 3.47Å; T457-N463 CarbonylContact O-C 3.41Å; T457-N463 WeakPolarHBondContact O-CA 3.36Å; N463-L481 WeakPolarHBondContact ND2-CB 3.2Å; N463-L481 PolarHBondContact O-N 3.08Å; N463-T482 WeakPolarHBondContact CB-OG1 3.45Å; N463-T482 PolarHBondContact ND2-N 2.98Å; N463-T482 PolarHBondContact ND2-OG1 3.07Å; N463-T482 VanDerWaalsContact ND2-OG1 3.16Å
464	L	96.7	Very high	93.7	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.016	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	155.1	-168.4	-60.5	177.8	0	0	0	110.9	R456 T457 W462 Y479 N480 L499 M503	R456-L464 PolarHBondContact NH1-O 2.96Å; T457-L464 PolarHBondContact N-O 3.21Å; T457-L464 PolarHBondContact O-N 3.1Å; W462-L464 HydrophobicContact CB-CD1 4.37Å; W462-L464 HydrophobicContact CB-CG 4.3Å; W462-L464 HydrophobicContact CD2-CD1 4.16Å; W462-L464 HydrophobicContact CE3-CD1 3.57Å; W462-L464 HydrophobicContact CE3-CD2 4.39Å; W462-L464 HydrophobicContact CE3-CG 4.03Å; W462-L464 HydrophobicContact CZ3-CD1 4.18Å; L464-Y479 CarbonylContact C-O 3.55Å; L464-Y479 VanDerWaalsContact CA-O 3.31Å; L464-Y479 WeakPolarHBondContact CA-O 2.93Å; L464-N480 HydrophobicContact CD2-CB 3.93Å; L464-L499 HydrophobicContact CD1-CD1 4.27Å; L464-L499 HydrophobicContact CD1-CD2 4.22Å; L464-M503 HydrophobicContact CB-CE 3.47Å; L464-M503 VanDerWaalsContact CB-CE 3.47Å; L464-M503 HydrophobicContact CB-SD 4.32Å; L464-M503 HydrophobicContact CD1-CE 3.99Å; L464-M503 HydrophobicContact CD1-SD 3.8Å; L464-M503 HydrophobicContact CG-CE 4.38Å
465	Q	97.9	Very high	93.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	131.3	165.4	-179.5	172.4	-25	0	0	108.3	L343 V455 C467 V478 Y479 L481 Q487	L343-Q465 PolarHBondContact O-NE2 3Å; V455-Q465 WeakPolarHBondContact O-CA 3.49Å; Q465-C467 PolarHBondContact NE2-SG 2.5Å; Q465-C467 VanDerWaalsContact NE2-SG 3.36Å; Q465-V478 CarbonylContact O-C 3.55Å; Q465-V478 VanDerWaalsContact O-CA 3.27Å; Q465-V478 WeakPolarHBondContact O-CA 3.32Å; Q465-Y479 PolarHBondContact N-O 3.5Å; Q465-Y479 PolarHBondContact O-N 3.05Å; Q465-L481 HydrophobicContact CB-CD2 3.82Å; Q465-Q487 VanDerWaalsContact OE1-NE2 3.11Å
466	Y	98	Very high	93.7	Very high	6 Å²	6	54.6 Å²	54.6	2%	0.024	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	128.3	177	171.3	-93.4	0	0	0	108.5	C454 V455 E468 V476 E477 V478 L500 M503 N504 L507	C454-Y466 CarbonylContact C-O 3.55Å; C454-Y466 WeakPolarHBondContact CA-O 3.19Å; C454-Y466 WeakPolarHBondContact CB-O 3.43Å; V455-Y466 PolarHBondContact N-O 2.03Å; V455-Y466 PolarHBondContact O-N 3.48Å; Y466-E468 HydrophobicContact CE1-CG 3.64Å; Y466-E468 WeakPolarHBondContact CE1-OE1 3.01Å; Y466-E468 VanDerWaalsContact OH-CG 3.27Å; Y466-E468 WeakPolarHBondContact OH-CG 3.45Å; Y466-E468 PolarHBondContact OH-OE1 2.94Å; Y466-V476 HydrophobicContact CD2-CG1 4.15Å; Y466-V476 HydrophobicContact CE2-CG1 3.47Å; Y466-V476 VanDerWaalsContact CE2-CG1 3.47Å; Y466-E477 CarbonylContact C-O 3.53Å; Y466-E477 WeakPolarHBondContact CA-O 3.23Å; Y466-V478 HydrophobicContact CD2-CG2 3.54Å; Y466-V478 HydrophobicContact CE2-CG2 4.09Å; Y466-L500 HydrophobicContact CD2-CD1 3.9Å; Y466-L500 HydrophobicContact CE2-CD1 3.5Å; Y466-L500 VanDerWaalsContact CE2-CD1 3.5Å; Y466-L500 HydrophobicContact CE2-CG 4.34Å; Y466-M503 HydrophobicContact CD1-CB 4.1Å; Y466-M503 HydrophobicContact CD2-CB 3.91Å; Y466-M503 HydrophobicContact CG-CB 3.68Å; Y466-M503 HydrophobicContact CG-CE 4.41Å; Y466-N504 HydrophobicContact CE1-CB 4.15Å; Y466-N504 WeakPolarHBondContact OH-CB 3.3Å; Y466-N504 PolarHBondContact OH-ND2 2.89Å; Y466-L507 HydrophobicContact CD1-CB 4.3Å; Y466-L507 HydrophobicContact CD1-CD2 4.11Å; Y466-L507 HydrophobicContact CE1-CB 4.16Å; Y466-L507 HydrophobicContact CE1-CD2 3.76Å
467	C	98.4	Very high	93.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	139.9	-178.7	-60.6	0	0	0	0	111	A453 C454 Q465 V476 E477	A453-C467 VanDerWaalsContact O-CA 3.3Å; A453-C467 WeakPolarHBondContact O-CA 3.1Å; C454-C467 HydrophobicContact CB-CB 4.04Å; C454-C467 WeakPolarHBondContact CB-SG 3.31Å; C454-C467 WeakPolarHBondContact SG-CB 3.46Å; C454-C467 CovalentContact SG-SG 2.03Å; C454-C467 PolarHBondContact SG-SG 3.39Å; Q465-C467 PolarHBondContact NE2-SG 2.5Å; Q465-C467 VanDerWaalsContact NE2-SG 3.36Å; C467-V476 WeakPolarHBondContact O-CA 3.41Å; C467-E477 HydrophobicContact CB-CB 4.4Å; C467-E477 PolarHBondContact N-O 2.77Å; C467-E477 PolarHBondContact O-N 2.83Å
468	E	97.9	Very high	93.9	Very high	44 Å²	44	54.4 Å²	54.4	21%	0.206	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.6	170.5	-67.7	-179	-130.9	0	0	109.6	Y452 A453 Y466 V476 N504 L507	Y452-E468 VanDerWaalsContact CA-O 3.25Å; Y452-E468 WeakPolarHBondContact CA-O 3.24Å; Y452-E468 WeakPolarHBondContact CB-O 3.49Å; A453-E468 PolarHBondContact N-O 2.95Å; A453-E468 PolarHBondContact O-N 3.28Å; Y466-E468 HydrophobicContact CE1-CG 3.64Å; Y466-E468 WeakPolarHBondContact CE1-OE1 3.01Å; Y466-E468 VanDerWaalsContact OH-CG 3.27Å; Y466-E468 WeakPolarHBondContact OH-CG 3.45Å; Y466-E468 PolarHBondContact OH-OE1 2.94Å; E468-V476 HydrophobicContact CG-CG2 4.28Å; E468-N504 PolarHBondContact OE1-ND2 3.21Å; E468-L507 HydrophobicContact CB-CD2 3.91Å; E468-L507 HydrophobicContact CG-CD2 3.8Å; E468-L507 WeakPolarHBondContact OE1-CD2 3.32Å
469	F	97.3	Very high	94.2	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.018	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	135.8	173.9	-76.8	-99.9	0	0	0	110.7	H267 L343 T451 Y452 D471 F475 E477	H267-F469 HydrophobicContact CB-CD1 3.97Å; H267-F469 HydrophobicContact CB-CD2 3.89Å; H267-F469 HydrophobicContact CB-CE1 3.6Å; H267-F469 HydrophobicContact CB-CE2 3.51Å; H267-F469 HydrophobicContact CB-CG 4.11Å; H267-F469 HydrophobicContact CB-CZ 3.35Å; H267-F469 AromaticContact CD2-CE1 3.32Å; H267-F469 WeakPolarHBondContact CD2-CE1 3.27Å; H267-F469 AromaticContact CD2-CZ 3.5Å; H267-F469 AromaticContact CE1-CZ 3.64Å; H267-F469 AromaticContact CG-CE1 3.38Å; H267-F469 AromaticContact CG-CE2 3.77Å; H267-F469 AromaticContact CG-CZ 3.11Å; H267-F469 AromaticContact ND1-CE1 3.92Å; H267-F469 AromaticContact ND1-CE2 3.89Å; H267-F469 AromaticContact ND1-CZ 3.24Å; H267-F469 WeakPolarHBondContact ND1-CZ 3.49Å; H267-F469 AromaticContact NE2-CE1 3.85Å; H267-F469 AromaticContact NE2-CZ 3.85Å; L343-F469 HydrophobicContact CD2-CE2 3.66Å; L343-F469 HydrophobicContact CD2-CZ 3.38Å; T451-F469 WeakPolarHBondContact O-CA 3.5Å; Y452-F469 AromaticContact CD1-CE1 3.84Å; Y452-F469 HydrophobicContact CD1-CE1 3.84Å; Y452-F469 HydrophobicContact CD1-CZ 4.13Å; Y452-F469 HydrophobicContact CG-CE1 4.24Å; Y452-F469 HydrophobicContact CG-CZ 4.32Å; F469-D471 HydrophobicContact CB-CB 4.4Å; F469-D471 PolarHBondContact O-N 3.29Å; F469-D471 VanDerWaalsContact O-N 3.1Å; F469-F475 HydrophobicContact CB-CB 4.21Å; F469-F475 HydrophobicContact CD2-CB 4.36Å; F469-F475 HydrophobicContact CD2-CD1 4.41Å; F469-F475 WeakPolarHBondContact CD2-O 3.27Å; F469-F475 PolarHBondContact N-O 2.88Å; F469-E477 HydrophobicContact CE2-CG 4.39Å
470	D	94.3	Very high	94.7	Very high	128 Å²	128	52.6 Å²	52.6	68%	0.684	28%	0.28	S	S	*	.			trans	-83.6	73	165.8	-171.1	16.5	0	0	0	108.7	T451	T451-D470 HydrophobicContact CG2-CB 3.91Å; T451-D470 PolarHBondContact O-N 3.31Å
471	D	91.5	Very high	95.3	Very high	19 Å²	19	47.9 Å²	47.9	10%	0.102	24%	0.239	C	C	.	.	S	Bend	trans	-132.8	179.4	176.2	73	12.6	0	0	0	111.1	N449 F469 E473 V474 F475	N449-D471 HydrophobicContact CB-CB 4.06Å; F469-D471 HydrophobicContact CB-CB 4.4Å; F469-D471 PolarHBondContact O-N 3.29Å; F469-D471 VanDerWaalsContact O-N 3.1Å; D471-E473 PolarHBondContact O-N 3.01Å; D471-E473 WeakPolarHBondContact OD1-CA 3.34Å; D471-E473 WeakPolarHBondContact OD1-CB 3.48Å; D471-E473 PolarHBondContact OD1-N 3.24Å; D471-V474 PolarHBondContact O-N 3.25Å; D471-V474 PolarHBondContact OD1-N 3.05Å; D471-F475 PolarHBondContact OD1-N 3.15Å; D471-F475 VanDerWaalsContact OD1-N 3.14Å
472	Q	90.6	Very high	95.8	Very high	204 Å²	204	45.8 Å²	45.8	95%	0.953	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-19.4	-179.3	-64.6	-178.7	2.2	0	0	113.4
473	E	92.1	Very high	96.1	Very high	105 Å²	105	45.7 Å²	45.7	49%	0.491	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-15	178.3	-65.9	-176.5	-153.5	0	0	111.7	R271 D471 F475	R271-E473 IonicContact CZ-OE1 3.53Å; R271-E473 IonicContact CZ-OE2 3.6Å; R271-E473 IonicContact NH1-OE1 3.36Å; R271-E473 IonicContact NH1-OE2 2.58Å; R271-E473 PolarHBondContact NH1-OE2 3.01Å; R271-E473 IonicContact NH2-OE1 2.82Å; R271-E473 PolarHBondContact NH2-OE1 2.88Å; R271-E473 IonicContact NH2-OE2 3.45Å; R271-E473 PolarHBondContact NH2-OE2 3.11Å; D471-E473 PolarHBondContact O-N 3.01Å; D471-E473 WeakPolarHBondContact OD1-CA 3.34Å; D471-E473 WeakPolarHBondContact OD1-CB 3.48Å; D471-E473 PolarHBondContact OD1-N 3.24Å; E473-F475 HydrophobicContact CB-CB 4.19Å; E473-F475 PolarHBondContact O-N 3.21Å; E473-F475 WeakPolarHBondContact OE2-CD2 3.42Å
474	V	92.4	Very high	96.2	Very high	89 Å²	89	45.4 Å²	45.4	54%	0.539	25%	0.249	S	C	.	.			trans	47.1	49.2	-165	-166.5	0	0	0	0	108.8	D471 V476	D471-V474 PolarHBondContact O-N 3.25Å; D471-V474 PolarHBondContact OD1-N 3.05Å; V474-V476 PolarHBondContact O-N 2.96Å
475	F	96.4	Very high	96.2	Very high	34 Å²	34	49 Å²	49	15%	0.149	27%	0.272	C	S	.	.			trans	-64.4	136.2	-166.4	-164.6	-95.6	0	0	0	110.8	N265 K266 H267 F469 D471 E473 E477	N265-F475 WeakPolarHBondContact O-CZ 3.43Å; K266-F475 VanDerWaalsContact C-CZ 3.49Å; K266-F475 WeakPolarHBondContact O-CZ 3.41Å; H267-F475 HydrophobicContact CB-CD1 3.91Å; H267-F475 HydrophobicContact CB-CE1 4.42Å; H267-F475 VanDerWaalsContact N-CE1 3.28Å; F469-F475 HydrophobicContact CB-CB 4.21Å; F469-F475 HydrophobicContact CD2-CB 4.36Å; F469-F475 HydrophobicContact CD2-CD1 4.41Å; F469-F475 WeakPolarHBondContact CD2-O 3.27Å; F469-F475 PolarHBondContact N-O 2.88Å; D471-F475 PolarHBondContact OD1-N 3.15Å; D471-F475 VanDerWaalsContact OD1-N 3.14Å; E473-F475 HydrophobicContact CB-CB 4.19Å; E473-F475 PolarHBondContact O-N 3.21Å; E473-F475 WeakPolarHBondContact OE2-CD2 3.42Å; F475-E477 HydrophobicContact CD1-CG 3.91Å; F475-E477 HydrophobicContact CE1-CG 3.57Å
476	V	97.6	Very high	96.2	Very high	37 Å²	37	50.2 Å²	50.2	22%	0.224	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.8	-179.5	-177.4	0	0	0	0	109.9	Y466 C467 E468 V474 V478 N490 A492 L500	Y466-V476 HydrophobicContact CD2-CG1 4.15Å; Y466-V476 HydrophobicContact CE2-CG1 3.47Å; Y466-V476 VanDerWaalsContact CE2-CG1 3.47Å; C467-V476 WeakPolarHBondContact O-CA 3.41Å; E468-V476 HydrophobicContact CG-CG2 4.28Å; V474-V476 PolarHBondContact O-N 2.96Å; V476-V478 HydrophobicContact CG1-CG2 3.87Å; V476-N490 PolarHBondContact O-ND2 3.19Å; V476-A492 HydrophobicContact CB-CB 4.31Å; V476-A492 HydrophobicContact CG1-CB 4.07Å; V476-L500 HydrophobicContact CG1-CD1 4.49Å
477	E	98.1	Very high	96.2	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.5	169.2	-70.7	-168.7	-157.5	0	0	110.8	K266 H267 Y344 Y466 C467 F469 F475 Y479 N490	K266-E477 WeakPolarHBondContact CA-OE1 3.4Å; K266-E477 WeakPolarHBondContact CB-OE1 3.42Å; H267-E477 IonicContact CG-OE1 3.09Å; H267-E477 PolarHBondContact N-OE1 3.38Å; H267-E477 IonicContact ND1-OE1 3.55Å; H267-E477 PolarHBondContact ND1-OE1 3.49Å; Y344-E477 WeakPolarHBondContact CE1-OE2 3.38Å; Y344-E477 PolarHBondContact OH-OE1 2.8Å; Y344-E477 PolarHBondContact OH-OE2 2.82Å; Y466-E477 CarbonylContact C-O 3.53Å; Y466-E477 WeakPolarHBondContact CA-O 3.23Å; C467-E477 HydrophobicContact CB-CB 4.4Å; C467-E477 PolarHBondContact N-O 2.77Å; C467-E477 PolarHBondContact O-N 2.83Å; F469-E477 HydrophobicContact CE2-CG 4.39Å; F475-E477 HydrophobicContact CD1-CG 3.91Å; F475-E477 HydrophobicContact CE1-CG 3.57Å; E477-Y479 HydrophobicContact CB-CE2 3.79Å; E477-Y479 HydrophobicContact CG-CE2 4.46Å; E477-Y479 WeakPolarHBondContact OE2-CE2 3.35Å; E477-Y479 VanDerWaalsContact OE2-CZ 3.23Å; E477-Y479 PolarHBondContact OE2-OH 3.16Å; E477-N490 WeakPolarHBondContact CA-OD1 3.49Å
478	V	98.2	Very high	96.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	134.4	174.4	-168.4	0	0	0	0	110.1	Q465 Y466 V476 N490 I491 A492 I495 L500 M503	Q465-V478 CarbonylContact O-C 3.55Å; Q465-V478 VanDerWaalsContact O-CA 3.27Å; Q465-V478 WeakPolarHBondContact O-CA 3.32Å; Y466-V478 HydrophobicContact CD2-CG2 3.54Å; Y466-V478 HydrophobicContact CE2-CG2 4.09Å; V476-V478 HydrophobicContact CG1-CG2 3.87Å; V478-N490 PolarHBondContact N-OD1 2.9Å; V478-N490 WeakPolarHBondContact O-CA 3.37Å; V478-I491 HydrophobicContact CB-CG1 3.95Å; V478-I491 HydrophobicContact CG1-CD1 4.24Å; V478-I491 HydrophobicContact CG1-CG1 3.91Å; V478-I491 VanDerWaalsContact O-CG1 3.27Å; V478-I491 WeakPolarHBondContact O-CG1 2.91Å; V478-I491 PolarHBondContact O-N 3.3Å; V478-A492 HydrophobicContact CB-CB 4.38Å; V478-A492 HydrophobicContact CG2-CB 3.86Å; V478-I495 HydrophobicContact CG1-CD1 3.72Å; V478-L500 HydrophobicContact CG2-CD1 3.79Å; V478-M503 HydrophobicContact CG1-SD 4.4Å
479	Y	98.2	Very high	96	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	139	-179.8	-60.6	-73.7	0	0	0	111.8	K266 L343 Y344 L464 Q465 E477 L481 Q487 T489 N490	K266-Y479 PolarHBondContact NZ-OH 3.46Å; L343-Y479 HydrophobicContact CD1-CE2 3.98Å; Y344-Y479 HydrophobicContact CD1-CE2 4.36Å; Y344-Y479 AromaticContact CE1-CE2 3.86Å; Y344-Y479 HydrophobicContact CE1-CE2 3.86Å; Y344-Y479 AromaticContact CE1-CZ 3.89Å; L464-Y479 CarbonylContact C-O 3.55Å; L464-Y479 VanDerWaalsContact CA-O 3.31Å; L464-Y479 WeakPolarHBondContact CA-O 2.93Å; Q465-Y479 PolarHBondContact N-O 3.5Å; Q465-Y479 PolarHBondContact O-N 3.05Å; E477-Y479 HydrophobicContact CB-CE2 3.79Å; E477-Y479 HydrophobicContact CG-CE2 4.46Å; E477-Y479 WeakPolarHBondContact OE2-CE2 3.35Å; E477-Y479 VanDerWaalsContact OE2-CZ 3.23Å; E477-Y479 PolarHBondContact OE2-OH 3.16Å; Y479-L481 WeakPolarHBondContact O-CD2 3.37Å; Y479-Q487 HydrophobicContact CD1-CB 3.72Å; Y479-Q487 HydrophobicContact CD1-CG 4.22Å; Y479-Q487 HydrophobicContact CD2-CB 4.19Å; Y479-Q487 HydrophobicContact CD2-CG 4.23Å; Y479-Q487 HydrophobicContact CE1-CB 3.85Å; Y479-Q487 WeakPolarHBondContact CE1-O 3.1Å; Y479-Q487 HydrophobicContact CE2-CB 4.29Å; Y479-Q487 HydrophobicContact CG-CB 3.9Å; Y479-Q487 HydrophobicContact CG-CG 3.94Å; Y479-T489 WeakPolarHBondContact CD1-O 3.33Å; Y479-N490 HydrophobicContact CE1-CB 4.35Å
480	N	97.5	Very high	96.1	Very high	55 Å²	55	55 Å²	55	29%	0.294	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	100.3	164.5	179.9	-19.2	0	0	0	108.9	L464 T482 A483 D484 I491	L464-N480 HydrophobicContact CD2-CB 3.93Å; N480-T482 PolarHBondContact O-N 3.29Å; N480-T482 WeakPolarHBondContact OD1-CB 3.26Å; N480-T482 PolarHBondContact OD1-N 3.31Å; N480-T482 VanDerWaalsContact OD1-N 3.1Å; N480-A483 HydrophobicContact CB-CB 4.46Å; N480-A483 PolarHBondContact O-N 2.81Å; N480-A483 VanDerWaalsContact O-N 3.12Å; N480-A483 PolarHBondContact OD1-N 3.44Å; N480-D484 PolarHBondContact O-N 3.21Å; N480-I491 HydrophobicContact CB-CD1 4.2Å
481	L	97.1	Very high	96.2	Very high	11 Å²	11	50.7 Å²	50.7	6%	0.058	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-14	-171.9	-77.9	-70.4	0	0	0	112.6	E345 N463 Q465 Y479 P485 Q487	E345-L481 HydrophobicContact CG-CD1 3.7Å; N463-L481 WeakPolarHBondContact ND2-CB 3.2Å; N463-L481 PolarHBondContact O-N 3.08Å; Q465-L481 HydrophobicContact CB-CD2 3.82Å; Y479-L481 WeakPolarHBondContact O-CD2 3.37Å; L481-P485 WeakPolarHBondContact O-CA 3.49Å; L481-Q487 HydrophobicContact CD1-CG 3.46Å; L481-Q487 VanDerWaalsContact CD1-CG 3.46Å; L481-Q487 HydrophobicContact CD2-CG 4.42Å
482	T	96.1	Very high	96.5	Very high	106 Å²	106	50.7 Å²	50.7	65%	0.65	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-40.6	171.2	-62.9	0	0	0	0	111.1	N463 N480	N463-T482 WeakPolarHBondContact CB-OG1 3.45Å; N463-T482 PolarHBondContact ND2-N 2.98Å; N463-T482 PolarHBondContact ND2-OG1 3.07Å; N463-T482 VanDerWaalsContact ND2-OG1 3.16Å; N480-T482 PolarHBondContact O-N 3.29Å; N480-T482 WeakPolarHBondContact OD1-CB 3.26Å; N480-T482 PolarHBondContact OD1-N 3.31Å; N480-T482 VanDerWaalsContact OD1-N 3.1Å
483	A	96.9	Very high	96.7	Very high	83 Å²	83	50.9 Å²	50.9	69%	0.686	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-31.2	180	0	0	0	0	0	112.7	N480	N480-A483 HydrophobicContact CB-CB 4.46Å; N480-A483 PolarHBondContact O-N 2.81Å; N480-A483 VanDerWaalsContact O-N 3.12Å; N480-A483 PolarHBondContact OD1-N 3.44Å
484	D	97.2	Very high	96.9	Very high	25 Å²	25	51.4 Å²	51.4	13%	0.134	30%	0.296	C	S	.	.			trans	-137.2	72.9	-173.5	-177	21	0	0	0	110.7	N480 D486 Q487 I488 T489	N480-D484 PolarHBondContact O-N 3.21Å; D484-D486 PolarHBondContact O-N 3.15Å; D484-Q487 PolarHBondContact O-N 3.15Å; D484-Q487 VanDerWaalsContact O-N 3.09Å; D484-Q487 PolarHBondContact OD1-N 3.1Å; D484-Q487 WeakPolarHBondContact OD2-CA 2.95Å; D484-I488 VanDerWaalsContact CG-N 3.27Å; D484-I488 PolarHBondContact OD1-N 3.24Å; D484-I488 PolarHBondContact OD2-N 3.12Å; D484-T489 PolarHBondContact OD2-N 3.38Å
485	P	96.6	Very high	97	Very high	78 Å²	78	48.1 Å²	48.1	51%	0.506	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.6	-178.6	27	-35.8	0	0	0	113.3	L481 Q487	L481-P485 WeakPolarHBondContact O-CA 3.49Å; P485-Q487 VanDerWaalsContact C-N 3.31Å
486	D	97.1	Very high	96.9	Very high	27 Å²	27	50.9 Å²	50.9	14%	0.144	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	1.4	176.8	-67.2	-48.7	0	0	0	112.3	K257 N258 F334 D484 I488	K257-D486 HydrophobicContact CB-CB 4.36Å; K257-D486 WeakPolarHBondContact CB-OD2 3.4Å; N258-D486 HydrophobicContact CB-CB 4.14Å; N258-D486 WeakPolarHBondContact CB-O 3.37Å; N258-D486 PolarHBondContact ND2-O 3.47Å; F334-D486 WeakPolarHBondContact CZ-O 3.4Å; D484-D486 PolarHBondContact O-N 3.15Å; D486-I488 VanDerWaalsContact C-N 3.35Å; D486-I488 HydrophobicContact CB-CD1 4.18Å; D486-I488 HydrophobicContact CB-CG1 4.05Å; D486-I488 PolarHBondContact O-N 3.16Å
487	Q	97.8	Very high	96.8	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.009	31%	0.314	C	S	.	.			trans	53.1	45.4	176.1	-60.6	176.5	-100.3	0	0	113.3	K266 F334 Y344 E345 Q465 Y479 L481 D484 P485	K266-Q487 PolarHBondContact NZ-O 3.47Å; F334-Q487 VanDerWaalsContact CZ-O 3.32Å; F334-Q487 WeakPolarHBondContact CZ-O 2.95Å; Y344-Q487 HydrophobicContact CD1-CB 3.97Å; Y344-Q487 HydrophobicContact CE1-CB 4.48Å; E345-Q487 VanDerWaalsContact CG-OE1 3.28Å; Q465-Q487 VanDerWaalsContact OE1-NE2 3.11Å; Y479-Q487 HydrophobicContact CD1-CB 3.72Å; Y479-Q487 HydrophobicContact CD1-CG 4.22Å; Y479-Q487 HydrophobicContact CD2-CB 4.19Å; Y479-Q487 HydrophobicContact CD2-CG 4.23Å; Y479-Q487 HydrophobicContact CE1-CB 3.85Å; Y479-Q487 WeakPolarHBondContact CE1-O 3.1Å; Y479-Q487 HydrophobicContact CE2-CB 4.29Å; Y479-Q487 HydrophobicContact CG-CB 3.9Å; Y479-Q487 HydrophobicContact CG-CG 3.94Å; L481-Q487 HydrophobicContact CD1-CG 3.46Å; L481-Q487 VanDerWaalsContact CD1-CG 3.46Å; L481-Q487 HydrophobicContact CD2-CG 4.42Å; D484-Q487 PolarHBondContact O-N 3.15Å; D484-Q487 VanDerWaalsContact O-N 3.09Å; D484-Q487 PolarHBondContact OD1-N 3.1Å; D484-Q487 WeakPolarHBondContact OD2-CA 2.95Å; P485-Q487 VanDerWaalsContact C-N 3.31Å
488	I	97.3	Very high	96.5	Very high	46 Å²	46	60 Å²	60	24%	0.236	34%	0.341	C	S	.	.			trans	-78.7	-43.1	-178.5	-62	177.7	0	0	0	111.8	K257 N258 I261 N265 D484 D486	K257-I488 HydrophobicContact CB-CD1 3.46Å; K257-I488 VanDerWaalsContact CB-CD1 3.46Å; K257-I488 HydrophobicContact CD-CD1 4.33Å; N258-I488 HydrophobicContact CB-CG1 4.27Å; I261-I488 HydrophobicContact CD1-CD1 4.43Å; I261-I488 HydrophobicContact CD1-CG1 4.24Å; I261-I488 HydrophobicContact CD1-CG2 4.17Å; N265-I488 PolarHBondContact ND2-O 2.98Å; N265-I488 PolarHBondContact OD1-O 3.4Å; D484-I488 VanDerWaalsContact CG-N 3.27Å; D484-I488 PolarHBondContact OD1-N 3.24Å; D484-I488 PolarHBondContact OD2-N 3.12Å; D486-I488 VanDerWaalsContact C-N 3.35Å; D486-I488 HydrophobicContact CB-CD1 4.18Å; D486-I488 HydrophobicContact CB-CG1 4.05Å; D486-I488 PolarHBondContact O-N 3.16Å
489	T	96.7	Very high	96.1	Very high	79 Å²	79	60.8 Å²	60.8	49%	0.485	35%	0.345	S	S	.	.			trans	-104.9	104.6	-169.6	-54.6	0	0	0	0	110.3	Y479 D484 I491	Y479-T489 WeakPolarHBondContact CD1-O 3.33Å; D484-T489 PolarHBondContact OD2-N 3.38Å; T489-I491 HydrophobicContact CG2-CG2 4.25Å; T489-I491 PolarHBondContact O-N 2.72Å
490	N	97.8	Very high	95.9	Very high	27 Å²	27	63 Å²	63	14%	0.144	36%	0.357	C	S	.	.			trans	-67.4	111.6	169.1	179.4	4.7	0	0	0	110	N265 V476 E477 V478 Y479 A492	N265-N490 PolarHBondContact ND2-N 3.25Å; N265-N490 VanDerWaalsContact ND2-N 3.15Å; N265-N490 WeakPolarHBondContact O-CB 3.32Å; N265-N490 PolarHBondContact O-ND2 3.49Å; V476-N490 PolarHBondContact O-ND2 3.19Å; E477-N490 WeakPolarHBondContact CA-OD1 3.49Å; V478-N490 PolarHBondContact N-OD1 2.9Å; V478-N490 WeakPolarHBondContact O-CA 3.37Å; Y479-N490 HydrophobicContact CE1-CB 4.35Å; N490-A492 WeakPolarHBondContact OD1-CB 3.41Å; N490-A492 PolarHBondContact OD1-N 3.03Å
491	I	97.4	Very high	95.6	Very high	38 Å²	38	62.3 Å²	62.3	20%	0.195	36%	0.362	C	S	.	.			trans	-92	8.5	-177.4	63.2	166.7	0	0	0	113.7	V478 N480 T489 K493 T494 I495	V478-I491 HydrophobicContact CB-CG1 3.95Å; V478-I491 HydrophobicContact CG1-CD1 4.24Å; V478-I491 HydrophobicContact CG1-CG1 3.91Å; V478-I491 VanDerWaalsContact O-CG1 3.27Å; V478-I491 WeakPolarHBondContact O-CG1 2.91Å; V478-I491 PolarHBondContact O-N 3.3Å; N480-I491 HydrophobicContact CB-CD1 4.2Å; T489-I491 HydrophobicContact CG2-CG2 4.25Å; T489-I491 PolarHBondContact O-N 2.72Å; I491-K493 PolarHBondContact O-N 3.01Å; I491-T494 PolarHBondContact O-N 2.85Å; I491-T494 PolarHBondContact O-OG1 3.11Å; I491-I495 HydrophobicContact CD1-CB 4.37Å; I491-I495 HydrophobicContact CD1-CD1 4.06Å; I491-I495 HydrophobicContact CD1-CG1 4.43Å; I491-I495 HydrophobicContact CG1-CB 4.48Å; I491-I495 WeakPolarHBondContact O-CB 3.34Å; I491-I495 WeakPolarHBondContact O-CG2 3.44Å; I491-I495 PolarHBondContact O-N 3.2Å
492	A	97	Very high	95.3	Very high	18 Å²	18	65.7 Å²	65.7	15%	0.149	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-34.1	-176.8	0	0	0	0	0	113.9	V476 V478 N490	V476-A492 HydrophobicContact CB-CB 4.31Å; V476-A492 HydrophobicContact CG1-CB 4.07Å; V478-A492 HydrophobicContact CB-CB 4.38Å; V478-A492 HydrophobicContact CG2-CB 3.86Å; N490-A492 WeakPolarHBondContact OD1-CB 3.41Å; N490-A492 PolarHBondContact OD1-N 3.03Å
493	K	95.3	Very high	95.2	Very high	208 Å²	208	60.7 Å²	60.7	90%	0.904	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-15.5	-179.7	-64.4	-175.8	179.9	179.7	0	114.4	I491	I491-K493 PolarHBondContact O-N 3.01Å
494	T	96.2	Very high	95	Very high	116 Å²	116	59.2 Å²	59.2	71%	0.712	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	-12.6	-172	55.9	0	0	0	0	113.5	I491	I491-T494 PolarHBondContact O-N 2.85Å; I491-T494 PolarHBondContact O-OG1 3.11Å
495	I	95.1	Very high	94.8	Very high	21 Å²	21	60 Å²	60	11%	0.108	33%	0.328	C	S	.	.	S	Bend	trans	-68.9	150.6	175.5	-166	168.8	0	0	0	110.4	V478 I491 P497 L499 L500	V478-I495 HydrophobicContact CG1-CD1 3.72Å; I491-I495 HydrophobicContact CD1-CB 4.37Å; I491-I495 HydrophobicContact CD1-CD1 4.06Å; I491-I495 HydrophobicContact CD1-CG1 4.43Å; I491-I495 HydrophobicContact CG1-CB 4.48Å; I491-I495 WeakPolarHBondContact O-CB 3.34Å; I491-I495 WeakPolarHBondContact O-CG2 3.44Å; I491-I495 PolarHBondContact O-N 3.2Å; I495-P497 WeakPolarHBondContact O-CD 3.32Å; I495-L499 HydrophobicContact CD1-CD2 3.66Å; I495-L499 HydrophobicContact CD1-CG 3.9Å; I495-L499 HydrophobicContact CG1-CB 4.37Å; I495-L499 HydrophobicContact CG1-CD2 3.76Å; I495-L499 HydrophobicContact CG1-CG 4.17Å; I495-L500 HydrophobicContact CG2-CB 4.1Å; I495-L500 HydrophobicContact CG2-CD1 3.9Å; I495-L500 HydrophobicContact CG2-CG 4.44Å
496	D	94.3	Very high	94.6	Very high	92 Å²	92	56.5 Å²	56.5	49%	0.492	30%	0.304	S	S	.	.			trans	-53.1	123	173.7	177.4	0.2	0	0	0	110.6	E498 L499 L500	D496-E498 PolarHBondContact O-N 2.68Å; D496-E498 PolarHBondContact OD1-N 2.95Å; D496-L499 HydrophobicContact CB-CB 3.98Å; D496-L499 WeakPolarHBondContact O-CB 3.17Å; D496-L499 PolarHBondContact O-N 2.83Å; D496-L500 PolarHBondContact O-N 3.48Å
497	P	94.2	Very high	94.5	Very high	105 Å²	105	55.2 Å²	55.2	68%	0.682	30%	0.298	S	S	*	.	H	α-helix	trans	-55.4	-32.3	178.5	-27.3	35.5	0	0	0	114.2	I495 L500 G501	I495-P497 WeakPolarHBondContact O-CD 3.32Å; P497-L500 PolarHBondContact O-N 3.01Å; P497-G501 PolarHBondContact O-N 3.38Å
498	E	91.8	Very high	94.3	Very high	122 Å²	122	59.9 Å²	59.9	57%	0.57	32%	0.321	S	S	*	.	H	α-helix	trans	-67.7	-41.8	176.4	-168.3	-169.9	144.8	0	0	110.9	D496 G501 K502	D496-E498 PolarHBondContact O-N 2.68Å; D496-E498 PolarHBondContact OD1-N 2.95Å; E498-G501 PolarHBondContact O-N 2.9Å; E498-K502 WeakPolarHBondContact O-CG 3.22Å; E498-K502 PolarHBondContact O-N 3.19Å; E498-K502 VanDerWaalsContact OE1-CE 3.26Å; E498-K502 WeakPolarHBondContact OE1-CE 3.27Å; E498-K502 IonicContact OE1-NZ 3.7Å; E498-K502 PolarHBondContact OE1-NZ 2.87Å
499	L	91	Very high	94.1	Very high	18 Å²	18	58.2 Å²	58.2	9%	0.094	31%	0.312	C	S	.	.	H	α-helix	trans	-63.7	-44.4	176	-180	57.1	0	0	0	111	W462 L464 I495 D496 G501 K502 M503 F524	W462-L499 HydrophobicContact CE3-CD2 4.45Å; W462-L499 HydrophobicContact CH2-CD1 4.34Å; W462-L499 HydrophobicContact CH2-CD2 3.75Å; W462-L499 HydrophobicContact CZ2-CD1 4.47Å; W462-L499 HydrophobicContact CZ3-CD2 3.65Å; L464-L499 HydrophobicContact CD1-CD1 4.27Å; L464-L499 HydrophobicContact CD1-CD2 4.22Å; I495-L499 HydrophobicContact CD1-CD2 3.66Å; I495-L499 HydrophobicContact CD1-CG 3.9Å; I495-L499 HydrophobicContact CG1-CB 4.37Å; I495-L499 HydrophobicContact CG1-CD2 3.76Å; I495-L499 HydrophobicContact CG1-CG 4.17Å; D496-L499 HydrophobicContact CB-CB 3.98Å; D496-L499 WeakPolarHBondContact O-CB 3.17Å; D496-L499 PolarHBondContact O-N 2.83Å; L499-G501 PolarHBondContact O-N 3.15Å; L499-K502 PolarHBondContact O-N 2.03Å; L499-M503 WeakPolarHBondContact O-CG 3.38Å; L499-M503 PolarHBondContact O-N 2.05Å; L499-M503 VanDerWaalsContact O-N 3.12Å; L499-F524 HydrophobicContact CD1-CD1 4.36Å; L499-F524 HydrophobicContact CD1-CE1 3.2Å; L499-F524 HydrophobicContact CD1-CE2 4.46Å; L499-F524 HydrophobicContact CD1-CZ 3.27Å
500	L	92.5	Very high	94	Very high	47 Å²	47	54.5 Å²	54.5	25%	0.246	29%	0.289	C	S	.	.	H	α-helix	trans	-57.9	-47.4	175.3	-169.2	69.1	0	0	0	111.5	Y466 V476 V478 I495 D496 P497 K502 M503 N504	Y466-L500 HydrophobicContact CD2-CD1 3.9Å; Y466-L500 HydrophobicContact CE2-CD1 3.5Å; Y466-L500 VanDerWaalsContact CE2-CD1 3.5Å; Y466-L500 HydrophobicContact CE2-CG 4.34Å; V476-L500 HydrophobicContact CG1-CD1 4.49Å; V478-L500 HydrophobicContact CG2-CD1 3.79Å; I495-L500 HydrophobicContact CG2-CB 4.1Å; I495-L500 HydrophobicContact CG2-CD1 3.9Å; I495-L500 HydrophobicContact CG2-CG 4.44Å; D496-L500 PolarHBondContact O-N 3.48Å; P497-L500 PolarHBondContact O-N 3.01Å; L500-K502 VanDerWaalsContact C-N 3.32Å; L500-K502 PolarHBondContact O-N 3.06Å; L500-M503 PolarHBondContact O-N 3.17Å; L500-M503 VanDerWaalsContact O-N 3.16Å; L500-N504 PolarHBondContact O-N 2.85Å
501	G	92.5	Very high	93.9	Very high	39 Å²	39	57.1 Å²	57.1	40%	0.402	30%	0.3	S	S	.	.	H	α-helix	trans	-59.9	-38.8	177.5	0	0	0	0	0	113.1	P497 E498 L499 Y505	P497-G501 PolarHBondContact O-N 3.38Å; E498-G501 PolarHBondContact O-N 2.9Å; L499-G501 PolarHBondContact O-N 3.15Å; G501-Y505 WeakPolarHBondContact O-CB 3.15Å; G501-Y505 PolarHBondContact O-N 3.17Å
502	K	91	Very high	93.7	Very high	82 Å²	82	58 Å²	58	36%	0.357	31%	0.31	S	S	.	.	H	α-helix	trans	-63.8	-41.3	174.4	-73.6	172.6	-174.6	163.7	0	112.3	E498 L499 L500 R506 V523 F524	E498-K502 WeakPolarHBondContact O-CG 3.22Å; E498-K502 PolarHBondContact O-N 3.19Å; E498-K502 VanDerWaalsContact OE1-CE 3.26Å; E498-K502 WeakPolarHBondContact OE1-CE 3.27Å; E498-K502 IonicContact OE1-NZ 3.7Å; E498-K502 PolarHBondContact OE1-NZ 2.87Å; L499-K502 PolarHBondContact O-N 2.03Å; L500-K502 VanDerWaalsContact C-N 3.32Å; L500-K502 PolarHBondContact O-N 3.06Å; K502-R506 WeakPolarHBondContact O-CB 3.4Å; K502-R506 PolarHBondContact O-N 3.01Å; K502-V523 HydrophobicContact CB-CG2 4.22Å; K502-F524 HydrophobicContact CB-CE1 4.19Å; K502-F524 HydrophobicContact CB-CZ 4.27Å; K502-F524 HydrophobicContact CD-CE1 4.07Å
503	M	92.6	Very high	93.7	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-70.3	-45	179.9	-63.4	-174.9	85.7	0	0	112.1	L464 Y466 V478 L499 L500 Y505 R506 L507 F524	L464-M503 HydrophobicContact CB-CE 3.47Å; L464-M503 VanDerWaalsContact CB-CE 3.47Å; L464-M503 HydrophobicContact CB-SD 4.32Å; L464-M503 HydrophobicContact CD1-CE 3.99Å; L464-M503 HydrophobicContact CD1-SD 3.8Å; L464-M503 HydrophobicContact CG-CE 4.38Å; Y466-M503 HydrophobicContact CD1-CB 4.1Å; Y466-M503 HydrophobicContact CD2-CB 3.91Å; Y466-M503 HydrophobicContact CG-CB 3.68Å; Y466-M503 HydrophobicContact CG-CE 4.41Å; V478-M503 HydrophobicContact CG1-SD 4.4Å; L499-M503 WeakPolarHBondContact O-CG 3.38Å; L499-M503 PolarHBondContact O-N 2.05Å; L499-M503 VanDerWaalsContact O-N 3.12Å; L500-M503 PolarHBondContact O-N 3.17Å; L500-M503 VanDerWaalsContact O-N 3.16Å; M503-Y505 VanDerWaalsContact C-N 3.33Å; M503-Y505 PolarHBondContact O-N 3.3Å; M503-R506 WeakPolarHBondContact O-CB 3.14Å; M503-R506 PolarHBondContact O-N 3.44Å; M503-R506 VanDerWaalsContact O-N 3.16Å; M503-L507 PolarHBondContact O-N 3.26Å; M503-F524 HydrophobicContact CG-CE2 4.19Å; M503-F524 HydrophobicContact CG-CZ 3.87Å
504	N	94	Very high	93.7	Very high	52 Å²	52	48.9 Å²	48.9	28%	0.278	27%	0.272	S	S	.	.	H	α-helix	trans	-54.9	-49.7	171.6	169.9	-99.2	0	0	0	111.1	Y466 E468 L500 R506 L507 M508	Y466-N504 HydrophobicContact CE1-CB 4.15Å; Y466-N504 WeakPolarHBondContact OH-CB 3.3Å; Y466-N504 PolarHBondContact OH-ND2 2.89Å; E468-N504 PolarHBondContact OE1-ND2 3.21Å; L500-N504 PolarHBondContact O-N 2.85Å; N504-R506 VanDerWaalsContact C-N 3.29Å; N504-R506 PolarHBondContact O-N 3.26Å; N504-L507 WeakPolarHBondContact O-CB 3.33Å; N504-L507 PolarHBondContact O-N 3.49Å; N504-M508 WeakPolarHBondContact O-CG 3.47Å; N504-M508 PolarHBondContact O-N 3.07Å
505	Y	91.8	Very high	93.6	Very high	43 Å²	43	43.4 Å²	43.4	17%	0.169	24%	0.238	C	C	.	.	H	α-helix	trans	-57.9	-42.4	177.2	174	-93.1	0	0	0	112.3	G501 M503 L507 M508 M509 V523 Y528 F530 M535	G501-Y505 WeakPolarHBondContact O-CB 3.15Å; G501-Y505 PolarHBondContact O-N 3.17Å; M503-Y505 VanDerWaalsContact C-N 3.33Å; M503-Y505 PolarHBondContact O-N 3.3Å; Y505-L507 VanDerWaalsContact C-N 3.33Å; Y505-L507 PolarHBondContact O-N 3.09Å; Y505-M508 PolarHBondContact O-N 3.45Å; Y505-M509 HydrophobicContact CD1-CG 4.33Å; Y505-M509 HydrophobicContact CE1-CG 3.57Å; Y505-M509 HydrophobicContact CE2-CG 4.13Å; Y505-M509 HydrophobicContact CE2-SD 4.46Å; Y505-M509 VanDerWaalsContact CZ-CG 3.42Å; Y505-M509 WeakPolarHBondContact O-CG 2.78Å; Y505-M509 PolarHBondContact O-N 3.31Å; Y505-M509 VanDerWaalsContact O-N 3.07Å; Y505-M509 WeakPolarHBondContact OH-CG 3.32Å; Y505-M509 PolarHBondContact OH-SD 3.16Å; Y505-V523 HydrophobicContact CD1-CG1 3.96Å; Y505-V523 HydrophobicContact CE1-CG1 4.3Å; Y505-Y528 VanDerWaalsContact CE1-OH 3.23Å; Y505-Y528 WeakPolarHBondContact CE1-OH 3.1Å; Y505-Y528 PolarHBondContact OH-OH 3.06Å; Y505-F530 HydrophobicContact CD2-CE2 4.47Å; Y505-F530 HydrophobicContact CE1-CD2 4Å; Y505-F530 HydrophobicContact CE1-CE2 4.3Å; Y505-F530 AromaticContact CE2-CD2 3.91Å; Y505-F530 HydrophobicContact CE2-CD2 3.91Å; Y505-F530 AromaticContact CE2-CE2 3.36Å; Y505-F530 HydrophobicContact CE2-CE2 3.36Å; Y505-F530 HydrophobicContact CE2-CZ 4.46Å; Y505-F530 AromaticContact CZ-CD2 3.35Å; Y505-F530 AromaticContact CZ-CE2 3.27Å; Y505-F530 WeakPolarHBondContact OH-CD2 3.16Å; Y505-F530 WeakPolarHBondContact OH-CE2 3.15Å; Y505-M535 HydrophobicContact CD2-CE 4.14Å; Y505-M535 HydrophobicContact CE2-CE 3.2Å
506	R	93.1	Very high	93.5	Very high	3 Å²	3	45.9 Å²	45.9	1%	0.011	26%	0.255	C	S	.	.	H	α-helix	trans	-64.5	-38.2	175.8	-175.9	49.6	163.9	173.8	3.1	112	D411 V455 K502 M503 N504 M509 L510 T520 P521 V523	D411-R506 HydrophobicContact CB-CG 4.33Å; D411-R506 WeakPolarHBondContact OD2-CG 3.49Å; D411-R506 IonicContact OD2-CZ 2.72Å; D411-R506 IonicContact OD2-NE 3.2Å; D411-R506 PolarHBondContact OD2-NE 2.91Å; D411-R506 IonicContact OD2-NH2 3.1Å; V455-R506 HydrophobicContact CG1-CG 3.93Å; V455-R506 HydrophobicContact CG2-CB 4.45Å; V455-R506 HydrophobicContact CG2-CG 4.27Å; K502-R506 WeakPolarHBondContact O-CB 3.4Å; K502-R506 PolarHBondContact O-N 3.01Å; M503-R506 WeakPolarHBondContact O-CB 3.14Å; M503-R506 PolarHBondContact O-N 3.44Å; M503-R506 VanDerWaalsContact O-N 3.16Å; N504-R506 VanDerWaalsContact C-N 3.29Å; N504-R506 PolarHBondContact O-N 3.26Å; R506-M509 PolarHBondContact O-N 3Å; R506-L510 HydrophobicContact CG-CD1 4.1Å; R506-L510 HydrophobicContact CG-CG 4.5Å; R506-L510 WeakPolarHBondContact O-CG 3.41Å; R506-L510 PolarHBondContact O-N 3.19Å; R506-T520 PolarHBondContact NH1-OG1 3.31Å; R506-T520 PolarHBondContact NH2-O 3.38Å; R506-P521 PolarHBondContact NH2-O 3.19Å; R506-V523 HydrophobicContact CB-CG1 3.78Å; R506-V523 HydrophobicContact CB-CG2 3.95Å; R506-V523 HydrophobicContact CG-CG1 4.23Å; R506-V523 HydrophobicContact CG-CG2 4.35Å
507	L	95.2	Very high	93.3	Very high	1 Å²	1	43 Å²	43	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-59.4	-51.7	176.6	-175.2	59.7	0	0	0	110.4	L413 A453 V455 Y466 E468 M503 N504 Y505 M509 L510 Q511	L413-L507 HydrophobicContact CD1-CD1 3.6Å; A453-L507 HydrophobicContact CB-CD1 3.85Å; A453-L507 HydrophobicContact CB-CD2 4.45Å; V455-L507 HydrophobicContact CG2-CB 3.59Å; V455-L507 HydrophobicContact CG2-CD1 3.67Å; V455-L507 HydrophobicContact CG2-CG 4.21Å; Y466-L507 HydrophobicContact CD1-CB 4.3Å; Y466-L507 HydrophobicContact CD1-CD2 4.11Å; Y466-L507 HydrophobicContact CE1-CB 4.16Å; Y466-L507 HydrophobicContact CE1-CD2 3.76Å; E468-L507 HydrophobicContact CB-CD2 3.91Å; E468-L507 HydrophobicContact CG-CD2 3.8Å; E468-L507 WeakPolarHBondContact OE1-CD2 3.32Å; M503-L507 PolarHBondContact O-N 3.26Å; N504-L507 WeakPolarHBondContact O-CB 3.33Å; N504-L507 PolarHBondContact O-N 3.49Å; Y505-L507 VanDerWaalsContact C-N 3.33Å; Y505-L507 PolarHBondContact O-N 3.09Å; L507-M509 VanDerWaalsContact C-N 3.29Å; L507-M509 PolarHBondContact O-N 3.09Å; L507-L510 PolarHBondContact O-N 2.75Å; L507-L510 VanDerWaalsContact O-N 3.08Å; L507-Q511 HydrophobicContact CD1-CG 4.13Å; L507-Q511 HydrophobicContact CG-CG 4.38Å; L507-Q511 WeakPolarHBondContact O-CG 3.49Å; L507-Q511 PolarHBondContact O-N 3.19Å
508	M	93.4	Very high	93.3	Very high	100 Å²	100	38 Å²	38	49%	0.493	21%	0.209	S	C	.	.	H	α-helix	trans	-56.9	-41.7	177.2	-63.8	179.1	71.2	0	0	112.4	N504 Y505 S512	N504-M508 WeakPolarHBondContact O-CG 3.47Å; N504-M508 PolarHBondContact O-N 3.07Å; Y505-M508 PolarHBondContact O-N 3.45Å; M508-S512 WeakPolarHBondContact O-CB 3.39Å; M508-S512 PolarHBondContact O-N 2.96Å; M508-S512 PolarHBondContact O-OG 3.02Å
509	M	92.7	Very high	93.3	Very high	11 Å²	11	34.6 Å²	34.6	5%	0.054	19%	0.191	C	C	.	.	H	α-helix	trans	-63.3	-41.8	176.6	-77	-60.7	-57.7	0	0	112.5	Y505 R506 L507 S512 C513 L534 M535	Y505-M509 HydrophobicContact CD1-CG 4.33Å; Y505-M509 HydrophobicContact CE1-CG 3.57Å; Y505-M509 HydrophobicContact CE2-CG 4.13Å; Y505-M509 HydrophobicContact CE2-SD 4.46Å; Y505-M509 VanDerWaalsContact CZ-CG 3.42Å; Y505-M509 WeakPolarHBondContact O-CG 2.78Å; Y505-M509 PolarHBondContact O-N 3.31Å; Y505-M509 VanDerWaalsContact O-N 3.07Å; Y505-M509 WeakPolarHBondContact OH-CG 3.32Å; Y505-M509 PolarHBondContact OH-SD 3.16Å; R506-M509 PolarHBondContact O-N 3Å; L507-M509 VanDerWaalsContact C-N 3.29Å; L507-M509 PolarHBondContact O-N 3.09Å; M509-S512 PolarHBondContact O-OG 3.42Å; M509-C513 WeakPolarHBondContact O-CB 3.37Å; M509-C513 PolarHBondContact O-N 2.92Å; M509-L534 HydrophobicContact CE-CB 3.92Å; M509-M535 HydrophobicContact CE-CG 4.35Å; M509-M535 HydrophobicContact CG-CE 4.18Å; M509-M535 HydrophobicContact SD-CE 3.4Å; M509-M535 WeakPolarHBondContact SD-CE 3.48Å; M509-M535 HydrophobicContact SD-CG 3.36Å; M509-M535 WeakPolarHBondContact SD-CG 3.39Å; M509-M535 HydrophobicContact SD-SD 4.26Å
510	L	95.1	Very high	92.9	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-74.9	-37	-179.3	-73	174.1	0	0	0	112.5	H105 D411 L413 V455 R506 L507 S512 C513	H105-L510 PolarHBondContact CE1-O 2.86Å; H105-L510 VanDerWaalsContact CE1-O 3.29Å; D411-L510 HydrophobicContact CB-CD1 4.1Å; L413-L510 HydrophobicContact CB-CB 4.09Å; L413-L510 HydrophobicContact CB-CD1 4.28Å; L413-L510 HydrophobicContact CD1-CB 4.04Å; L413-L510 HydrophobicContact CD2-CB 4.24Å; L413-L510 HydrophobicContact CG-CB 4.36Å; V455-L510 HydrophobicContact CG1-CD1 4.22Å; V455-L510 HydrophobicContact CG2-CD1 4.19Å; R506-L510 HydrophobicContact CG-CD1 4.1Å; R506-L510 HydrophobicContact CG-CG 4.5Å; R506-L510 WeakPolarHBondContact O-CG 3.41Å; R506-L510 PolarHBondContact O-N 3.19Å; L507-L510 PolarHBondContact O-N 2.75Å; L507-L510 VanDerWaalsContact O-N 3.08Å; L510-S512 PolarHBondContact O-N 2.85Å; L510-C513 PolarHBondContact O-N 3.34Å; L510-C513 PolarHBondContact O-SG 3.25Å
511	Q	95.4	Very high	92.2	Very high	81 Å²	81	34.5 Å²	34.5	38%	0.379	19%	0.193	S	C	.	.	H	α-helix	trans	-68.7	-18.2	175.6	-70.1	-177.4	-69.8	0	0	113.5	L413 A453 L507	L413-Q511 HydrophobicContact CD1-CG 3.94Å; L413-Q511 HydrophobicContact CD2-CG 4.4Å; A453-Q511 HydrophobicContact CB-CG 4.13Å; L507-Q511 HydrophobicContact CD1-CG 4.13Å; L507-Q511 HydrophobicContact CG-CG 4.38Å; L507-Q511 WeakPolarHBondContact O-CG 3.49Å; L507-Q511 PolarHBondContact O-N 3.19Å
512	S	94.4	Very high	91.5	Very high	56 Å²	56	32.7 Å²	32.7	39%	0.392	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-3.2	179.3	62.6	0	0	0	0	113.9	M508 M509 L510	M508-S512 WeakPolarHBondContact O-CB 3.39Å; M508-S512 PolarHBondContact O-N 2.96Å; M508-S512 PolarHBondContact O-OG 3.02Å; M509-S512 PolarHBondContact O-OG 3.42Å; L510-S512 PolarHBondContact O-N 2.85Å
513	C	95.2	Very high	90.6	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.034	16%	0.163	C	C	.	.			trans	-76.5	159.2	-174.4	79.1	0	0	0	0	111.9	H105 N106 M509 L510 C518	H105-C513 PolarHBondContact NE2-O 3.39Å; N106-C513 PolarHBondContact ND2-O 2.69Å; N106-C513 PolarHBondContact OD1-O 3.33Å; M509-C513 WeakPolarHBondContact O-CB 3.37Å; M509-C513 PolarHBondContact O-N 2.92Å; L510-C513 PolarHBondContact O-N 3.34Å; L510-C513 PolarHBondContact O-SG 3.25Å; C513-C518 HydrophobicContact CB-CB 3.87Å; C513-C518 WeakPolarHBondContact CB-SG 3.16Å; C513-C518 WeakPolarHBondContact SG-CA 3.27Å; C513-C518 WeakPolarHBondContact SG-CB 3.44Å; C513-C518 CovalentContact SG-SG 2.03Å; C513-C518 PolarHBondContact SG-SG 3.04Å
514	S	95.9	Very high	89.6	Confident	31 Å²	31	31.6 Å²	31.6	22%	0.217	17%	0.171	C	C	.	.			trans	-155	135.4	171	-159.2	0	0	0	0	110.5	N106 T517 C518	N106-S514 WeakPolarHBondContact OD1-CB 3.35Å; N106-S514 PolarHBondContact OD1-OG 3.23Å; S514-T517 PolarHBondContact N-OG1 3.04Å; S514-T517 PolarHBondContact O-N 2.91Å; S514-T517 PolarHBondContact O-OG1 3.48Å; S514-C518 PolarHBondContact N-SG 3.22Å; S514-C518 VanDerWaalsContact N-SG 3.37Å
515	G	95.2	Very high	88.5	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	58	-133.2	-178.2	0	0	0	0	0	111.9	M391 D392 T517 C518	M391-G515 CarbonylContact O-C 3.57Å; M391-G515 WeakPolarHBondContact O-CA 3.2Å; D392-G515 WeakPolarHBondContact OD1-CA 3.27Å; D392-G515 PolarHBondContact OD1-N 2.81Å; G515-T517 PolarHBondContact O-N 2.73Å; G515-C518 WeakPolarHBondContact O-CB 3.41Å; G515-C518 PolarHBondContact O-N 2.65Å; G515-C518 VanDerWaalsContact O-N 3.08Å
516	P	91.7	Very high	87	Confident	73 Å²	73	36.1 Å²	36.1	47%	0.474	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-57.4	-22.7	-178	-27	35.7	0	0	0	115.7	C518 R519	P516-C518 PolarHBondContact O-N 3.31Å; P516-R519 WeakPolarHBondContact O-CB 3.49Å; P516-R519 PolarHBondContact O-N 2.94Å; P516-R519 VanDerWaalsContact O-N 3.15Å
517	T	91.6	Very high	85.7	Confident	31 Å²	31	38.4 Å²	38.4	19%	0.19	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-70.7	-18.3	179.7	69.4	0	0	0	0	112.7	S514 G515 R519 T520 L534	S514-T517 PolarHBondContact N-OG1 3.04Å; S514-T517 PolarHBondContact O-N 2.91Å; S514-T517 PolarHBondContact O-OG1 3.48Å; G515-T517 PolarHBondContact O-N 2.73Å; T517-R519 VanDerWaalsContact C-N 3.29Å; T517-R519 PolarHBondContact O-N 3.05Å; T517-T520 WeakPolarHBondContact O-CG2 3.22Å; T517-L534 HydrophobicContact CG2-CD2 4.01Å
518	C	94.1	Very high	84.3	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.007	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-74.1	-16.9	172.5	-62.7	0	0	0	0	113.9	Y103 D392 C513 S514 G515 P516 T520	Y103-C518 HydrophobicContact CE2-CB 4.25Å; D392-C518 HydrophobicContact CB-CB 3.77Å; D392-C518 VanDerWaalsContact CG-SG 3.51Å; C513-C518 HydrophobicContact CB-CB 3.87Å; C513-C518 WeakPolarHBondContact CB-SG 3.16Å; C513-C518 WeakPolarHBondContact SG-CA 3.27Å; C513-C518 WeakPolarHBondContact SG-CB 3.44Å; C513-C518 CovalentContact SG-SG 2.03Å; C513-C518 PolarHBondContact SG-SG 3.04Å; S514-C518 PolarHBondContact N-SG 3.22Å; S514-C518 VanDerWaalsContact N-SG 3.37Å; G515-C518 WeakPolarHBondContact O-CB 3.41Å; G515-C518 PolarHBondContact O-N 2.65Å; G515-C518 VanDerWaalsContact O-N 3.08Å; P516-C518 PolarHBondContact O-N 3.31Å; C518-T520 VanDerWaalsContact C-N 3.3Å; C518-T520 PolarHBondContact O-N 2.96Å
519	R	90.8	Very high	82.8	Confident	51 Å²	51	46.7 Å²	46.7	19%	0.192	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-93.1	21	-170.5	-54	174.7	-171.1	169.9	-2	113.3	M391 D392 G393 M394 P516 T517	M391-R519 VanDerWaalsContact O-CZ 3.31Å; M391-R519 PolarHBondContact O-NE 2.88Å; M391-R519 PolarHBondContact O-NH2 3.39Å; D392-R519 WeakPolarHBondContact O-CG 3.47Å; G393-R519 PolarHBondContact O-NE 2.77Å; M394-R519 HydrophobicContact CG-CB 3.9Å; M394-R519 HydrophobicContact CG-CG 3.72Å; M394-R519 HydrophobicContact SD-CB 4.04Å; P516-R519 WeakPolarHBondContact O-CB 3.49Å; P516-R519 PolarHBondContact O-N 2.94Å; P516-R519 VanDerWaalsContact O-N 3.15Å; T517-R519 VanDerWaalsContact C-N 3.29Å; T517-R519 PolarHBondContact O-N 3.05Å
520	T	82.7	Confident	81.1	Confident	29 Å²	29	51.6 Å²	51.6	18%	0.178	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-77.7	147.7	-175.3	48.6	0	0	0	0	111.4	R506 T517 C518 L534	R506-T520 PolarHBondContact NH1-OG1 3.31Å; R506-T520 PolarHBondContact NH2-O 3.38Å; T517-T520 WeakPolarHBondContact O-CG2 3.22Å; C518-T520 VanDerWaalsContact C-N 3.3Å; C518-T520 PolarHBondContact O-N 2.96Å; T520-L534 HydrophobicContact CG2-CD1 4.39Å
521	P	78.5	Confident	79.6	Confident	34 Å²	34	53.4 Å²	53.4	22%	0.221	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-52.5	151.4	168.2	-23	33.1	0	0	0	110.8	T407 R506 D525 Y528	T407-P521 HydrophobicContact CG2-CG 4.19Å; R506-P521 PolarHBondContact NH2-O 3.19Å; P521-D525 HydrophobicContact CB-CB 3.76Å; P521-Y528 WeakPolarHBondContact O-CD2 3.36Å
522	G	76.2	Confident	77.9	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-72.4	164	179.3	0	0	0	0	0	113.2	S410 D411 F524 D525 Y528	S410-G522 WeakPolarHBondContact OG-CA 3.48Å; S410-G522 PolarHBondContact OG-N 2.78Å; D411-G522 WeakPolarHBondContact OD2-CA 3.46Å; G522-F524 PolarHBondContact O-N 2.94Å; G522-D525 VanDerWaalsContact O-CB 3.24Å; G522-D525 WeakPolarHBondContact O-CB 3.44Å; G522-D525 PolarHBondContact O-N 3.39Å; G522-Y528 WeakPolarHBondContact O-CB 3.5Å
523	V	73.1	Confident	76.4	Confident	21 Å²	21	58.3 Å²	58.3	13%	0.127	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.7	-177.1	-69.7	0	0	0	0	114.1	K502 Y505 R506 Y528	K502-V523 HydrophobicContact CB-CG2 4.22Å; Y505-V523 HydrophobicContact CD1-CG1 3.96Å; Y505-V523 HydrophobicContact CE1-CG1 4.3Å; R506-V523 HydrophobicContact CB-CG1 3.78Å; R506-V523 HydrophobicContact CB-CG2 3.95Å; R506-V523 HydrophobicContact CG-CG1 4.23Å; R506-V523 HydrophobicContact CG-CG2 4.35Å; V523-Y528 HydrophobicContact CG1-CE1 4.22Å; V523-Y528 HydrophobicContact CG1-CE2 4.26Å
524	F	70.7	Confident	74.5	Confident	40 Å²	40	60.5 Å²	60.5	18%	0.175	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-1.9	175.5	-55	-65.4	0	0	0	113.7	T457 W462 L499 K502 M503 G522	T457-F524 HydrophobicContact CG2-CD2 3.69Å; T457-F524 HydrophobicContact CG2-CE2 3.97Å; W462-F524 AromaticContact CD1-CG 3.73Å; W462-F524 HydrophobicContact CG-CG 4.4Å; W462-F524 AromaticContact NE1-CD1 3.83Å; W462-F524 AromaticContact NE1-CG 3.97Å; L499-F524 HydrophobicContact CD1-CD1 4.36Å; L499-F524 HydrophobicContact CD1-CE1 3.2Å; L499-F524 HydrophobicContact CD1-CE2 4.46Å; L499-F524 HydrophobicContact CD1-CZ 3.27Å; K502-F524 HydrophobicContact CB-CE1 4.19Å; K502-F524 HydrophobicContact CB-CZ 4.27Å; K502-F524 HydrophobicContact CD-CE1 4.07Å; M503-F524 HydrophobicContact CG-CE2 4.19Å; M503-F524 HydrophobicContact CG-CZ 3.87Å; G522-F524 PolarHBondContact O-N 2.94Å
525	D	70.8	Confident	72.2	Confident	55 Å²	55	61.8 Å²	61.8	29%	0.294	32%	0.316	S	S	.	.	S	Bend	trans	-76.4	130.4	175.3	-166.2	-69.1	0	0	0	109.9	P521 G522 G527 Y528	P521-D525 HydrophobicContact CB-CB 3.76Å; G522-D525 VanDerWaalsContact O-CB 3.24Å; G522-D525 WeakPolarHBondContact O-CB 3.44Å; G522-D525 PolarHBondContact O-N 3.39Å; D525-G527 PolarHBondContact O-N 3.49Å; D525-G527 VanDerWaalsContact O-N 3.14Å; D525-G527 WeakPolarHBondContact OD1-CA 3.38Å; D525-G527 PolarHBondContact OD1-N 2.95Å; D525-Y528 WeakPolarHBondContact O-CB 3.18Å; D525-Y528 PolarHBondContact O-N 2.96Å
526	P	61.4	Low	70.2	Confident	135 Å²	135	69 Å²	69	88%	0.877	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-26	176.8	-24.5	33.8	0	0	0	114.1	Y528	P526-Y528 VanDerWaalsContact C-N 3.28Å
527	G	65	Low	68.2	Low	51 Å²	51	68.6 Å²	68.6	53%	0.526	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-4.6	174.6	0	0	0	0	0	114	D525 R529	D525-G527 PolarHBondContact O-N 3.49Å; D525-G527 VanDerWaalsContact O-N 3.14Å; D525-G527 WeakPolarHBondContact OD1-CA 3.38Å; D525-G527 PolarHBondContact OD1-N 2.95Å; G527-R529 PolarHBondContact O-N 3.03Å
528	Y	66.4	Low	65.9	Low	53 Å²	53	73.2 Å²	73.2	21%	0.208	37%	0.37	C	S	.	.			trans	-61.8	122.1	177.5	-176.8	-100.5	0	0	0	110.5	Y505 P521 G522 V523 D525 P526 F530	Y505-Y528 VanDerWaalsContact CE1-OH 3.23Å; Y505-Y528 WeakPolarHBondContact CE1-OH 3.1Å; Y505-Y528 PolarHBondContact OH-OH 3.06Å; P521-Y528 WeakPolarHBondContact O-CD2 3.36Å; G522-Y528 WeakPolarHBondContact O-CB 3.5Å; V523-Y528 HydrophobicContact CG1-CE1 4.22Å; V523-Y528 HydrophobicContact CG1-CE2 4.26Å; D525-Y528 WeakPolarHBondContact O-CB 3.18Å; D525-Y528 PolarHBondContact O-N 2.96Å; P526-Y528 VanDerWaalsContact C-N 3.28Å; Y528-F530 HydrophobicContact CE1-CB 4.1Å
529	R	61.5	Low	63.2	Low	222 Å²	222	84.8 Å²	84.8	84%	0.838	41%	0.414	S	S	*	.			trans	-120.8	118.4	169.3	-64.8	-166.3	-176.9	-151.7	1.8	108.3	G527 D531	G527-R529 PolarHBondContact O-N 3.03Å; R529-D531 PolarHBondContact O-N 2.99Å
530	F	58	Low	60.5	Low	114 Å²	114	85.4 Å²	85.4	50%	0.5	44%	0.435	S	S	.	.			trans	-59.2	122.5	170.9	176.3	-91.6	0	0	0	109.6	Y505 Y528 P532	Y505-F530 HydrophobicContact CD2-CE2 4.47Å; Y505-F530 HydrophobicContact CE1-CD2 4Å; Y505-F530 HydrophobicContact CE1-CE2 4.3Å; Y505-F530 AromaticContact CE2-CD2 3.91Å; Y505-F530 HydrophobicContact CE2-CD2 3.91Å; Y505-F530 AromaticContact CE2-CE2 3.36Å; Y505-F530 HydrophobicContact CE2-CE2 3.36Å; Y505-F530 HydrophobicContact CE2-CZ 4.46Å; Y505-F530 AromaticContact CZ-CD2 3.35Å; Y505-F530 AromaticContact CZ-CE2 3.27Å; Y505-F530 WeakPolarHBondContact OH-CD2 3.16Å; Y505-F530 WeakPolarHBondContact OH-CE2 3.15Å; Y528-F530 HydrophobicContact CE1-CB 4.1Å; F530-P532 HydrophobicContact CD1-CG 4.31Å; F530-P532 HydrophobicContact CE1-CB 3.57Å; F530-P532 HydrophobicContact CE1-CG 3.59Å; F530-P532 HydrophobicContact CZ-CB 3.75Å; F530-P532 HydrophobicContact CZ-CG 4.3Å
531	D	63.5	Low	58	Low	39 Å²	39	89.3 Å²	89.3	21%	0.209	46%	0.464	C	S	.	.			trans	-126.5	103.2	168.4	-172.9	-11.2	0	0	0	108.8	R529 R533 L534	R529-D531 PolarHBondContact O-N 2.99Å; D531-R533 PolarHBondContact O-N 3.21Å; D531-R533 VanDerWaalsContact O-N 3.11Å; D531-R533 WeakPolarHBondContact OD1-CB 3.45Å; D531-R533 WeakPolarHBondContact OD1-CG 3.26Å; D531-R533 IonicContact OD1-CZ 3.68Å; D531-R533 IonicContact OD1-NE 3.58Å; D531-R533 PolarHBondContact OD1-N 3.47Å; D531-R533 PolarHBondContact OD2-NH2 3.28Å; D531-R533 IonicContact OD2-NH2 2.68Å; D531-R533 PolarHBondContact OD2-NE 2.76Å; D531-R533 IonicContact OD2-NE 3.58Å; D531-R533 IonicContact OD2-CZ 2.85Å; D531-R533 IonicContact OD1-NH2 2.86Å; D531-R533 PolarHBondContact OD1-NE 3.05Å; D531-L534 HydrophobicContact CB-CD1 3.88Å; D531-L534 HydrophobicContact CB-CG 3.97Å; D531-L534 WeakPolarHBondContact O-CB 3.45Å; D531-L534 PolarHBondContact O-N 2.82Å
532	P	59.7	Low	55.7	Low	60 Å²	60	94.3 Å²	94.3	39%	0.39	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-65	-18.3	-177	25.3	-29	0	0	0	112.1	F530 L534 M535 F536	F530-P532 HydrophobicContact CD1-CG 4.31Å; F530-P532 HydrophobicContact CE1-CB 3.57Å; F530-P532 HydrophobicContact CE1-CG 3.59Å; F530-P532 HydrophobicContact CZ-CB 3.75Å; F530-P532 HydrophobicContact CZ-CG 4.3Å; P532-L534 PolarHBondContact O-N 3.36Å; P532-M535 WeakPolarHBondContact O-CB 3.49Å; P532-M535 PolarHBondContact O-N 3.14Å; P532-M535 VanDerWaalsContact O-N 3.15Å; P532-F536 WeakPolarHBondContact O-CD2 3.42Å
533	R	63.1	Low	53.6	Low	180 Å²	180	105 Å²	105	68%	0.679	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-65.7	-25	175.8	-58.9	172.6	-68.3	-178.5	2.2	111.6	D531 M535 F536 S537	D531-R533 PolarHBondContact O-N 3.21Å; D531-R533 VanDerWaalsContact O-N 3.11Å; D531-R533 WeakPolarHBondContact OD1-CB 3.45Å; D531-R533 WeakPolarHBondContact OD1-CG 3.26Å; D531-R533 IonicContact OD1-CZ 3.68Å; D531-R533 IonicContact OD1-NE 3.58Å; D531-R533 PolarHBondContact OD1-N 3.47Å; D531-R533 PolarHBondContact OD2-NH2 3.28Å; D531-R533 IonicContact OD2-NH2 2.68Å; D531-R533 PolarHBondContact OD2-NE 2.76Å; D531-R533 IonicContact OD2-NE 3.58Å; D531-R533 IonicContact OD2-CZ 2.85Å; D531-R533 IonicContact OD1-NH2 2.86Å; D531-R533 PolarHBondContact OD1-NE 3.05Å; R533-M535 PolarHBondContact O-N 2.8Å; R533-F536 VanDerWaalsContact O-N 3.15Å; R533-F536 PolarHBondContact O-N 2.88Å; R533-S537 PolarHBondContact O-N 2.86Å; R533-S537 VanDerWaalsContact O-N 3.1Å
534	L	54.2	Low	51.4	Low	51 Å²	51	110.8 Å²	110.8	27%	0.267	57%	0.569	S	S	.	*	G	3₁₀ helix	trans	-68.5	-21	176.2	-63.5	174.6	0	0	0	112.7	M509 T517 T520 D531 P532 F536	M509-L534 HydrophobicContact CE-CB 3.92Å; T517-L534 HydrophobicContact CG2-CD2 4.01Å; T520-L534 HydrophobicContact CG2-CD1 4.39Å; D531-L534 HydrophobicContact CB-CD1 3.88Å; D531-L534 HydrophobicContact CB-CG 3.97Å; D531-L534 WeakPolarHBondContact O-CB 3.45Å; D531-L534 PolarHBondContact O-N 2.82Å; P532-L534 PolarHBondContact O-N 3.36Å; L534-F536 VanDerWaalsContact C-N 3.34Å
535	M	48.6	Very low	49.4	Very low	57 Å²	57	119.5 Å²	119.5	28%	0.281	60%	0.601	S	S	.	*	G	3₁₀ helix	trans	-74.8	-24.4	171.9	-68	-173.8	174.5	0	0	113.2	Y505 M509 P532 R533	Y505-M535 HydrophobicContact CD2-CE 4.14Å; Y505-M535 HydrophobicContact CE2-CE 3.2Å; M509-M535 HydrophobicContact CE-CG 4.35Å; M509-M535 HydrophobicContact CG-CE 4.18Å; M509-M535 HydrophobicContact SD-CE 3.4Å; M509-M535 WeakPolarHBondContact SD-CE 3.48Å; M509-M535 HydrophobicContact SD-CG 3.36Å; M509-M535 WeakPolarHBondContact SD-CG 3.39Å; M509-M535 HydrophobicContact SD-SD 4.26Å; P532-M535 WeakPolarHBondContact O-CB 3.49Å; P532-M535 PolarHBondContact O-N 3.14Å; P532-M535 VanDerWaalsContact O-N 3.15Å; R533-M535 PolarHBondContact O-N 2.8Å
536	F	51.9	Low	47.3	Very low	152 Å²	152	128.8 Å²	128.8	67%	0.667	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.6	5.2	-169.7	-58.9	-66.7	0	0	0	113.7	P532 R533 L534 N538 R539	P532-F536 WeakPolarHBondContact O-CD2 3.42Å; R533-F536 VanDerWaalsContact O-N 3.15Å; R533-F536 PolarHBondContact O-N 2.88Å; L534-F536 VanDerWaalsContact C-N 3.34Å; F536-N538 PolarHBondContact O-N 2.92Å; F536-R539 PolarHBondContact O-N 3.32Å
537	S	49.5	Very low	45.9	Very low	65 Å²	65	131.7 Å²	131.7	46%	0.455	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69	-5.8	-172.1	57	0	0	0	0	115	R533	R533-S537 PolarHBondContact O-N 2.86Å; R533-S537 VanDerWaalsContact O-N 3.1Å
538	N	45	Very low	44.3	Very low	128 Å²	128	134.5 Å²	134.5	68%	0.684	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	13.5	176.4	-97	-8.1	0	0	0	115.9	F536 G540	F536-N538 PolarHBondContact O-N 2.92Å; N538-G540 PolarHBondContact O-N 3.27Å; N538-G540 VanDerWaalsContact C-N 3.27Å
539	R	37.4	Very low	42.5	Very low	244 Å²	244	140.8 Å²	140.8	92%	0.921	67%	0.671	S	S	*	*			trans	-89.3	60.1	162.2	-72.9	-168.2	-179.5	-171.3	2.6	112	F536	F536-R539 PolarHBondContact O-N 3.32Å
540	G	33.2	Very low	41.1	Very low	63 Å²	63	138.6 Å²	138.6	65%	0.649	67%	0.67	S	S	*	*			trans	-84.9	105.6	166.3	0	0	0	0	0	111.2	N538	N538-G540 PolarHBondContact O-N 3.27Å; N538-G540 VanDerWaalsContact C-N 3.27Å
541	S	30.7	Very low	40.1	Very low	112 Å²	112	140.6 Å²	140.6	78%	0.783	69%	0.685	S	S	*	*			trans	53.2	64	156	172.6	0	0	0	0	117.2	R543	S541-R543 PolarHBondContact O-N 3.1Å
542	V	30.5	Very low	38.8	Very low	138 Å²	138	150.2 Å²	150.2	84%	0.836	74%	0.735	S	S	*	*			trans	-81.6	102.7	152.6	179.6	0	0	0	0	107.4	T544	V542-T544 PolarHBondContact O-N 3.12Å; V542-T544 VanDerWaalsContact O-N 3.12Å
543	R	30.6	Very low	37.8	Very low	226 Å²	226	154.8 Å²	154.8	85%	0.853	75%	0.753	S	S	*	*			trans	-52.2	117.5	164.2	-97.9	179.7	169.6	179.5	-3.2	108	S541 R545	S541-R543 PolarHBondContact O-N 3.1Å; R543-R545 PolarHBondContact O-N 3.37Å
544	T	27.3	Very low	36.4	Very low	141 Å²	141	153.4 Å²	153.4	87%	0.865	76%	0.757	S	S	*	*			trans	-55	95.2	168	35.7	0	0	0	0	110	V542 R546	V542-T544 PolarHBondContact O-N 3.12Å; V542-T544 VanDerWaalsContact O-N 3.12Å; T544-R546 PolarHBondContact O-N 3.16Å
545	R	29.2	Very low	35.5	Very low	224 Å²	224	159.1 Å²	159.1	85%	0.845	78%	0.784	S	S	*	*			trans	-81.2	104.2	160.2	-86.3	-170.5	175	-167.8	-0.3	107.7	R543 F547	R543-R545 PolarHBondContact O-N 3.37Å; R545-F547 PolarHBondContact O-N 3.37Å; R545-F547 VanDerWaalsContact O-N 3.16Å
546	R	26.1	Very low	34.7	Very low	250 Å²	250	165.1 Å²	165.1	94%	0.943	81%	0.813	S	S	*	*			trans	-46.5	115.2	161.2	-87.4	178	169.4	179.1	-3.3	108.7	T544	T544-R546 PolarHBondContact O-N 3.16Å
547	F	31.8	Very low	33.6	Very low	196 Å²	196	165.9 Å²	165.9	86%	0.86	82%	0.822	S	S	*	*			trans	-92	115.2	155.4	-90	-85	0	0	0	108	R545	R545-F547 PolarHBondContact O-N 3.37Å; R545-F547 VanDerWaalsContact O-N 3.16Å
548	S	32.4	Very low	32.5	Very low	109 Å²	109	172.7 Å²	172.7	76%	0.762	85%	0.847	S	S	*	*			trans	-62.4	141.2	172	-173.1	0	0	0	0	109.7	H550	S548-H550 PolarHBondContact O-N 3.45Å
549	K	29.3	Very low	31.7	Very low	186 Å²	186	175.9 Å²	175.9	81%	0.809	86%	0.859	S	S	*	*			trans	-46.8	131	159.6	-70.9	175.5	172.7	-178.2	0	109.7
550	H	31.3	Very low	31.2	Very low	175 Å²	175	170.6 Å²	170.6	81%	0.81	85%	0.854	S	S	*	*			trans	167.5	111.8	134.1	-90.6	-60.1	0	0	0	109	S548	S548-H550 PolarHBondContact O-N 3.45Å
551	L	36.7	Very low	31	Very low	157 Å²	157	179.6 Å²	179.6	82%	0.822	87%	0.871	S	S	*	*				156.5	108.6	124.6	-90.2	138.3	0	0	0	109.7
552	L	36.6	Very low	31.1	Very low	241 Å²	241	185.7 Å²	185.7	100%	1.262	88%	0.879	S	S	*	*			trans	45.2	0	152.6	-70.8	159.6	0	0	0	119.5

Retrieved 552 of 552 residues in 1445 ms (Link to these results)

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