A0A060CXY3_MAIZE Loading...

HB transcription factor

AlphaFold DB (K7VAE7), UniProt , Accession A0A060CXY3, Species MAIZE (Zea mays, Maize), Gene HB26, Length 202 aa.

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(Predicted Aligned Error values between residue pairs)

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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	44.5	Very low	48.7	Very low	244 Å²	244	151.6 Å²	151.6	100%	1.202	89%	0.885	S	S	*	*				0	137.7	0	-91.3	-172.4	131.4	0	0	108.6
2	A	46.7	Very low	49.3	Very low	93 Å²	93	148.8 Å²	148.8	77%	0.769	88%	0.879	S	S	*	*			trans	64	97.7	177.8	0	0	0	0	0	115.8
3	I	48	Very low	49.8	Very low	170 Å²	170	146.6 Å²	146.6	87%	0.872	87%	0.872	S	S	*	*				89.2	113.9	57.6	-61.4	169	0	0	0	113.2
4	L	40.8	Very low	49.7	Very low	176 Å²	176	144.9 Å²	144.9	92%	0.921	87%	0.866	S	S	*	*			trans	-68.4	147.3	168.8	-139.2	75.4	0	0	0	111.3
5	G	52	Low	49.5	Very low	82 Å²	82	142.2 Å²	142.2	85%	0.845	87%	0.867	S	S	*	*			trans	-161.2	115.9	172.1	0	0	0	0	0	113.7
6	A	52.4	Low	49.4	Very low	105 Å²	105	144.3 Å²	144.3	87%	0.868	87%	0.87	S	S	*	*			trans	-83.7	154.2	-167.9	0	0	0	0	0	115.2
7	L	42.8	Very low	49.1	Very low	164 Å²	164	141.9 Å²	141.9	86%	0.859	87%	0.869	S	S	*	*			trans	-79.5	129.5	175.6	-144.7	75	0	0	0	111
8	R	53.7	Low	48.9	Very low	246 Å²	246	138.2 Å²	138.2	93%	0.928	86%	0.864	S	S	*	*			trans	-135.2	125.9	162.6	-83.4	-172.1	173.6	-170.3	-1.7	109.4
9	L	46.6	Very low	49	Very low	167 Å²	167	136.7 Å²	136.7	87%	0.874	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-74.8	142.4	177.8	-80.3	108.8	0	0	0	111.9
10	A	58.7	Low	48.8	Very low	91 Å²	91	134.6 Å²	134.6	75%	0.752	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-89.6	154	178	0	0	0	0	0	112.5
11	P	49.6	Very low	48.9	Very low	130 Å²	130	133.8 Å²	133.8	84%	0.844	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-90.8	145	170.5	33.8	-30.3	0	0	0	113.1
12	S	56.2	Low	49.2	Very low	117 Å²	117	127.7 Å²	127.7	82%	0.818	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-85.2	160.8	-177	-32.9	0	0	0	0	113.8
13	P	55.5	Low	49.3	Very low	121 Å²	121	127.3 Å²	127.3	79%	0.786	83%	0.833	S	S	*	*			trans	-105.5	-177.2	-147.9	44.2	-37.7	0	0	0	115.1
14	P	48	Very low	49.4	Very low	122 Å²	122	125.8 Å²	125.8	79%	0.792	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-93.5	168.5	-152.6	37.9	-34.6	0	0	0	116.2
15	A	46.4	Very low	49.9	Very low	105 Å²	105	122.9 Å²	122.9	87%	0.868	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-76.1	143.9	-172.9	0	0	0	0	0	115.2
16	L	49	Very low	49.7	Very low	176 Å²	176	123.9 Å²	123.9	92%	0.921	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-88.4	146.4	174.9	-94.4	101.1	0	0	0	113.2
17	A	43.7	Very low	49.5	Very low	103 Å²	103	130.1 Å²	130.1	85%	0.851	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-82.8	155.4	176.2	0	0	0	0	0	113.7
18	G	46.4	Very low	49.7	Very low	76 Å²	76	128.7 Å²	128.7	78%	0.784	82%	0.819	S	S	*	*			trans	175.2	98.2	165.1	0	0	0	0	0	116.8
19	A	49.3	Very low	49.3	Very low	110 Å²	110	121.4 Å²	121.4	91%	0.909	81%	0.811	S	S	*	*			trans	62.7	120.9	142.4	0	0	0	0	0	123
20	A	45.5	Very low	49.4	Very low	93 Å²	93	120.3 Å²	120.3	77%	0.769	81%	0.811	S	S	*	*			trans	-92.8	171.8	155	0	0	0	0	0	109.7
21	P	51.8	Low	48.6	Very low	119 Å²	119	127.3 Å²	127.3	77%	0.773	82%	0.818	S	S	*	*				-157.5	-151.7	57.8	39.3	-12.7	0	0	0	114.3
22	P	50.1	Low	48.7	Very low	116 Å²	116	126.7 Å²	126.7	75%	0.753	82%	0.816	S	S	*	*				-132.5	168.1	-59.8	34.5	-16.1	0	0	0	117.2
23	A	49	Very low	48.3	Very low	85 Å²	85	125.7 Å²	125.7	70%	0.702	81%	0.809	S	S	*	*			trans	83.1	143	134.6	0	0	0	0	0	125.8
24	T	50.5	Low	48.3	Very low	137 Å²	137	126.2 Å²	126.2	84%	0.84	81%	0.81	S	S	*	*			trans	90	131.6	160.4	73.7	0	0	0	0	116.1
25	S	50.2	Low	48.2	Very low	116 Å²	116	128.8 Å²	128.8	81%	0.811	81%	0.811	S	S	*	*			cis	-164.1	176.3	16.7	-124.1	0	0	0	0	110.5
26	P	47.8	Very low	48.2	Very low	102 Å²	102	133.5 Å²	133.5	66%	0.662	81%	0.813	S	S	*	*			trans	-110.7	162.4	-140.6	41.5	-36.1	0	0	0	116.8
27	Y	48.7	Very low	48.1	Very low	237 Å²	237	136.4 Å²	136.4	93%	0.929	81%	0.811	S	S	*	*			trans	-130.7	133.6	152.4	-92.7	-88	0	0	0	110.6
28	T	46.7	Very low	48.1	Very low	134 Å²	134	139.7 Å²	139.7	82%	0.822	81%	0.814	S	S	*	*			trans	-73.6	137.9	-174.6	45.5	0	0	0	0	114.2
29	A	46.3	Very low	48.1	Very low	93 Å²	93	140.8 Å²	140.8	77%	0.769	82%	0.815	S	S	*	*			trans	-173.4	117.7	141.1	0	0	0	0	0	113.7
30	V	48.7	Very low	47.7	Very low	144 Å²	144	143.3 Å²	143.3	87%	0.873	81%	0.813	S	S	*	*			trans	73.7	115.9	141.6	-170.8	0	0	0	0	120.4
31	R	40.3	Very low	47.7	Very low	237 Å²	237	143.7 Å²	143.7	89%	0.894	82%	0.817	S	S	*	*			trans	-70.3	142.5	169.5	-74.2	172.8	165.2	-177.4	-4.9	112.3
32	S	52.2	Low	47.3	Very low	117 Å²	117	141.9 Å²	141.9	82%	0.818	82%	0.819	S	S	*	*			trans	-143	129.8	143.9	176.1	0	0	0	0	108.6
33	S	48	Very low	46.8	Very low	96 Å²	96	141.5 Å²	141.5	67%	0.671	83%	0.827	S	S	*	*			trans	-104.5	127	-172.1	-33.9	0	0	0	0	108.7
34	V	56	Low	46.5	Very low	133 Å²	133	142.2 Å²	142.2	81%	0.806	83%	0.832	S	S	*	*			trans	-135.9	110.9	160.3	-152	0	0	0	0	107.8
35	H	45.3	Very low	45.9	Very low	175 Å²	175	140.4 Å²	140.4	81%	0.81	83%	0.831	S	S	*	*			trans	-76.8	131.1	172.3	-69.1	-54.8	0	0	0	109.3
36	F	47.6	Very low	45.7	Very low	205 Å²	205	143.2 Å²	143.2	90%	0.899	84%	0.836	S	S	*	*			trans	-130	125.1	157.6	-130.2	-92.6	0	0	0	109
37	R	47.1	Very low	45.6	Very low	237 Å²	237	145 Å²	145	89%	0.894	84%	0.844	S	S	*	*			trans	-82.7	131.9	-179.5	-71.7	-166.9	167.7	-160.5	-2.1	109.6
38	L	43	Very low	45.2	Very low	171 Å²	171	137.7 Å²	137.7	90%	0.895	83%	0.833	S	S	*	*			trans	-76.6	129.5	165.1	-84.6	117.8	0	0	0	109.9
39	A	46.6	Very low	44.8	Very low	99 Å²	99	135.9 Å²	135.9	82%	0.818	83%	0.832	S	S	*	*			trans	-121.8	125.4	158.5	0	0	0	0	0	108
40	N	40.8	Very low	44.7	Very low	163 Å²	163	135.8 Å²	135.8	87%	0.872	83%	0.826	S	S	*	*			trans	-65.2	130.7	176.6	-85.8	-20.1	0	0	0	111.6
41	A	45.3	Very low	43.9	Very low	102 Å²	102	137 Å²	137	84%	0.843	83%	0.826	S	S	*	*			trans	168.1	132.5	130.2	0	0	0	0	0	110.9
42	G	43.4	Very low	44	Very low	80 Å²	80	133.9 Å²	133.9	83%	0.825	83%	0.827	S	S	*	*			trans	101.8	116.2	157.8	0	0	0	0	0	115.7
43	A	39.8	Very low	43.4	Very low	109 Å²	109	132.7 Å²	132.7	90%	0.901	82%	0.824	S	S	*	*			trans	-62.3	127.8	179.4	0	0	0	0	0	113.7
44	A	42.4	Very low	43.2	Very low	99 Å²	99	132.4 Å²	132.4	82%	0.818	83%	0.828	S	S	*	*			trans	-171.7	127.8	146.5	0	0	0	0	0	109.3
45	A	38.3	Very low	42.5	Very low	99 Å²	99	131.9 Å²	131.9	82%	0.818	82%	0.82	S	S	*	*			trans	-65.9	127.5	-178.9	0	0	0	0	0	112.1
46	L	46	Very low	42.4	Very low	176 Å²	176	130 Å²	130	92%	0.921	82%	0.823	S	S	*	*			trans	-138.6	121.3	154	-81.7	175.5	0	0	0	109.3	A48	L46-A48 PolarHBondContact O-N 3.45Å
47	V	44.6	Very low	42.2	Very low	138 Å²	138	123.9 Å²	123.9	84%	0.836	81%	0.811	S	S	*	*			trans	-55.7	117.7	-178.5	175.4	0	0	0	0	109.6	A49	V47-A49 PolarHBondContact O-N 2.93Å
48	A	41.9	Very low	42	Very low	84 Å²	84	119 Å²	119	69%	0.694	81%	0.807	S	S	*	*			trans	-68.7	96.3	165.8	0	0	0	0	0	108.3	L46 S50	L46-A48 PolarHBondContact O-N 3.45Å; A48-S50 PolarHBondContact O-N 2.99Å; A48-S50 PolarHBondContact O-OG 3.31Å
49	A	38	Very low	41.7	Very low	96 Å²	96	114.7 Å²	114.7	79%	0.793	80%	0.796	S	S	*	*			trans	-72.8	71.5	165.3	0	0	0	0	0	108.8	V47	V47-A49 PolarHBondContact O-N 2.93Å
50	S	44	Very low	41.2	Very low	92 Å²	92	116 Å²	116	64%	0.643	78%	0.784	S	S	*	*			trans	-92.9	104.8	174.3	31.9	0	0	0	0	109.5	A48 L52	A48-S50 PolarHBondContact O-N 2.99Å; A48-S50 PolarHBondContact O-OG 3.31Å; S50-L52 PolarHBondContact O-N 2.99Å
51	L	31.4	Very low	41.3	Very low	168 Å²	168	115.6 Å²	115.6	88%	0.88	78%	0.78	S	S	*	*			trans	2.2	98.3	157.3	-65.9	99.6	0	0	0	115.4	A53	L51-A53 VanDerWaalsContact C-N 3.3Å; L51-A53 PolarHBondContact O-N 3.17Å
52	L	42.7	Very low	41.1	Very low	173 Å²	173	112.1 Å²	112.1	91%	0.906	75%	0.754	S	S	*	*			trans	-78.2	93.3	151.9	-78.3	156	0	0	0	106.3	S50 A54	S50-L52 PolarHBondContact O-N 2.99Å; L52-A54 VanDerWaalsContact C-N 3.28Å; L52-A54 PolarHBondContact O-N 2.93Å
53	A	39.5	Very low	41.6	Very low	91 Å²	91	108.3 Å²	108.3	75%	0.752	72%	0.715	S	S	*	*			trans	-52.8	103	154.4	0	0	0	0	0	106.3	L51 D55	L51-A53 VanDerWaalsContact C-N 3.3Å; L51-A53 PolarHBondContact O-N 3.17Å; A53-D55 PolarHBondContact O-N 3.27Å
54	A	43	Very low	42.5	Very low	91 Å²	91	103.5 Å²	103.5	75%	0.752	68%	0.675	S	S	*	*			trans	-61.9	106.7	169.3	0	0	0	0	0	106.1	L52 P56	L52-A54 VanDerWaalsContact C-N 3.28Å; L52-A54 PolarHBondContact O-N 2.93Å; A54-P56 VanDerWaalsContact O-CD 3.3Å; A54-P56 WeakPolarHBondContact O-CD 3.3Å; A54-P56 VanDerWaalsContact O-N 3.16Å
55	D	41.4	Very low	43.8	Very low	121 Å²	121	103.1 Å²	103.1	65%	0.647	66%	0.664	S	S	*	*			trans	-57.5	113.6	173.8	-160.8	-18.5	0	0	0	108	A53 A57	A53-D55 PolarHBondContact O-N 3.27Å; D55-A57 PolarHBondContact O-N 2.77Å
56	P	44.5	Very low	45.5	Very low	136 Å²	136	101.8 Å²	101.8	88%	0.883	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	13.5	-174.2	31.9	-33.3	0	0	0	112.6	A54	A54-P56 VanDerWaalsContact O-CD 3.3Å; A54-P56 WeakPolarHBondContact O-CD 3.3Å; A54-P56 VanDerWaalsContact O-N 3.16Å
57	A	42.2	Very low	46.7	Very low	77 Å²	77	95.3 Å²	95.3	64%	0.636	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.1	19.9	-174.1	0	0	0	0	0	114.1	D55 A59	D55-A57 PolarHBondContact O-N 2.77Å; A57-A59 VanDerWaalsContact C-N 3.3Å; A57-A59 PolarHBondContact O-N 3Å
58	V	43.1	Very low	47.9	Very low	134 Å²	134	92.8 Å²	92.8	81%	0.812	59%	0.592	S	S	*	*	S	Bend	trans	-64.3	96.1	171.3	-176.6	0	0	0	0	109.4	F60	V58-F60 PolarHBondContact O-N 3.2Å
59	A	36.1	Very low	49.1	Very low	81 Å²	81	96.4 Å²	96.4	67%	0.669	60%	0.595	S	S	*	*			trans	-7.7	97.9	172	0	0	0	0	0	115.4	A57 I61	A57-A59 VanDerWaalsContact C-N 3.3Å; A57-A59 PolarHBondContact O-N 3Å; A59-I61 PolarHBondContact O-N 3.09Å; A59-I61 VanDerWaalsContact O-N 3.1Å
60	F	36.9	Very low	51.1	Low	127 Å²	127	95.9 Å²	95.9	56%	0.557	58%	0.582	S	S	*	*			trans	-53.6	99	168.4	-176.5	-91.8	0	0	0	111.8	V58 G62 G63 G64	V58-F60 PolarHBondContact O-N 3.2Å; F60-G62 VanDerWaalsContact C-N 3.27Å; F60-G62 PolarHBondContact O-N 2.79Å; F60-G63 VanDerWaalsContact CE1-N 3.34Å; F60-G64 WeakPolarHBondContact CD2-O 3.42Å; F60-G64 VanDerWaalsContact CE2-CA 3.45Å; F60-G64 VanDerWaalsContact CE2-O 3.25Å; F60-G64 WeakPolarHBondContact CE2-O 3.25Å; F60-G64 VanDerWaalsContact CZ-N 3.31Å
61	I	42.6	Very low	53.1	Low	154 Å²	154	91.5 Å²	91.5	79%	0.79	55%	0.551	S	S	*	*			trans	-93	69.7	163	-53.7	179.1	0	0	0	107.6	A59 K68	A59-I61 PolarHBondContact O-N 3.09Å; A59-I61 VanDerWaalsContact O-N 3.1Å; I61-K68 WeakPolarHBondContact O-CE 3.37Å
62	G	41.3	Very low	56	Low	29 Å²	29	89.2 Å²	89.2	30%	0.299	53%	0.531	S	S	.	.	S	Bend	trans	75.7	106.1	165.7	0	0	0	0	0	116.8	F60 K68	F60-G62 VanDerWaalsContact C-N 3.27Å; F60-G62 PolarHBondContact O-N 2.79Å; G62-K68 WeakPolarHBondContact O-CE 3.41Å
63	G	53.2	Low	58.5	Low	0 Å²	0	83 Å²	83	0%	0	51%	0.508	C	S	.	.	S	Bend	trans	143.6	-17.9	141.6	0	0	0	0	0	119.6	F60 L86 I87 K88 Q89	F60-G63 VanDerWaalsContact CE1-N 3.34Å; G63-L86 CarbonylContact O-C 3.57Å; G63-I87 CarbonylContact C-O 3.25Å; G63-I87 VanDerWaalsContact CA-O 3.29Å; G63-I87 WeakPolarHBondContact CA-O 3.25Å; G63-I87 CarbonylContact O-C 3.19Å; G63-K88 WeakPolarHBondContact CA-O 2.85Å; G63-K88 CarbonylContact O-C 3.34Å; G63-K88 PolarHBondContact O-N 2.83Å; G63-Q89 WeakPolarHBondContact O-CA 3.14Å; G63-Q89 WeakPolarHBondContact O-CB 3.44Å; G63-Q89 PolarHBondContact O-N 3.32Å; G63-Q89 PolarHBondContact O-OE1 2.64Å
64	G	59.7	Low	61.2	Low	7 Å²	7	82.9 Å²	82.9	7%	0.072	49%	0.492	C	S	.	.	S	Bend	trans	155.7	-178.1	179.9	0	0	0	0	0	108.7	F60 Y66	F60-G64 WeakPolarHBondContact CD2-O 3.42Å; F60-G64 VanDerWaalsContact CE2-CA 3.45Å; F60-G64 VanDerWaalsContact CE2-O 3.25Å; F60-G64 WeakPolarHBondContact CE2-O 3.25Å; F60-G64 VanDerWaalsContact CZ-N 3.31Å; G64-Y66 PolarHBondContact O-N 3.1Å; G64-Y66 VanDerWaalsContact O-N 3.09Å
65	P	69.8	Low	63.8	Low	91 Å²	91	83.6 Å²	83.6	59%	0.591	48%	0.484	S	S	*	.	S	Bend	trans	-62.1	-19.3	-176.8	26.6	-36	0	0	0	112.2	T85 L86	P65-T85 WeakPolarHBondContact CD-O 3.42Å; P65-T85 WeakPolarHBondContact CG-O 2.89Å; P65-L86 HydrophobicContact CG-CD2 4.21Å
66	Y	72.8	Confident	66.4	Low	71 Å²	71	78.8 Å²	78.8	28%	0.278	46%	0.458	S	S	.	.	S	Bend	trans	-94.1	127.2	178.5	-54	-61.3	0	0	0	110.4	G64 K68 V70 T71 F81 Q84 L86 Q89	G64-Y66 PolarHBondContact O-N 3.1Å; G64-Y66 VanDerWaalsContact O-N 3.09Å; Y66-K68 PolarHBondContact O-N 3.22Å; Y66-V70 HydrophobicContact CD1-CG1 4.39Å; Y66-T71 HydrophobicContact CD2-CG2 4.26Å; Y66-T71 HydrophobicContact CG-CG2 4.34Å; Y66-F81 HydrophobicContact CD2-CE1 4.34Å; Y66-F81 AromaticContact CE2-CD1 3.91Å; Y66-F81 HydrophobicContact CE2-CD1 3.91Å; Y66-F81 AromaticContact CE2-CE1 3.72Å; Y66-F81 HydrophobicContact CE2-CE1 3.72Å; Y66-Q84 PolarHBondContact OH-NE2 3.12Å; Y66-Q84 PolarHBondContact OH-OE1 3.32Å; Y66-L86 HydrophobicContact CD2-CD2 3.64Å; Y66-L86 HydrophobicContact CE2-CD2 3.6Å; Y66-Q89 PolarHBondContact O-NE2 2.85Å; Y66-Q89 PolarHBondContact O-OE1 3.5Å
67	G	73.1	Confident	69	Low	40 Å²	40	75 Å²	75	41%	0.412	43%	0.432	S	S	.	.			trans	-54.8	143.2	168.3	0	0	0	0	0	110.4	Q69 V70	G67-Q69 PolarHBondContact O-N 2.65Å; G67-V70 WeakPolarHBondContact O-CB 3.24Å; G67-V70 WeakPolarHBondContact O-CG2 3.4Å; G67-V70 PolarHBondContact O-N 2.93Å
68	K	69.3	Low	71.6	Confident	85 Å²	85	73.7 Å²	73.7	37%	0.37	43%	0.426	S	S	.	.	H	α-helix	trans	-52.2	-34.5	-174.2	-65.2	-171.3	176.8	-170.6	0	113.8	I61 G62 Y66 V70 T71 R72 D90	I61-K68 WeakPolarHBondContact O-CE 3.37Å; G62-K68 WeakPolarHBondContact O-CE 3.41Å; Y66-K68 PolarHBondContact O-N 3.22Å; K68-V70 PolarHBondContact O-N 3.17Å; K68-T71 PolarHBondContact O-N 2.93Å; K68-R72 WeakPolarHBondContact O-CB 3.25Å; K68-R72 PolarHBondContact O-N 2.83Å; K68-D90 HydrophobicContact CB-CB 4.17Å; K68-D90 HydrophobicContact CD-CB 4.1Å; K68-D90 HydrophobicContact CG-CB 3.91Å
69	Q	67.7	Low	74.2	Confident	160 Å²	160	72.6 Å²	72.6	75%	0.748	41%	0.41	S	S	*	.	H	α-helix	trans	-64.9	-19.7	178.4	-62.1	84.3	-5.4	0	0	113.4	G67	G67-Q69 PolarHBondContact O-N 2.65Å
70	V	79.5	Confident	77.1	Confident	85 Å²	85	73.3 Å²	73.3	52%	0.515	40%	0.403	S	S	.	.	H	α-helix	trans	-79.6	-30.4	-178.9	-178.6	0	0	0	0	111.5	Y66 G67 K68 Q74	Y66-V70 HydrophobicContact CD1-CG1 4.39Å; G67-V70 WeakPolarHBondContact O-CB 3.24Å; G67-V70 WeakPolarHBondContact O-CG2 3.4Å; G67-V70 PolarHBondContact O-N 2.93Å; K68-V70 PolarHBondContact O-N 3.17Å; V70-Q74 WeakPolarHBondContact O-CG 3.19Å
71	T	85.8	Confident	79.9	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.006	38%	0.379	C	S	.	.	H	α-helix	trans	-110.1	-37.2	-173.5	50.2	0	0	0	0	113.2	Y66 K68 L76 Q89 D90 F91 S94	Y66-T71 HydrophobicContact CD2-CG2 4.26Å; Y66-T71 HydrophobicContact CG-CG2 4.34Å; K68-T71 PolarHBondContact O-N 2.93Å; T71-L76 HydrophobicContact CG2-CD1 4.48Å; T71-Q89 HydrophobicContact CG2-CG 4.13Å; T71-Q89 PolarHBondContact OG1-NE2 3.39Å; T71-D90 CarbonylContact C-O 3Å; T71-D90 VanDerWaalsContact CB-O 3.32Å; T71-D90 WeakPolarHBondContact CB-O 3.31Å; T71-D90 PolarHBondContact OG1-O 3.02Å; T71-F91 HydrophobicContact CG2-CD1 4.02Å; T71-F91 HydrophobicContact CG2-CE1 3.47Å; T71-F91 VanDerWaalsContact CG2-CE1 3.47Å; T71-F91 HydrophobicContact CG2-CZ 4.03Å; T71-S94 PolarHBondContact O-OG 3.17Å
72	R	92.7	Very high	82.5	Confident	120 Å²	120	62.8 Å²	62.8	45%	0.453	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	130.1	-173.4	-179.6	-179.7	178.2	154.6	-9.6	112.8	K68 Q74 D90 K92	K68-R72 WeakPolarHBondContact O-CB 3.25Å; K68-R72 PolarHBondContact O-N 2.83Å; R72-Q74 PolarHBondContact O-N 2.85Å; R72-Q74 PolarHBondContact O-NE2 3.02Å; R72-D90 WeakPolarHBondContact CA-O 3.38Å; R72-D90 WeakPolarHBondContact CD-OD2 3.44Å; R72-D90 IonicContact CZ-OD2 3.67Å; R72-D90 PolarHBondContact N-O 3.47Å; R72-D90 VanDerWaalsContact N-O 3.13Å; R72-D90 IonicContact NH1-OD2 2.7Å; R72-D90 PolarHBondContact NH1-OD2 2.98Å; R72-K92 HydrophobicContact CG-CB 4.27Å; R72-K92 WeakPolarHBondContact CG-O 3.2Å
73	G	94.3	Very high	85.1	Confident	42 Å²	42	64.2 Å²	64.2	43%	0.433	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	19.5	175.3	0	0	0	0	0	113.3	K92 S94	G73-K92 PolarHBondContact N-O 3.22Å; G73-S94 PolarHBondContact N-OG 2.97Å
74	Q	96.1	Very high	87.1	Confident	88 Å²	88	66.5 Å²	66.5	41%	0.411	38%	0.382	S	S	.	.			trans	-96.6	156.3	-178.3	-61.7	-51.5	-54.7	0	0	111.4	V70 R72 L76 S94 I95	V70-Q74 WeakPolarHBondContact O-CG 3.19Å; R72-Q74 PolarHBondContact O-N 2.85Å; R72-Q74 PolarHBondContact O-NE2 3.02Å; Q74-L76 HydrophobicContact CB-CD1 4.38Å; Q74-L76 HydrophobicContact CB-CD2 4.16Å; Q74-L76 HydrophobicContact CB-CG 3.94Å; Q74-S94 WeakPolarHBondContact O-CA 3.34Å; Q74-S94 WeakPolarHBondContact O-CB 3.34Å; Q74-I95 PolarHBondContact O-N 2.9Å
75	D	97.4	Very high	88.8	Confident	107 Å²	107	70.1 Å²	70.1	57%	0.572	40%	0.403	S	S	*	.	B	Isolated β-bridge	trans	-85.3	108.6	162.6	-171.1	-7.7	0	0	0	109.7	T77	D75-T77 VanDerWaalsContact OD1-CB 3.24Å; D75-T77 WeakPolarHBondContact OD1-CB 3.32Å; D75-T77 PolarHBondContact OD1-N 3.27Å; D75-T77 PolarHBondContact OD1-OG1 3.06Å
76	L	96.6	Very high	90	Very high	19 Å²	19	65.8 Å²	65.8	10%	0.099	38%	0.375	C	S	.	.			trans	-119.6	27.4	-178.7	-60.8	174.1	0	0	0	110.3	T71 Q74 G78 K79 F81 F91 I95 L96	T71-L76 HydrophobicContact CG2-CD1 4.48Å; Q74-L76 HydrophobicContact CB-CD1 4.38Å; Q74-L76 HydrophobicContact CB-CD2 4.16Å; Q74-L76 HydrophobicContact CB-CG 3.94Å; L76-G78 PolarHBondContact O-N 3.49Å; L76-K79 HydrophobicContact CB-CB 4.39Å; L76-K79 HydrophobicContact CB-CG 3.94Å; L76-K79 HydrophobicContact CD2-CG 4.18Å; L76-K79 WeakPolarHBondContact O-CB 3.46Å; L76-K79 VanDerWaalsContact O-CG 3.25Å; L76-K79 WeakPolarHBondContact O-CG 3.47Å; L76-K79 PolarHBondContact O-N 2.69Å; L76-K79 VanDerWaalsContact O-N 3.14Å; L76-F81 HydrophobicContact CD1-CE2 4.44Å; L76-F81 HydrophobicContact CD1-CZ 4.19Å; L76-F91 HydrophobicContact CD1-CD1 3.95Å; L76-F91 HydrophobicContact CD1-CE1 3.98Å; L76-I95 CarbonylContact C-O 3.56Å; L76-I95 VanDerWaalsContact C-O 3.29Å; L76-I95 WeakPolarHBondContact CA-O 3.39Å; L76-I95 PolarHBondContact N-O 3.48Å; L76-L96 HydrophobicContact CB-CD2 3.57Å; L76-L96 HydrophobicContact CB-CG 4.4Å; L76-L96 HydrophobicContact CD1-CD2 3.83Å; L76-L96 HydrophobicContact CG-CD2 4.37Å
77	T	98.2	Very high	91	Very high	58 Å²	58	64.9 Å²	64.9	36%	0.356	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	127.7	176.9	-61.7	0	0	0	0	110.8	D75 K79 I95 R97	D75-T77 VanDerWaalsContact OD1-CB 3.24Å; D75-T77 WeakPolarHBondContact OD1-CB 3.32Å; D75-T77 PolarHBondContact OD1-N 3.27Å; D75-T77 PolarHBondContact OD1-OG1 3.06Å; T77-K79 PolarHBondContact O-N 3.48Å; T77-I95 PolarHBondContact N-O 3.33Å; T77-I95 WeakPolarHBondContact OG1-CG2 3.48Å; T77-R97 CarbonylContact C-O 3.28Å; T77-R97 VanDerWaalsContact CA-O 3.28Å; T77-R97 WeakPolarHBondContact CA-O 3.32Å; T77-R97 HydrophobicContact CG2-CB 4.12Å; T77-R97 WeakPolarHBondContact CG2-O 3.36Å
78	G	97.6	Very high	92.1	Very high	48 Å²	48	69.5 Å²	69.5	50%	0.495	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	9.4	177.2	0	0	0	0	0	115.6	L76 R97 Q98	L76-G78 PolarHBondContact O-N 3.49Å; G78-R97 PolarHBondContact N-O 2.86Å; G78-Q98 WeakPolarHBondContact CA-O 3.31Å
79	K	97.3	Very high	93.3	Very high	111 Å²	111	65.4 Å²	65.4	48%	0.483	37%	0.365	S	S	.	.			trans	-71.4	143.1	179.8	-66.3	-62.8	-178.4	-172.7	0	111.5	L76 T77 F81 A99 N100	L76-K79 HydrophobicContact CB-CB 4.39Å; L76-K79 HydrophobicContact CB-CG 3.94Å; L76-K79 HydrophobicContact CD2-CG 4.18Å; L76-K79 WeakPolarHBondContact O-CB 3.46Å; L76-K79 VanDerWaalsContact O-CG 3.25Å; L76-K79 WeakPolarHBondContact O-CG 3.47Å; L76-K79 PolarHBondContact O-N 2.69Å; L76-K79 VanDerWaalsContact O-N 3.14Å; T77-K79 PolarHBondContact O-N 3.48Å; K79-F81 HydrophobicContact CB-CD2 4.19Å; K79-F81 HydrophobicContact CB-CE2 3.57Å; K79-F81 HydrophobicContact CB-CZ 4.04Å; K79-A99 CarbonylContact O-C 3.5Å; K79-A99 WeakPolarHBondContact O-CA 3.27Å; K79-N100 PolarHBondContact O-N 2.81Å
80	D	97.3	Very high	94.6	Very high	96 Å²	96	58.4 Å²	58.4	51%	0.513	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-97.6	114.4	178.8	-168.1	1.5	0	0	0	111.3	S82 Q84 N100	D80-S82 VanDerWaalsContact OD1-CB 3.24Å; D80-S82 WeakPolarHBondContact OD1-CB 3.39Å; D80-S82 PolarHBondContact OD1-N 2.78Å; D80-S82 PolarHBondContact OD1-OG 3.23Å; D80-Q84 PolarHBondContact O-NE2 3.06Å; D80-N100 PolarHBondContact OD1-ND2 2.87Å
81	F	96.5	Very high	95.5	Very high	13 Å²	13	54.4 Å²	54.4	6%	0.057	31%	0.309	C	S	.	.			trans	-118.3	12.7	176.1	-64.1	-70.2	0	0	0	111.9	Y66 L76 K79 G83 Q84 L86 F91 L96 N100 F101	Y66-F81 HydrophobicContact CD2-CE1 4.34Å; Y66-F81 AromaticContact CE2-CD1 3.91Å; Y66-F81 HydrophobicContact CE2-CD1 3.91Å; Y66-F81 AromaticContact CE2-CE1 3.72Å; Y66-F81 HydrophobicContact CE2-CE1 3.72Å; L76-F81 HydrophobicContact CD1-CE2 4.44Å; L76-F81 HydrophobicContact CD1-CZ 4.19Å; K79-F81 HydrophobicContact CB-CD2 4.19Å; K79-F81 HydrophobicContact CB-CE2 3.57Å; K79-F81 HydrophobicContact CB-CZ 4.04Å; F81-G83 PolarHBondContact O-N 3.25Å; F81-Q84 WeakPolarHBondContact O-CB 3.21Å; F81-Q84 WeakPolarHBondContact O-CG 2.96Å; F81-Q84 PolarHBondContact O-N 3.42Å; F81-L86 HydrophobicContact CB-CD1 3.97Å; F81-L86 HydrophobicContact CD1-CD1 4.23Å; F81-L86 HydrophobicContact CG-CD1 4.29Å; F81-F91 HydrophobicContact CE1-CE1 4.5Å; F81-F91 HydrophobicContact CE2-CE1 4.28Å; F81-F91 HydrophobicContact CZ-CE1 4.09Å; F81-L96 HydrophobicContact CE2-CD2 4.09Å; F81-N100 CarbonylContact C-O 3.51Å; F81-N100 WeakPolarHBondContact CA-O 3.17Å; F81-N100 WeakPolarHBondContact CB-O 3.39Å; F81-N100 PolarHBondContact N-O 2.99Å; F81-F101 HydrophobicContact CB-CD1 3.48Å; F81-F101 VanDerWaalsContact CB-CD1 3.48Å; F81-F101 HydrophobicContact CB-CE1 3.63Å; F81-F101 HydrophobicContact CB-CG 4.29Å; F81-F101 HydrophobicContact CD2-CD1 4.07Å; F81-F101 AromaticContact CD2-CE1 3.44Å; F81-F101 HydrophobicContact CD2-CE1 3.44Å; F81-F101 VanDerWaalsContact CD2-CE1 3.44Å; F81-F101 HydrophobicContact CD2-CE2 4.3Å; F81-F101 AromaticContact CD2-CZ 3.58Å; F81-F101 HydrophobicContact CD2-CZ 3.58Å; F81-F101 HydrophobicContact CE2-CE1 4.22Å; F81-F101 HydrophobicContact CE2-CZ 4.06Å; F81-F101 HydrophobicContact CG-CD1 4.04Å; F81-F101 AromaticContact CG-CE1 3.64Å; F81-F101 HydrophobicContact CG-CE1 3.64Å; F81-F101 HydrophobicContact CG-CZ 4.26Å
82	S	97.3	Very high	96	Very high	47 Å²	47	57.3 Å²	57.3	33%	0.329	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	137.6	-175.6	57.4	0	0	0	0	112.5	D80 Q84 N100 K102	D80-S82 VanDerWaalsContact OD1-CB 3.24Å; D80-S82 WeakPolarHBondContact OD1-CB 3.39Å; D80-S82 PolarHBondContact OD1-N 2.78Å; D80-S82 PolarHBondContact OD1-OG 3.23Å; S82-Q84 PolarHBondContact O-N 2.74Å; S82-N100 PolarHBondContact N-O 2.71Å; S82-K102 CarbonylContact C-O 3.5Å; S82-K102 VanDerWaalsContact CA-O 3.25Å; S82-K102 WeakPolarHBondContact CA-O 3.31Å; S82-K102 WeakPolarHBondContact CB-O 3.29Å
83	G	94.9	Very high	96.2	Very high	59 Å²	59	54.7 Å²	54.7	61%	0.608	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	2.7	-178.7	0	0	0	0	0	115.7	F81 K102	F81-G83 PolarHBondContact O-N 3.25Å; G83-K102 PolarHBondContact N-O 3.45Å
84	Q	95.1	Very high	96.4	Very high	48 Å²	48	52.7 Å²	52.7	22%	0.224	30%	0.298	C	S	.	.			trans	-77.8	151.3	-176.3	-63.4	-166.9	28.2	0	0	112.4	Y66 D80 F81 S82 L86 A104 N105	Y66-Q84 PolarHBondContact OH-NE2 3.12Å; Y66-Q84 PolarHBondContact OH-OE1 3.32Å; D80-Q84 PolarHBondContact O-NE2 3.06Å; F81-Q84 WeakPolarHBondContact O-CB 3.21Å; F81-Q84 WeakPolarHBondContact O-CG 2.96Å; F81-Q84 PolarHBondContact O-N 3.42Å; S82-Q84 PolarHBondContact O-N 2.74Å; Q84-L86 HydrophobicContact CB-CD1 4.33Å; Q84-L86 HydrophobicContact CB-CD2 4.35Å; Q84-L86 HydrophobicContact CB-CG 4.05Å; Q84-A104 WeakPolarHBondContact O-CA 3.21Å; Q84-N105 PolarHBondContact O-N 2.86Å
85	T	95.1	Very high	96.5	Very high	83 Å²	83	51.8 Å²	51.8	51%	0.509	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-88.4	114.2	168.9	-59.5	0	0	0	0	109.4	P65 I87	P65-T85 WeakPolarHBondContact CD-O 3.42Å; P65-T85 WeakPolarHBondContact CG-O 2.89Å; T85-I87 HydrophobicContact CG2-CD1 3.69Å; T85-I87 HydrophobicContact CG2-CG1 3.77Å
86	L	95.1	Very high	96.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.268	C	S	.	.			trans	-130.6	37.7	-173.3	-61.5	174	0	0	0	111.1	G63 P65 Y66 F81 Q84 K88 Q89 F91 F101 A104 N105 L106	G63-L86 CarbonylContact O-C 3.57Å; P65-L86 HydrophobicContact CG-CD2 4.21Å; Y66-L86 HydrophobicContact CD2-CD2 3.64Å; Y66-L86 HydrophobicContact CE2-CD2 3.6Å; F81-L86 HydrophobicContact CB-CD1 3.97Å; F81-L86 HydrophobicContact CD1-CD1 4.23Å; F81-L86 HydrophobicContact CG-CD1 4.29Å; Q84-L86 HydrophobicContact CB-CD1 4.33Å; Q84-L86 HydrophobicContact CB-CD2 4.35Å; Q84-L86 HydrophobicContact CB-CG 4.05Å; L86-K88 PolarHBondContact O-N 3.22Å; L86-K88 VanDerWaalsContact O-N 3.12Å; L86-Q89 HydrophobicContact CB-CB 4Å; L86-Q89 HydrophobicContact CD2-CG 4.44Å; L86-Q89 VanDerWaalsContact O-CB 3.27Å; L86-Q89 WeakPolarHBondContact O-CB 3.28Å; L86-Q89 PolarHBondContact O-N 2.87Å; L86-F91 HydrophobicContact CD1-CE2 4.26Å; L86-F91 HydrophobicContact CD1-CZ 4.1Å; L86-F101 HydrophobicContact CD1-CD1 3.97Å; L86-F101 HydrophobicContact CD1-CE1 3.89Å; L86-A104 HydrophobicContact CD1-CB 4.47Å; L86-N105 CarbonylContact C-O 3.51Å; L86-N105 VanDerWaalsContact C-O 3.25Å; L86-N105 VanDerWaalsContact CA-O 3.31Å; L86-N105 WeakPolarHBondContact CA-O 3.45Å; L86-N105 PolarHBondContact N-O 3.34Å; L86-L106 HydrophobicContact CB-CD2 3.64Å; L86-L106 HydrophobicContact CB-CG 4.42Å; L86-L106 HydrophobicContact CD1-CD2 3.78Å; L86-L106 HydrophobicContact CG-CD2 4.37Å
87	I	94.9	Very high	96.6	Very high	53 Å²	53	51.5 Å²	51.5	27%	0.272	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	110.1	-173.6	-62.1	171.4	0	0	0	111.2	G63 T85 N105 L107	G63-I87 CarbonylContact C-O 3.25Å; G63-I87 VanDerWaalsContact CA-O 3.29Å; G63-I87 WeakPolarHBondContact CA-O 3.25Å; G63-I87 CarbonylContact O-C 3.19Å; T85-I87 HydrophobicContact CG2-CD1 3.69Å; T85-I87 HydrophobicContact CG2-CG1 3.77Å; I87-N105 WeakPolarHBondContact CG1-OD1 3.35Å; I87-N105 PolarHBondContact N-O 3.03Å; I87-L107 CarbonylContact C-O 3.21Å; I87-L107 WeakPolarHBondContact CA-O 3.38Å; I87-L107 HydrophobicContact CG1-CB 4.31Å; I87-L107 HydrophobicContact CG2-CB 4.3Å; I87-L107 HydrophobicContact CG2-CD2 4.35Å
88	K	94.7	Very high	96.6	Very high	136 Å²	136	55 Å²	55	59%	0.591	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	23.8	-176.1	-57.5	174.2	177.8	-178.8	0	115.6	G63 L86 L107 G108	G63-K88 WeakPolarHBondContact CA-O 2.85Å; G63-K88 CarbonylContact O-C 3.34Å; G63-K88 PolarHBondContact O-N 2.83Å; L86-K88 PolarHBondContact O-N 3.22Å; L86-K88 VanDerWaalsContact O-N 3.12Å; K88-L107 PolarHBondContact N-O 2.59Å; K88-G108 WeakPolarHBondContact CA-O 3.5Å
89	Q	95.6	Very high	96.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.274	C	S	.	.			trans	-70.3	138.6	-169.2	-171.6	65.5	49.4	0	0	109.8	G63 Y66 T71 L86 F91 S110	G63-Q89 WeakPolarHBondContact O-CA 3.14Å; G63-Q89 WeakPolarHBondContact O-CB 3.44Å; G63-Q89 PolarHBondContact O-N 3.32Å; G63-Q89 PolarHBondContact O-OE1 2.64Å; Y66-Q89 PolarHBondContact O-NE2 2.85Å; Y66-Q89 PolarHBondContact O-OE1 3.5Å; T71-Q89 HydrophobicContact CG2-CG 4.13Å; T71-Q89 PolarHBondContact OG1-NE2 3.39Å; L86-Q89 HydrophobicContact CB-CB 4Å; L86-Q89 HydrophobicContact CD2-CG 4.44Å; L86-Q89 VanDerWaalsContact O-CB 3.27Å; L86-Q89 WeakPolarHBondContact O-CB 3.28Å; L86-Q89 PolarHBondContact O-N 2.87Å; Q89-F91 HydrophobicContact CB-CD2 4.03Å; Q89-F91 HydrophobicContact CB-CE2 3.58Å; Q89-F91 HydrophobicContact CB-CZ 4.29Å; Q89-F91 HydrophobicContact CG-CD2 3.92Å; Q89-F91 HydrophobicContact CG-CE1 4.33Å; Q89-F91 HydrophobicContact CG-CE2 3.37Å; Q89-F91 HydrophobicContact CG-CZ 3.6Å; Q89-F91 PolarHBondContact O-N 3.25Å; Q89-S110 PolarHBondContact O-N 2.83Å
90	D	95.6	Very high	96.7	Very high	13 Å²	13	49.6 Å²	49.6	7%	0.07	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-91.2	95	-177.3	-168.7	-12.4	0	0	0	110	K68 T71 R72 K92	K68-D90 HydrophobicContact CB-CB 4.17Å; K68-D90 HydrophobicContact CD-CB 4.1Å; K68-D90 HydrophobicContact CG-CB 3.91Å; T71-D90 CarbonylContact C-O 3Å; T71-D90 VanDerWaalsContact CB-O 3.32Å; T71-D90 WeakPolarHBondContact CB-O 3.31Å; T71-D90 PolarHBondContact OG1-O 3.02Å; R72-D90 WeakPolarHBondContact CA-O 3.38Å; R72-D90 WeakPolarHBondContact CD-OD2 3.44Å; R72-D90 IonicContact CZ-OD2 3.67Å; R72-D90 PolarHBondContact N-O 3.47Å; R72-D90 VanDerWaalsContact N-O 3.13Å; R72-D90 IonicContact NH1-OD2 2.7Å; R72-D90 PolarHBondContact NH1-OD2 2.98Å; D90-K92 WeakPolarHBondContact OD1-CB 3.32Å; D90-K92 PolarHBondContact OD1-N 2.61Å; D90-K92 VanDerWaalsContact OD1-N 3.14Å
91	F	96.6	Very high	96.8	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.			trans	-101.8	16.6	171.4	-65.8	-76.9	0	0	0	112.3	T71 L76 F81 L86 Q89 T93 S94 L96 F101 L106 S110 F111	T71-F91 HydrophobicContact CG2-CD1 4.02Å; T71-F91 HydrophobicContact CG2-CE1 3.47Å; T71-F91 VanDerWaalsContact CG2-CE1 3.47Å; T71-F91 HydrophobicContact CG2-CZ 4.03Å; L76-F91 HydrophobicContact CD1-CD1 3.95Å; L76-F91 HydrophobicContact CD1-CE1 3.98Å; F81-F91 HydrophobicContact CE1-CE1 4.5Å; F81-F91 HydrophobicContact CE2-CE1 4.28Å; F81-F91 HydrophobicContact CZ-CE1 4.09Å; L86-F91 HydrophobicContact CD1-CE2 4.26Å; L86-F91 HydrophobicContact CD1-CZ 4.1Å; Q89-F91 HydrophobicContact CB-CD2 4.03Å; Q89-F91 HydrophobicContact CB-CE2 3.58Å; Q89-F91 HydrophobicContact CB-CZ 4.29Å; Q89-F91 HydrophobicContact CG-CD2 3.92Å; Q89-F91 HydrophobicContact CG-CE1 4.33Å; Q89-F91 HydrophobicContact CG-CE2 3.37Å; Q89-F91 HydrophobicContact CG-CZ 3.6Å; Q89-F91 PolarHBondContact O-N 3.25Å; F91-T93 PolarHBondContact O-N 2.91Å; F91-S94 VanDerWaalsContact O-CB 3.22Å; F91-S94 WeakPolarHBondContact O-CB 3.37Å; F91-S94 PolarHBondContact O-N 3.22Å; F91-S94 VanDerWaalsContact O-N 3.15Å; F91-S94 PolarHBondContact O-OG 3Å; F91-L96 HydrophobicContact CB-CD1 3.88Å; F91-L96 HydrophobicContact CD1-CD1 3.92Å; F91-L96 HydrophobicContact CD1-CD2 4.23Å; F91-L96 HydrophobicContact CE1-CD2 4.42Å; F91-L96 HydrophobicContact CG-CD1 4.03Å; F91-F101 HydrophobicContact CE1-CE1 4.31Å; F91-F101 HydrophobicContact CE1-CZ 4.17Å; F91-F101 AromaticContact CE2-CE1 3.98Å; F91-F101 HydrophobicContact CE2-CE1 3.98Å; F91-F101 HydrophobicContact CE2-CZ 4.31Å; F91-F101 AromaticContact CZ-CE1 3.73Å; F91-F101 HydrophobicContact CZ-CE1 3.73Å; F91-F101 HydrophobicContact CZ-CZ 4.03Å; F91-L106 HydrophobicContact CE2-CD2 4Å; F91-S110 CarbonylContact C-O 3.55Å; F91-S110 VanDerWaalsContact C-O 3.28Å; F91-S110 VanDerWaalsContact CA-O 3.23Å; F91-S110 WeakPolarHBondContact CA-O 3.32Å; F91-S110 VanDerWaalsContact CB-O 3.31Å; F91-S110 WeakPolarHBondContact CB-O 3.15Å; F91-S110 PolarHBondContact N-O 2.9Å; F91-F111 HydrophobicContact CB-CD1 3.6Å; F91-F111 HydrophobicContact CB-CE1 3.81Å; F91-F111 HydrophobicContact CB-CG 4.45Å; F91-F111 HydrophobicContact CD2-CD1 4.07Å; F91-F111 AromaticContact CD2-CE1 3.45Å; F91-F111 HydrophobicContact CD2-CE1 3.45Å; F91-F111 VanDerWaalsContact CD2-CE1 3.45Å; F91-F111 AromaticContact CD2-CZ 3.77Å; F91-F111 HydrophobicContact CD2-CZ 3.77Å; F91-F111 HydrophobicContact CE2-CE1 4.12Å; F91-F111 HydrophobicContact CE2-CZ 4.16Å; F91-F111 HydrophobicContact CG-CD1 4.06Å; F91-F111 AromaticContact CG-CE1 3.72Å; F91-F111 HydrophobicContact CG-CE1 3.72Å; F91-F111 HydrophobicContact CG-CZ 4.48Å
92	K	96.6	Very high	96.9	Very high	63 Å²	63	49.2 Å²	49.2	27%	0.274	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	135	-178.7	173.8	162.8	179.7	151.6	0	111.4	R72 G73 D90 S94 S110 F112	R72-K92 HydrophobicContact CG-CB 4.27Å; R72-K92 WeakPolarHBondContact CG-O 3.2Å; G73-K92 PolarHBondContact N-O 3.22Å; D90-K92 WeakPolarHBondContact OD1-CB 3.32Å; D90-K92 PolarHBondContact OD1-N 2.61Å; D90-K92 VanDerWaalsContact OD1-N 3.14Å; K92-S94 PolarHBondContact O-N 3.47Å; K92-S94 VanDerWaalsContact O-N 3.12Å; K92-S94 PolarHBondContact O-OG 3.18Å; K92-S110 PolarHBondContact N-O 3.22Å; K92-F112 CarbonylContact C-O 3.22Å; K92-F112 WeakPolarHBondContact CA-O 3.28Å; K92-F112 HydrophobicContact CB-CB 4.43Å; K92-F112 HydrophobicContact CD-CB 4.2Å; K92-F112 HydrophobicContact CD-CD1 3.9Å; K92-F112 HydrophobicContact CD-CG 4.33Å; K92-F112 VanDerWaalsContact CE-CD1 3.41Å; K92-F112 HydrophobicContact CG-CB 4.13Å; K92-F112 HydrophobicContact CG-CD1 4.03Å
93	T	97.2	Very high	97	Very high	64 Å²	64	48.8 Å²	48.8	39%	0.393	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	18.2	177.3	58.4	0	0	0	0	115.5	F91 F112 D113	F91-T93 PolarHBondContact O-N 2.91Å; T93-F112 PolarHBondContact N-O 2.88Å; T93-D113 WeakPolarHBondContact CA-O 3.25Å; T93-D113 HydrophobicContact CG2-CB 4.11Å
94	S	97.9	Very high	97.1	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.007	23%	0.231	C	C	.	.			trans	-88.2	152.8	-176.2	-44.1	0	0	0	0	111.5	T71 G73 Q74 F91 K92 A114 D115	T71-S94 PolarHBondContact O-OG 3.17Å; G73-S94 PolarHBondContact N-OG 2.97Å; Q74-S94 WeakPolarHBondContact O-CA 3.34Å; Q74-S94 WeakPolarHBondContact O-CB 3.34Å; F91-S94 VanDerWaalsContact O-CB 3.22Å; F91-S94 WeakPolarHBondContact O-CB 3.37Å; F91-S94 PolarHBondContact O-N 3.22Å; F91-S94 VanDerWaalsContact O-N 3.15Å; F91-S94 PolarHBondContact O-OG 3Å; K92-S94 PolarHBondContact O-N 3.47Å; K92-S94 VanDerWaalsContact O-N 3.12Å; K92-S94 PolarHBondContact O-OG 3.18Å; S94-A114 WeakPolarHBondContact O-CA 3.24Å; S94-D115 PolarHBondContact O-N 3.32Å
95	I	98.5	Very high	97.2	Very high	69 Å²	69	46 Å²	46	35%	0.354	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-93.4	110.2	171.4	-54.7	172.4	0	0	0	107.3	Q74 L76 T77 R97	Q74-I95 PolarHBondContact O-N 2.9Å; L76-I95 CarbonylContact C-O 3.56Å; L76-I95 VanDerWaalsContact C-O 3.29Å; L76-I95 WeakPolarHBondContact CA-O 3.39Å; L76-I95 PolarHBondContact N-O 3.48Å; T77-I95 PolarHBondContact N-O 3.33Å; T77-I95 WeakPolarHBondContact OG1-CG2 3.48Å; I95-R97 HydrophobicContact CG2-CB 4.49Å; I95-R97 HydrophobicContact CG2-CG 3.87Å
96	L	98.4	Very high	97.3	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.208	C	C	.	.			trans	-120.3	28.8	-175.8	-75.7	164.3	0	0	0	111.5	L76 F81 F91 Q98 A99 F101 F111 A114 D115 L116	L76-L96 HydrophobicContact CB-CD2 3.57Å; L76-L96 HydrophobicContact CB-CG 4.4Å; L76-L96 HydrophobicContact CD1-CD2 3.83Å; L76-L96 HydrophobicContact CG-CD2 4.37Å; F81-L96 HydrophobicContact CE2-CD2 4.09Å; F91-L96 HydrophobicContact CB-CD1 3.88Å; F91-L96 HydrophobicContact CD1-CD1 3.92Å; F91-L96 HydrophobicContact CD1-CD2 4.23Å; F91-L96 HydrophobicContact CE1-CD2 4.42Å; F91-L96 HydrophobicContact CG-CD1 4.03Å; L96-Q98 PolarHBondContact O-N 3.29Å; L96-A99 HydrophobicContact CB-CB 4.11Å; L96-A99 HydrophobicContact CD2-CB 3.87Å; L96-A99 VanDerWaalsContact O-CB 3.23Å; L96-A99 WeakPolarHBondContact O-CB 3.25Å; L96-A99 PolarHBondContact O-N 2.92Å; L96-F101 HydrophobicContact CB-CE2 4.46Å; L96-F101 HydrophobicContact CD1-CE2 4.15Å; L96-F101 HydrophobicContact CD1-CZ 4.04Å; L96-F101 HydrophobicContact CD2-CE2 3.86Å; L96-F101 HydrophobicContact CD2-CZ 3.65Å; L96-F101 HydrophobicContact CG-CE2 4.41Å; L96-F101 HydrophobicContact CG-CZ 4.43Å; L96-F111 HydrophobicContact CD1-CD1 3.69Å; L96-F111 HydrophobicContact CD1-CE1 3.63Å; L96-A114 HydrophobicContact CD1-CB 4.48Å; L96-D115 CarbonylContact C-O 3.52Å; L96-D115 VanDerWaalsContact CA-O 3.26Å; L96-D115 WeakPolarHBondContact CA-O 3.15Å; L96-D115 PolarHBondContact N-O 3.28Å; L96-L116 HydrophobicContact CB-CD2 3.7Å; L96-L116 HydrophobicContact CB-CG 4.34Å; L96-L116 HydrophobicContact CD1-CD2 3.85Å; L96-L116 HydrophobicContact CD1-CG 4.49Å; L96-L116 HydrophobicContact CG-CD2 4.43Å
97	R	98.7	Very high	97.5	Very high	120 Å²	120	45 Å²	45	45%	0.453	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	130.2	179.9	-63.7	-178.4	174.1	179.8	1.7	109.6	T77 G78 I95 A99 D115 T117	T77-R97 CarbonylContact C-O 3.28Å; T77-R97 VanDerWaalsContact CA-O 3.28Å; T77-R97 WeakPolarHBondContact CA-O 3.32Å; T77-R97 HydrophobicContact CG2-CB 4.12Å; T77-R97 WeakPolarHBondContact CG2-O 3.36Å; G78-R97 PolarHBondContact N-O 2.86Å; I95-R97 HydrophobicContact CG2-CB 4.49Å; I95-R97 HydrophobicContact CG2-CG 3.87Å; R97-A99 PolarHBondContact O-N 2.97Å; R97-D115 IonicContact CZ-OD2 3.06Å; R97-D115 PolarHBondContact N-O 2.68Å; R97-D115 IonicContact NE-OD1 3.94Å; R97-D115 IonicContact NE-OD2 2.85Å; R97-D115 PolarHBondContact NE-OD2 3.14Å; R97-D115 IonicContact NH2-OD2 2.7Å; R97-D115 PolarHBondContact NH2-OD2 3.23Å; R97-T117 CarbonylContact C-O 3.53Å; R97-T117 VanDerWaalsContact CA-O 3.24Å; R97-T117 WeakPolarHBondContact CA-O 3.32Å
98	Q	98.5	Very high	97.5	Very high	131 Å²	131	43.8 Å²	43.8	61%	0.612	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	15.6	-179.7	-54.9	163.7	61.4	0	0	114.4	G78 L96 T117 S118	G78-Q98 WeakPolarHBondContact CA-O 3.31Å; L96-Q98 PolarHBondContact O-N 3.29Å; Q98-T117 PolarHBondContact N-O 2.63Å; Q98-S118 WeakPolarHBondContact CA-O 3.37Å
99	A	98.5	Very high	97.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.196	C	C	.	.			trans	-66.2	144.9	173.3	0	0	0	0	0	109.8	K79 L96 R97 F101 A119 D120	K79-A99 CarbonylContact O-C 3.5Å; K79-A99 WeakPolarHBondContact O-CA 3.27Å; L96-A99 HydrophobicContact CB-CB 4.11Å; L96-A99 HydrophobicContact CD2-CB 3.87Å; L96-A99 VanDerWaalsContact O-CB 3.23Å; L96-A99 WeakPolarHBondContact O-CB 3.25Å; L96-A99 PolarHBondContact O-N 2.92Å; R97-A99 PolarHBondContact O-N 2.97Å; A99-F101 HydrophobicContact CB-CD2 4.18Å; A99-F101 HydrophobicContact CB-CE2 3.72Å; A99-F101 HydrophobicContact CB-CZ 4.47Å; A99-A119 CarbonylContact O-C 3.28Å; A99-A119 VanDerWaalsContact O-CA 3.32Å; A99-A119 WeakPolarHBondContact O-CA 3.43Å; A99-D120 PolarHBondContact O-N 3.3Å
100	N	98.6	Very high	97.7	Very high	45 Å²	45	38.6 Å²	38.6	24%	0.241	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-102.8	108.9	179.3	-179.5	10	0	0	0	109.7	K79 D80 F81 S82 K102	K79-N100 PolarHBondContact O-N 2.81Å; D80-N100 PolarHBondContact OD1-ND2 2.87Å; F81-N100 CarbonylContact C-O 3.51Å; F81-N100 WeakPolarHBondContact CA-O 3.17Å; F81-N100 WeakPolarHBondContact CB-O 3.39Å; F81-N100 PolarHBondContact N-O 2.99Å; S82-N100 PolarHBondContact N-O 2.71Å; N100-K102 WeakPolarHBondContact OD1-CB 3.37Å; N100-K102 PolarHBondContact OD1-N 3.27Å
101	F	98.5	Very high	97.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.			trans	-110.9	18.3	173.2	-68.7	-78.2	0	0	0	112	F81 L86 F91 L96 A99 G103 A104 L106 F111 L116 D120 L121	F81-F101 HydrophobicContact CB-CD1 3.48Å; F81-F101 VanDerWaalsContact CB-CD1 3.48Å; F81-F101 HydrophobicContact CB-CE1 3.63Å; F81-F101 HydrophobicContact CB-CG 4.29Å; F81-F101 HydrophobicContact CD2-CD1 4.07Å; F81-F101 AromaticContact CD2-CE1 3.44Å; F81-F101 HydrophobicContact CD2-CE1 3.44Å; F81-F101 VanDerWaalsContact CD2-CE1 3.44Å; F81-F101 HydrophobicContact CD2-CE2 4.3Å; F81-F101 AromaticContact CD2-CZ 3.58Å; F81-F101 HydrophobicContact CD2-CZ 3.58Å; F81-F101 HydrophobicContact CE2-CE1 4.22Å; F81-F101 HydrophobicContact CE2-CZ 4.06Å; F81-F101 HydrophobicContact CG-CD1 4.04Å; F81-F101 AromaticContact CG-CE1 3.64Å; F81-F101 HydrophobicContact CG-CE1 3.64Å; F81-F101 HydrophobicContact CG-CZ 4.26Å; L86-F101 HydrophobicContact CD1-CD1 3.97Å; L86-F101 HydrophobicContact CD1-CE1 3.89Å; F91-F101 HydrophobicContact CE1-CE1 4.31Å; F91-F101 HydrophobicContact CE1-CZ 4.17Å; F91-F101 AromaticContact CE2-CE1 3.98Å; F91-F101 HydrophobicContact CE2-CE1 3.98Å; F91-F101 HydrophobicContact CE2-CZ 4.31Å; F91-F101 AromaticContact CZ-CE1 3.73Å; F91-F101 HydrophobicContact CZ-CE1 3.73Å; F91-F101 HydrophobicContact CZ-CZ 4.03Å; L96-F101 HydrophobicContact CB-CE2 4.46Å; L96-F101 HydrophobicContact CD1-CE2 4.15Å; L96-F101 HydrophobicContact CD1-CZ 4.04Å; L96-F101 HydrophobicContact CD2-CE2 3.86Å; L96-F101 HydrophobicContact CD2-CZ 3.65Å; L96-F101 HydrophobicContact CG-CE2 4.41Å; L96-F101 HydrophobicContact CG-CZ 4.43Å; A99-F101 HydrophobicContact CB-CD2 4.18Å; A99-F101 HydrophobicContact CB-CE2 3.72Å; A99-F101 HydrophobicContact CB-CZ 4.47Å; F101-G103 PolarHBondContact O-N 3.21Å; F101-A104 HydrophobicContact CB-CB 4.26Å; F101-A104 HydrophobicContact CD1-CB 4.47Å; F101-A104 WeakPolarHBondContact O-CB 3.42Å; F101-A104 PolarHBondContact O-N 3.09Å; F101-L106 HydrophobicContact CB-CD1 4.08Å; F101-L106 HydrophobicContact CD1-CD1 3.91Å; F101-L106 HydrophobicContact CD1-CD2 4.26Å; F101-L106 HydrophobicContact CE1-CD2 4.33Å; F101-L106 HydrophobicContact CG-CD1 4.14Å; F101-F111 HydrophobicContact CE1-CE1 4.43Å; F101-F111 HydrophobicContact CE1-CZ 4.33Å; F101-F111 HydrophobicContact CE2-CE1 4.16Å; F101-F111 HydrophobicContact CE2-CZ 4.5Å; F101-F111 AromaticContact CZ-CE1 3.88Å; F101-F111 HydrophobicContact CZ-CE1 3.88Å; F101-F111 HydrophobicContact CZ-CZ 4.19Å; F101-L116 HydrophobicContact CD2-CD2 4.46Å; F101-L116 HydrophobicContact CE2-CD2 3.98Å; F101-D120 CarbonylContact C-O 3.51Å; F101-D120 VanDerWaalsContact CA-O 3.24Å; F101-D120 WeakPolarHBondContact CA-O 3.2Å; F101-D120 WeakPolarHBondContact CB-O 3.29Å; F101-D120 PolarHBondContact N-O 2.92Å; F101-L121 HydrophobicContact CB-CD2 3.52Å; F101-L121 HydrophobicContact CB-CG 4.24Å; F101-L121 HydrophobicContact CD2-CD2 3.92Å; F101-L121 HydrophobicContact CD2-CG 4.44Å; F101-L121 HydrophobicContact CG-CD2 3.89Å
102	K	98.7	Very high	97.9	Very high	101 Å²	101	40.7 Å²	40.7	44%	0.439	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	124	-177.2	177.8	171.5	-177.2	169.7	0	111.7	S82 G83 N100 A104 D120 S122	S82-K102 CarbonylContact C-O 3.5Å; S82-K102 VanDerWaalsContact CA-O 3.25Å; S82-K102 WeakPolarHBondContact CA-O 3.31Å; S82-K102 WeakPolarHBondContact CB-O 3.29Å; G83-K102 PolarHBondContact N-O 3.45Å; N100-K102 WeakPolarHBondContact OD1-CB 3.37Å; N100-K102 PolarHBondContact OD1-N 3.27Å; K102-A104 PolarHBondContact O-N 2.86Å; K102-A104 VanDerWaalsContact O-N 3.17Å; K102-D120 PolarHBondContact N-O 3.09Å; K102-S122 CarbonylContact C-O 3.57Å; K102-S122 VanDerWaalsContact CA-O 3.28Å; K102-S122 WeakPolarHBondContact CA-O 3.07Å; K102-S122 WeakPolarHBondContact CG-OG 3.35Å
103	G	98.3	Very high	98	Very high	39 Å²	39	41.6 Å²	41.6	40%	0.402	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	15.1	-179.5	0	0	0	0	0	114.9	F101 S122	F101-G103 PolarHBondContact O-N 3.21Å; G103-S122 PolarHBondContact N-O 2.85Å
104	A	98	Very high	98.1	Very high	2 Å²	2	38.7 Å²	38.7	2%	0.017	20%	0.204	C	C	.	.			trans	-72.4	147	177.8	0	0	0	0	0	111.1	Q84 L86 F101 K102 L106 A124 D125	Q84-A104 WeakPolarHBondContact O-CA 3.21Å; L86-A104 HydrophobicContact CD1-CB 4.47Å; F101-A104 HydrophobicContact CB-CB 4.26Å; F101-A104 HydrophobicContact CD1-CB 4.47Å; F101-A104 WeakPolarHBondContact O-CB 3.42Å; F101-A104 PolarHBondContact O-N 3.09Å; K102-A104 PolarHBondContact O-N 2.86Å; K102-A104 VanDerWaalsContact O-N 3.17Å; A104-L106 HydrophobicContact CB-CD1 4.23Å; A104-L106 HydrophobicContact CB-CG 4.2Å; A104-L106 PolarHBondContact O-N 3.36Å; A104-A124 WeakPolarHBondContact O-CA 3.13Å; A104-D125 PolarHBondContact O-N 3.19Å
105	N	97.6	Very high	98.1	Very high	45 Å²	45	39.8 Å²	39.8	24%	0.241	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-91.2	100.3	170.4	-179.7	-9.1	0	0	0	109.5	Q84 L86 I87 L107	Q84-N105 PolarHBondContact O-N 2.86Å; L86-N105 CarbonylContact C-O 3.51Å; L86-N105 VanDerWaalsContact C-O 3.25Å; L86-N105 VanDerWaalsContact CA-O 3.31Å; L86-N105 WeakPolarHBondContact CA-O 3.45Å; L86-N105 PolarHBondContact N-O 3.34Å; I87-N105 WeakPolarHBondContact CG1-OD1 3.35Å; I87-N105 PolarHBondContact N-O 3.03Å; N105-L107 WeakPolarHBondContact OD1-CB 3.26Å; N105-L107 PolarHBondContact OD1-N 2.85Å
106	L	97.5	Very high	98.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.193	C	C	.	.			trans	-109	24.9	-177.1	-72.5	161.5	0	0	0	111.9	L86 F91 F101 A104 G108 A109 F111 L121 A124 D125 L126	L86-L106 HydrophobicContact CB-CD2 3.64Å; L86-L106 HydrophobicContact CB-CG 4.42Å; L86-L106 HydrophobicContact CD1-CD2 3.78Å; L86-L106 HydrophobicContact CG-CD2 4.37Å; F91-L106 HydrophobicContact CE2-CD2 4Å; F101-L106 HydrophobicContact CB-CD1 4.08Å; F101-L106 HydrophobicContact CD1-CD1 3.91Å; F101-L106 HydrophobicContact CD1-CD2 4.26Å; F101-L106 HydrophobicContact CE1-CD2 4.33Å; F101-L106 HydrophobicContact CG-CD1 4.14Å; A104-L106 HydrophobicContact CB-CD1 4.23Å; A104-L106 HydrophobicContact CB-CG 4.2Å; A104-L106 PolarHBondContact O-N 3.36Å; L106-G108 PolarHBondContact O-N 3.13Å; L106-A109 HydrophobicContact CB-CB 4.02Å; L106-A109 HydrophobicContact CD2-CB 3.83Å; L106-A109 WeakPolarHBondContact O-CB 3.32Å; L106-A109 PolarHBondContact O-N 3Å; L106-F111 HydrophobicContact CD1-CE2 4.07Å; L106-F111 HydrophobicContact CD1-CZ 3.89Å; L106-F111 HydrophobicContact CD2-CE2 3.98Å; L106-F111 HydrophobicContact CD2-CZ 3.65Å; L106-F111 HydrophobicContact CG-CE2 4.45Å; L106-F111 HydrophobicContact CG-CZ 4.36Å; L106-L121 HydrophobicContact CD1-CD2 3.74Å; L106-A124 HydrophobicContact CD1-CB 4.41Å; L106-D125 CarbonylContact C-O 2.92Å; L106-D125 WeakPolarHBondContact CA-O 3.23Å; L106-D125 VanDerWaalsContact CB-O 3.32Å; L106-D125 WeakPolarHBondContact CB-O 3.44Å; L106-D125 PolarHBondContact N-O 2.78Å; L106-L126 HydrophobicContact CB-CD2 3.76Å; L106-L126 HydrophobicContact CD1-CD2 3.7Å; L106-L126 HydrophobicContact CG-CD2 4.37Å
107	L	97.4	Very high	98.1	Very high	62 Å²	62	38 Å²	38	33%	0.325	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	114.5	179.4	177.8	72	0	0	0	110.9	I87 K88 N105 A109 D125 R127	I87-L107 CarbonylContact C-O 3.21Å; I87-L107 WeakPolarHBondContact CA-O 3.38Å; I87-L107 HydrophobicContact CG1-CB 4.31Å; I87-L107 HydrophobicContact CG2-CB 4.3Å; I87-L107 HydrophobicContact CG2-CD2 4.35Å; K88-L107 PolarHBondContact N-O 2.59Å; N105-L107 WeakPolarHBondContact OD1-CB 3.26Å; N105-L107 PolarHBondContact OD1-N 2.85Å; L107-A109 VanDerWaalsContact C-N 3.27Å; L107-A109 PolarHBondContact O-N 2.77Å; L107-D125 PolarHBondContact N-O 2.75Å; L107-R127 HydrophobicContact CD1-CB 3.64Å; L107-R127 WeakPolarHBondContact CD1-O 3.18Å
108	G	96.8	Very high	98.1	Very high	29 Å²	29	34.8 Å²	34.8	30%	0.299	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	14.2	-179.3	0	0	0	0	0	116	K88 L106 R127	K88-G108 WeakPolarHBondContact CA-O 3.5Å; L106-G108 PolarHBondContact O-N 3.13Å; G108-R127 PolarHBondContact N-O 3.28Å
109	A	97.5	Very high	98.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.169	C	C	.	.			trans	-62.6	151	176.7	0	0	0	0	0	111.8	L106 L107 F111 A129 D130	L106-A109 HydrophobicContact CB-CB 4.02Å; L106-A109 HydrophobicContact CD2-CB 3.83Å; L106-A109 WeakPolarHBondContact O-CB 3.32Å; L106-A109 PolarHBondContact O-N 3Å; L107-A109 VanDerWaalsContact C-N 3.27Å; L107-A109 PolarHBondContact O-N 2.77Å; A109-F111 HydrophobicContact CB-CD2 4.48Å; A109-F111 HydrophobicContact CB-CE2 3.99Å; A109-A129 CarbonylContact O-C 3.59Å; A109-A129 VanDerWaalsContact O-CA 3.24Å; A109-A129 WeakPolarHBondContact O-CA 3.29Å; A109-A129 WeakPolarHBondContact O-CB 3.28Å; A109-D130 PolarHBondContact O-N 2.81Å
110	S	97	Very high	98.1	Very high	27 Å²	27	30.7 Å²	30.7	19%	0.189	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-107	115.6	176.4	-174.4	0	0	0	0	110.2	Q89 F91 K92	Q89-S110 PolarHBondContact O-N 2.83Å; F91-S110 CarbonylContact C-O 3.55Å; F91-S110 VanDerWaalsContact C-O 3.28Å; F91-S110 VanDerWaalsContact CA-O 3.23Å; F91-S110 WeakPolarHBondContact CA-O 3.32Å; F91-S110 VanDerWaalsContact CB-O 3.31Å; F91-S110 WeakPolarHBondContact CB-O 3.15Å; F91-S110 PolarHBondContact N-O 2.9Å; K92-S110 PolarHBondContact N-O 3.22Å
111	F	98.1	Very high	98.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.169	C	C	.	.			trans	-110.2	25.2	168.7	-65.7	-77.6	0	0	0	110.9	F91 L96 F101 L106 A109 D113 A114 L116 L126 D130 L131	F91-F111 HydrophobicContact CB-CD1 3.6Å; F91-F111 HydrophobicContact CB-CE1 3.81Å; F91-F111 HydrophobicContact CB-CG 4.45Å; F91-F111 HydrophobicContact CD2-CD1 4.07Å; F91-F111 AromaticContact CD2-CE1 3.45Å; F91-F111 HydrophobicContact CD2-CE1 3.45Å; F91-F111 VanDerWaalsContact CD2-CE1 3.45Å; F91-F111 AromaticContact CD2-CZ 3.77Å; F91-F111 HydrophobicContact CD2-CZ 3.77Å; F91-F111 HydrophobicContact CE2-CE1 4.12Å; F91-F111 HydrophobicContact CE2-CZ 4.16Å; F91-F111 HydrophobicContact CG-CD1 4.06Å; F91-F111 AromaticContact CG-CE1 3.72Å; F91-F111 HydrophobicContact CG-CE1 3.72Å; F91-F111 HydrophobicContact CG-CZ 4.48Å; L96-F111 HydrophobicContact CD1-CD1 3.69Å; L96-F111 HydrophobicContact CD1-CE1 3.63Å; F101-F111 HydrophobicContact CE1-CE1 4.43Å; F101-F111 HydrophobicContact CE1-CZ 4.33Å; F101-F111 HydrophobicContact CE2-CE1 4.16Å; F101-F111 HydrophobicContact CE2-CZ 4.5Å; F101-F111 AromaticContact CZ-CE1 3.88Å; F101-F111 HydrophobicContact CZ-CE1 3.88Å; F101-F111 HydrophobicContact CZ-CZ 4.19Å; L106-F111 HydrophobicContact CD1-CE2 4.07Å; L106-F111 HydrophobicContact CD1-CZ 3.89Å; L106-F111 HydrophobicContact CD2-CE2 3.98Å; L106-F111 HydrophobicContact CD2-CZ 3.65Å; L106-F111 HydrophobicContact CG-CE2 4.45Å; L106-F111 HydrophobicContact CG-CZ 4.36Å; A109-F111 HydrophobicContact CB-CD2 4.48Å; A109-F111 HydrophobicContact CB-CE2 3.99Å; F111-D113 PolarHBondContact O-N 3.33Å; F111-D113 VanDerWaalsContact O-N 3.12Å; F111-A114 HydrophobicContact CB-CB 4.1Å; F111-A114 HydrophobicContact CD1-CB 4.44Å; F111-A114 WeakPolarHBondContact O-CB 3.36Å; F111-A114 PolarHBondContact O-N 3.19Å; F111-L116 HydrophobicContact CB-CD1 4.08Å; F111-L116 HydrophobicContact CD1-CD1 3.92Å; F111-L116 HydrophobicContact CD1-CD2 4.17Å; F111-L116 HydrophobicContact CD1-CG 4.39Å; F111-L116 HydrophobicContact CE1-CD2 4.15Å; F111-L116 HydrophobicContact CG-CD1 4Å; F111-L126 HydrophobicContact CE2-CD2 3.91Å; F111-D130 CarbonylContact C-O 3.49Å; F111-D130 WeakPolarHBondContact CA-O 3.32Å; F111-D130 PolarHBondContact N-O 2.89Å; F111-L131 HydrophobicContact CB-CD2 3.94Å; F111-L131 HydrophobicContact CD2-CD2 3.85Å; F111-L131 HydrophobicContact CG-CD2 4.17Å
112	F	97.9	Very high	98.2	Very high	57 Å²	57	28.7 Å²	28.7	25%	0.25	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	121.9	-178.7	-178.9	-82.5	0	0	0	110.3	K92 T93 A114 D130 S132 L133	K92-F112 CarbonylContact C-O 3.22Å; K92-F112 WeakPolarHBondContact CA-O 3.28Å; K92-F112 HydrophobicContact CB-CB 4.43Å; K92-F112 HydrophobicContact CD-CB 4.2Å; K92-F112 HydrophobicContact CD-CD1 3.9Å; K92-F112 HydrophobicContact CD-CG 4.33Å; K92-F112 VanDerWaalsContact CE-CD1 3.41Å; K92-F112 HydrophobicContact CG-CB 4.13Å; K92-F112 HydrophobicContact CG-CD1 4.03Å; T93-F112 PolarHBondContact N-O 2.88Å; F112-A114 PolarHBondContact O-N 3.14Å; F112-A114 VanDerWaalsContact O-N 3.17Å; F112-D130 PolarHBondContact N-O 2.6Å; F112-S132 WeakPolarHBondContact CA-O 3.24Å; F112-L133 HydrophobicContact CE1-CD1 3.98Å; F112-L133 HydrophobicContact CE2-CD1 4.05Å; F112-L133 HydrophobicContact CE2-CG 4.38Å; F112-L133 HydrophobicContact CZ-CD1 3.52Å; F112-L133 HydrophobicContact CZ-CG 4.31Å
113	D	98	Very high	98.2	Very high	82 Å²	82	27.1 Å²	27.1	44%	0.439	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	27.3	-179.6	-161	31.3	0	0	0	114	T93 F111 S132 L133	T93-D113 WeakPolarHBondContact CA-O 3.25Å; T93-D113 HydrophobicContact CG2-CB 4.11Å; F111-D113 PolarHBondContact O-N 3.33Å; F111-D113 VanDerWaalsContact O-N 3.12Å; D113-S132 PolarHBondContact N-O 3.06Å; D113-L133 HydrophobicContact CB-CB 4.16Å; D113-L133 HydrophobicContact CB-CD1 4.5Å
114	A	98.5	Very high	98.2	Very high	2 Å²	2	25.3 Å²	25.3	2%	0.017	15%	0.148	C	C	.	.			trans	-85.6	150.3	176.4	0	0	0	0	0	112	S94 L96 F111 F112 A134 N135	S94-A114 WeakPolarHBondContact O-CA 3.24Å; L96-A114 HydrophobicContact CD1-CB 4.48Å; F111-A114 HydrophobicContact CB-CB 4.1Å; F111-A114 HydrophobicContact CD1-CB 4.44Å; F111-A114 WeakPolarHBondContact O-CB 3.36Å; F111-A114 PolarHBondContact O-N 3.19Å; F112-A114 PolarHBondContact O-N 3.14Å; F112-A114 VanDerWaalsContact O-N 3.17Å; A114-A134 WeakPolarHBondContact O-CA 3.2Å; A114-N135 PolarHBondContact O-N 3.28Å
115	D	98.7	Very high	98.2	Very high	24 Å²	24	26.8 Å²	26.8	13%	0.128	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-97.4	98.5	173.5	-171.7	-10	0	0	0	110.9	S94 L96 R97 T117 N135	S94-D115 PolarHBondContact O-N 3.32Å; L96-D115 CarbonylContact C-O 3.52Å; L96-D115 VanDerWaalsContact CA-O 3.26Å; L96-D115 WeakPolarHBondContact CA-O 3.15Å; L96-D115 PolarHBondContact N-O 3.28Å; R97-D115 IonicContact CZ-OD2 3.06Å; R97-D115 PolarHBondContact N-O 2.68Å; R97-D115 IonicContact NE-OD1 3.94Å; R97-D115 IonicContact NE-OD2 2.85Å; R97-D115 PolarHBondContact NE-OD2 3.14Å; R97-D115 IonicContact NH2-OD2 2.7Å; R97-D115 PolarHBondContact NH2-OD2 3.23Å; D115-T117 VanDerWaalsContact OD1-CB 3.26Å; D115-T117 WeakPolarHBondContact OD1-CB 3.44Å; D115-T117 PolarHBondContact OD1-N 2.65Å; D115-T117 PolarHBondContact OD1-OG1 3.24Å; D115-N135 PolarHBondContact OD1-ND2 2.97Å
116	L	98.7	Very high	98.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.144	C	C	.	.			trans	-98.2	24.4	178.5	-72.9	159.1	0	0	0	112	L96 F101 F111 S118 A119 L121 L131 N135 L136	L96-L116 HydrophobicContact CB-CD2 3.7Å; L96-L116 HydrophobicContact CB-CG 4.34Å; L96-L116 HydrophobicContact CD1-CD2 3.85Å; L96-L116 HydrophobicContact CD1-CG 4.49Å; L96-L116 HydrophobicContact CG-CD2 4.43Å; F101-L116 HydrophobicContact CD2-CD2 4.46Å; F101-L116 HydrophobicContact CE2-CD2 3.98Å; F111-L116 HydrophobicContact CB-CD1 4.08Å; F111-L116 HydrophobicContact CD1-CD1 3.92Å; F111-L116 HydrophobicContact CD1-CD2 4.17Å; F111-L116 HydrophobicContact CD1-CG 4.39Å; F111-L116 HydrophobicContact CE1-CD2 4.15Å; F111-L116 HydrophobicContact CG-CD1 4Å; L116-S118 PolarHBondContact O-N 3.46Å; L116-S118 VanDerWaalsContact O-N 3.13Å; L116-A119 HydrophobicContact CB-CB 4.12Å; L116-A119 HydrophobicContact CD2-CB 3.88Å; L116-A119 VanDerWaalsContact O-CB 3.28Å; L116-A119 WeakPolarHBondContact O-CB 3.14Å; L116-A119 PolarHBondContact O-N 2.95Å; L116-L121 HydrophobicContact CD1-CD1 4.47Å; L116-L121 HydrophobicContact CD2-CD1 4.48Å; L116-L131 HydrophobicContact CD1-CD2 4.14Å; L116-N135 CarbonylContact C-O 3.55Å; L116-N135 VanDerWaalsContact CA-O 3.27Å; L116-N135 WeakPolarHBondContact CA-O 3.29Å; L116-N135 WeakPolarHBondContact CB-O 3.31Å; L116-N135 PolarHBondContact N-O 3.23Å; L116-L136 HydrophobicContact CB-CD2 3.92Å; L116-L136 HydrophobicContact CB-CG 4.45Å; L116-L136 HydrophobicContact CD1-CD2 3.65Å; L116-L136 HydrophobicContact CD1-CG 4.28Å; L116-L136 HydrophobicContact CG-CD2 4.41Å
117	T	98.8	Very high	98.3	Very high	31 Å²	31	29 Å²	29	19%	0.19	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	122.8	-177.2	-59.1	0	0	0	0	111	R97 Q98 D115 A119 N135 T137	R97-T117 CarbonylContact C-O 3.53Å; R97-T117 VanDerWaalsContact CA-O 3.24Å; R97-T117 WeakPolarHBondContact CA-O 3.32Å; Q98-T117 PolarHBondContact N-O 2.63Å; D115-T117 VanDerWaalsContact OD1-CB 3.26Å; D115-T117 WeakPolarHBondContact OD1-CB 3.44Å; D115-T117 PolarHBondContact OD1-N 2.65Å; D115-T117 PolarHBondContact OD1-OG1 3.24Å; T117-A119 PolarHBondContact O-N 2.8Å; T117-N135 PolarHBondContact N-O 3.01Å; T117-N135 PolarHBondContact OG1-ND2 2.98Å; T117-T137 CarbonylContact C-O 3.37Å; T117-T137 VanDerWaalsContact CA-O 3.29Å; T117-T137 WeakPolarHBondContact CA-O 2.88Å
118	S	98.7	Very high	98.4	Very high	53 Å²	53	28 Å²	28	37%	0.371	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	21.6	-176.6	-53.1	0	0	0	0	115.6	Q98 L116 T137 K138	Q98-S118 WeakPolarHBondContact CA-O 3.37Å; L116-S118 PolarHBondContact O-N 3.46Å; L116-S118 VanDerWaalsContact O-N 3.13Å; S118-T137 PolarHBondContact N-O 3.33Å; S118-K138 WeakPolarHBondContact CA-O 3.24Å
119	A	98.8	Very high	98.4	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.008	15%	0.152	C	C	.	.			trans	-69.3	148.5	173	0	0	0	0	0	111.3	A99 L116 T117 A139 N140	A99-A119 CarbonylContact O-C 3.28Å; A99-A119 VanDerWaalsContact O-CA 3.32Å; A99-A119 WeakPolarHBondContact O-CA 3.43Å; L116-A119 HydrophobicContact CB-CB 4.12Å; L116-A119 HydrophobicContact CD2-CB 3.88Å; L116-A119 VanDerWaalsContact O-CB 3.28Å; L116-A119 WeakPolarHBondContact O-CB 3.14Å; L116-A119 PolarHBondContact O-N 2.95Å; T117-A119 PolarHBondContact O-N 2.8Å; A119-A139 CarbonylContact O-C 3.57Å; A119-A139 VanDerWaalsContact O-CA 3.29Å; A119-A139 WeakPolarHBondContact O-CA 3.22Å; A119-N140 PolarHBondContact O-N 2.68Å
120	D	98.9	Very high	98.5	Very high	44 Å²	44	28.6 Å²	28.6	24%	0.235	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-96.4	108.1	173	-171.1	1	0	0	0	109.8	A99 F101 K102 S122 N140	A99-D120 PolarHBondContact O-N 3.3Å; F101-D120 CarbonylContact C-O 3.51Å; F101-D120 VanDerWaalsContact CA-O 3.24Å; F101-D120 WeakPolarHBondContact CA-O 3.2Å; F101-D120 WeakPolarHBondContact CB-O 3.29Å; F101-D120 PolarHBondContact N-O 2.92Å; K102-D120 PolarHBondContact N-O 3.09Å; D120-S122 VanDerWaalsContact OD1-CB 3.25Å; D120-S122 WeakPolarHBondContact OD1-CB 3.32Å; D120-S122 PolarHBondContact OD1-N 3.27Å; D120-S122 PolarHBondContact OD1-OG 3.01Å; D120-N140 PolarHBondContact OD1-ND2 3.15Å
121	L	98.8	Very high	98.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.153	C	C	.	.			trans	-112.5	18.7	175.2	-72.4	155.6	0	0	0	110.7	F101 L106 L116 D123 A124 L126 L136 N140 L141	F101-L121 HydrophobicContact CB-CD2 3.52Å; F101-L121 HydrophobicContact CB-CG 4.24Å; F101-L121 HydrophobicContact CD2-CD2 3.92Å; F101-L121 HydrophobicContact CD2-CG 4.44Å; F101-L121 HydrophobicContact CG-CD2 3.89Å; L106-L121 HydrophobicContact CD1-CD2 3.74Å; L116-L121 HydrophobicContact CD1-CD1 4.47Å; L116-L121 HydrophobicContact CD2-CD1 4.48Å; L121-D123 PolarHBondContact O-N 2.96Å; L121-A124 HydrophobicContact CD2-CB 4.48Å; L121-A124 WeakPolarHBondContact O-CB 3.41Å; L121-A124 PolarHBondContact O-N 2.77Å; L121-L126 HydrophobicContact CB-CD1 4.5Å; L121-L126 HydrophobicContact CD2-CD1 4.28Å; L121-L126 HydrophobicContact CD2-CD2 4.25Å; L121-L136 HydrophobicContact CD1-CD2 3.74Å; L121-N140 CarbonylContact C-O 3.33Å; L121-N140 VanDerWaalsContact C-O 3.24Å; L121-N140 VanDerWaalsContact CA-O 3.23Å; L121-N140 WeakPolarHBondContact CA-O 3.28Å; L121-N140 WeakPolarHBondContact CB-O 3.12Å; L121-N140 PolarHBondContact N-O 3.26Å; L121-L141 HydrophobicContact CB-CD2 3.77Å; L121-L141 HydrophobicContact CD1-CD2 3.81Å; L121-L141 HydrophobicContact CG-CD2 4.43Å
122	S	98.9	Very high	98.5	Very high	4 Å²	4	27.6 Å²	27.6	3%	0.028	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	139.5	-179.3	53.9	0	0	0	0	111.7	K102 G103 D120 A124 N140 S142	K102-S122 CarbonylContact C-O 3.57Å; K102-S122 VanDerWaalsContact CA-O 3.28Å; K102-S122 WeakPolarHBondContact CA-O 3.07Å; K102-S122 WeakPolarHBondContact CG-OG 3.35Å; G103-S122 PolarHBondContact N-O 2.85Å; D120-S122 VanDerWaalsContact OD1-CB 3.25Å; D120-S122 WeakPolarHBondContact OD1-CB 3.32Å; D120-S122 PolarHBondContact OD1-N 3.27Å; D120-S122 PolarHBondContact OD1-OG 3.01Å; S122-A124 PolarHBondContact O-N 3.21Å; S122-N140 PolarHBondContact N-O 3.04Å; S122-S142 CarbonylContact C-O 3.29Å; S122-S142 WeakPolarHBondContact CA-O 3.25Å; S122-S142 WeakPolarHBondContact CB-OG 3.09Å
123	D	98.7	Very high	98.5	Very high	67 Å²	67	27.4 Å²	27.4	36%	0.358	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	12.4	-178	-49.9	-62.1	0	0	0	114.8	L121 S142 N143	L121-D123 PolarHBondContact O-N 2.96Å; D123-S142 PolarHBondContact N-O 3.45Å; D123-N143 VanDerWaalsContact OD1-CB 3.28Å; D123-N143 WeakPolarHBondContact OD1-CB 3.38Å; D123-N143 PolarHBondContact OD1-ND2 3.18Å
124	A	98.7	Very high	98.6	Very high	2 Å²	2	23.6 Å²	23.6	2%	0.017	14%	0.136	C	C	.	.			trans	-77.2	144.9	-178.2	0	0	0	0	0	112.5	A104 L106 L121 S122 L126 A144 N145	A104-A124 WeakPolarHBondContact O-CA 3.13Å; L106-A124 HydrophobicContact CD1-CB 4.41Å; L121-A124 HydrophobicContact CD2-CB 4.48Å; L121-A124 WeakPolarHBondContact O-CB 3.41Å; L121-A124 PolarHBondContact O-N 2.77Å; S122-A124 PolarHBondContact O-N 3.21Å; A124-L126 HydrophobicContact CB-CG 4.4Å; A124-L126 PolarHBondContact O-N 3.02Å; A124-A144 WeakPolarHBondContact O-CA 3.24Å; A124-N145 PolarHBondContact O-N 3.22Å
125	D	98.6	Very high	98.6	Very high	32 Å²	32	25.8 Å²	25.8	17%	0.171	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-88.8	99.2	170.2	-177.4	-2.9	0	0	0	109.2	A104 L106 L107 R127	A104-D125 PolarHBondContact O-N 3.19Å; L106-D125 CarbonylContact C-O 2.92Å; L106-D125 WeakPolarHBondContact CA-O 3.23Å; L106-D125 VanDerWaalsContact CB-O 3.32Å; L106-D125 WeakPolarHBondContact CB-O 3.44Å; L106-D125 PolarHBondContact N-O 2.78Å; L107-D125 PolarHBondContact N-O 2.75Å; D125-R127 WeakPolarHBondContact OD1-CB 3.36Å; D125-R127 WeakPolarHBondContact OD1-CG 3.23Å; D125-R127 IonicContact OD1-CZ 3.77Å; D125-R127 PolarHBondContact OD1-N 3.05Å; D125-R127 IonicContact OD1-NE 3.23Å; D125-R127 PolarHBondContact OD1-NE 2.84Å; D125-R127 IonicContact OD1-NH2 3.82Å; D125-R127 IonicContact OD2-CZ 3.38Å; D125-R127 IonicContact OD2-NE 2.91Å; D125-R127 PolarHBondContact OD2-NE 2.89Å; D125-R127 IonicContact OD2-NH2 2.71Å; D125-R127 PolarHBondContact OD2-NH2 3.22Å
126	L	98.7	Very high	98.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.142	C	C	.	.			trans	-104	18	-179.8	-73	165.6	0	0	0	112.2	L106 F111 L121 A124 G128 A129 L141 A144 N145 L146	L106-L126 HydrophobicContact CB-CD2 3.76Å; L106-L126 HydrophobicContact CD1-CD2 3.7Å; L106-L126 HydrophobicContact CG-CD2 4.37Å; F111-L126 HydrophobicContact CE2-CD2 3.91Å; L121-L126 HydrophobicContact CB-CD1 4.5Å; L121-L126 HydrophobicContact CD2-CD1 4.28Å; L121-L126 HydrophobicContact CD2-CD2 4.25Å; A124-L126 HydrophobicContact CB-CG 4.4Å; A124-L126 PolarHBondContact O-N 3.02Å; L126-G128 PolarHBondContact O-N 2.64Å; L126-A129 HydrophobicContact CB-CB 4.25Å; L126-A129 HydrophobicContact CD2-CB 4.1Å; L126-A129 WeakPolarHBondContact O-CB 3.3Å; L126-A129 PolarHBondContact O-N 3Å; L126-L141 HydrophobicContact CD1-CD2 3.84Å; L126-A144 HydrophobicContact CD1-CB 4.27Å; L126-N145 CarbonylContact C-O 2.9Å; L126-N145 VanDerWaalsContact C-O 3.28Å; L126-N145 VanDerWaalsContact CA-O 3.26Å; L126-N145 WeakPolarHBondContact CA-O 3.23Å; L126-N145 WeakPolarHBondContact CB-O 3.22Å; L126-N145 PolarHBondContact N-O 3.1Å; L126-L146 HydrophobicContact CB-CG 4.29Å; L126-L146 HydrophobicContact CD1-CD2 4.37Å; L126-L146 HydrophobicContact CD1-CG 4.14Å
127	R	98.7	Very high	98.5	Very high	91 Å²	91	26.1 Å²	26.1	34%	0.343	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	130.2	-176.2	-69.2	-178	-68.4	165.2	1.4	111.4	L107 G108 D125 A129 N145 E147	L107-R127 HydrophobicContact CD1-CB 3.64Å; L107-R127 WeakPolarHBondContact CD1-O 3.18Å; G108-R127 PolarHBondContact N-O 3.28Å; D125-R127 WeakPolarHBondContact OD1-CB 3.36Å; D125-R127 WeakPolarHBondContact OD1-CG 3.23Å; D125-R127 IonicContact OD1-CZ 3.77Å; D125-R127 PolarHBondContact OD1-N 3.05Å; D125-R127 IonicContact OD1-NE 3.23Å; D125-R127 PolarHBondContact OD1-NE 2.84Å; D125-R127 IonicContact OD1-NH2 3.82Å; D125-R127 IonicContact OD2-CZ 3.38Å; D125-R127 IonicContact OD2-NE 2.91Å; D125-R127 PolarHBondContact OD2-NE 2.89Å; D125-R127 IonicContact OD2-NH2 2.71Å; D125-R127 PolarHBondContact OD2-NH2 3.22Å; R127-A129 PolarHBondContact O-N 2.99Å; R127-A129 VanDerWaalsContact O-N 3.09Å; R127-N145 WeakPolarHBondContact CD-ND2 3.48Å; R127-N145 HydrophobicContact CG-CB 4.44Å; R127-N145 PolarHBondContact N-O 3.25Å; R127-E147 CarbonylContact C-O 3.54Å; R127-E147 VanDerWaalsContact CA-O 3.25Å; R127-E147 WeakPolarHBondContact CA-O 3.19Å; R127-E147 HydrophobicContact CG-CB 4Å
128	G	98.2	Very high	98.5	Very high	43 Å²	43	31.4 Å²	31.4	44%	0.443	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	13.1	-177.2	0	0	0	0	0	115.7	L126 E147	L126-G128 PolarHBondContact O-N 2.64Å; G128-E147 PolarHBondContact N-O 2.98Å
129	A	98.5	Very high	98.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.154	C	C	.	.			trans	-67.8	147	177.1	0	0	0	0	0	111.3	A109 L126 R127 A149 L150	A109-A129 CarbonylContact O-C 3.59Å; A109-A129 VanDerWaalsContact O-CA 3.24Å; A109-A129 WeakPolarHBondContact O-CA 3.29Å; A109-A129 WeakPolarHBondContact O-CB 3.28Å; L126-A129 HydrophobicContact CB-CB 4.25Å; L126-A129 HydrophobicContact CD2-CB 4.1Å; L126-A129 WeakPolarHBondContact O-CB 3.3Å; L126-A129 PolarHBondContact O-N 3Å; R127-A129 PolarHBondContact O-N 2.99Å; R127-A129 VanDerWaalsContact O-N 3.09Å; A129-A149 CarbonylContact O-C 3.44Å; A129-A149 VanDerWaalsContact O-CA 3.28Å; A129-A149 WeakPolarHBondContact O-CA 3.47Å; A129-A149 WeakPolarHBondContact O-CB 3.29Å; A129-L150 PolarHBondContact O-N 3.31Å
130	D	98.4	Very high	98.5	Very high	40 Å²	40	31 Å²	31	21%	0.214	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-96	102	174.3	-177.7	15.7	0	0	0	110.4	A109 F111 F112 S132	A109-D130 PolarHBondContact O-N 2.81Å; F111-D130 CarbonylContact C-O 3.49Å; F111-D130 WeakPolarHBondContact CA-O 3.32Å; F111-D130 PolarHBondContact N-O 2.89Å; F112-D130 PolarHBondContact N-O 2.6Å; D130-S132 WeakPolarHBondContact OD1-CB 3.28Å; D130-S132 PolarHBondContact OD1-N 2.76Å; D130-S132 PolarHBondContact OD1-OG 2.88Å
131	L	98.4	Very high	98.5	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	15%	0.153	C	C	.	.			trans	-99.6	13.1	174.9	-62.1	162.6	0	0	0	111.6	F111 L116 L133 A134 L136 L146 L150 T155	F111-L131 HydrophobicContact CB-CD2 3.94Å; F111-L131 HydrophobicContact CD2-CD2 3.85Å; F111-L131 HydrophobicContact CG-CD2 4.17Å; L116-L131 HydrophobicContact CD1-CD2 4.14Å; L131-L133 PolarHBondContact O-N 2.87Å; L131-A134 HydrophobicContact CB-CB 4.38Å; L131-A134 WeakPolarHBondContact O-CB 3.23Å; L131-A134 PolarHBondContact O-N 2.95Å; L131-L136 HydrophobicContact CD1-CD1 4.3Å; L131-L136 HydrophobicContact CD2-CD1 4.27Å; L131-L146 HydrophobicContact CD1-CD2 3.8Å; L131-L150 CarbonylContact C-O 3.24Å; L131-L150 VanDerWaalsContact CA-O 3.28Å; L131-L150 WeakPolarHBondContact CA-O 3.44Å; L131-L150 WeakPolarHBondContact CB-O 3.29Å; L131-L150 PolarHBondContact N-O 2.7Å; L131-T155 WeakPolarHBondContact O-CG2 3.41Å; L131-T155 PolarHBondContact O-OG1 2.75Å; L131-T155 VanDerWaalsContact O-OG1 3.05Å
132	S	98.2	Very high	98.5	Very high	6 Å²	6	30 Å²	30	4%	0.042	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	132.9	-176.4	-55.5	0	0	0	0	111.4	F112 D113 D130 A134 L150 T152	F112-S132 WeakPolarHBondContact CA-O 3.24Å; D113-S132 PolarHBondContact N-O 3.06Å; D130-S132 WeakPolarHBondContact OD1-CB 3.28Å; D130-S132 PolarHBondContact OD1-N 2.76Å; D130-S132 PolarHBondContact OD1-OG 2.88Å; S132-A134 PolarHBondContact O-N 3.12Å; S132-L150 PolarHBondContact N-O 3.16Å; S132-T152 VanDerWaalsContact CB-OG1 3.3Å; S132-T152 WeakPolarHBondContact CB-OG1 3.46Å; S132-T152 PolarHBondContact OG-OG1 2.88Å
133	L	97.7	Very high	98.5	Very high	53 Å²	53	31.8 Å²	31.8	28%	0.277	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	4.6	-173.7	-43.6	178	0	0	0	114.9	F112 D113 L131 T152 N154 T155	F112-L133 HydrophobicContact CE1-CD1 3.98Å; F112-L133 HydrophobicContact CE2-CD1 4.05Å; F112-L133 HydrophobicContact CE2-CG 4.38Å; F112-L133 HydrophobicContact CZ-CD1 3.52Å; F112-L133 HydrophobicContact CZ-CG 4.31Å; D113-L133 HydrophobicContact CB-CB 4.16Å; D113-L133 HydrophobicContact CB-CD1 4.5Å; L131-L133 PolarHBondContact O-N 2.87Å; L133-T152 PolarHBondContact N-O 3.05Å; L133-T152 VanDerWaalsContact N-O 3.13Å; L133-N154 WeakPolarHBondContact CA-OD1 3.45Å; L133-N154 WeakPolarHBondContact CD2-OD1 3.49Å; L133-T155 PolarHBondContact N-OG1 3.2Å
134	A	98.4	Very high	98.5	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.008	15%	0.153	C	C	.	.			trans	-71.8	147.1	-177	0	0	0	0	0	112.1	A114 L131 S132 T155 S156	A114-A134 WeakPolarHBondContact O-CA 3.2Å; L131-A134 HydrophobicContact CB-CB 4.38Å; L131-A134 WeakPolarHBondContact O-CB 3.23Å; L131-A134 PolarHBondContact O-N 2.95Å; S132-A134 PolarHBondContact O-N 3.12Å; A134-T155 VanDerWaalsContact O-CA 3.3Å; A134-T155 WeakPolarHBondContact O-CA 3.25Å; A134-T155 WeakPolarHBondContact O-CG2 3.21Å; A134-S156 PolarHBondContact O-N 3.24Å; A134-S156 VanDerWaalsContact O-N 3.15Å
135	N	98.5	Very high	98.5	Very high	49 Å²	49	29.1 Å²	29.1	26%	0.262	16%	0.156	S	C	.	.	B	Isolated β-bridge	trans	-97.9	99.6	172.5	179.8	16	0	0	0	110.5	A114 D115 L116 T117 T137	A114-N135 PolarHBondContact O-N 3.28Å; D115-N135 PolarHBondContact OD1-ND2 2.97Å; L116-N135 CarbonylContact C-O 3.55Å; L116-N135 VanDerWaalsContact CA-O 3.27Å; L116-N135 WeakPolarHBondContact CA-O 3.29Å; L116-N135 WeakPolarHBondContact CB-O 3.31Å; L116-N135 PolarHBondContact N-O 3.23Å; T117-N135 PolarHBondContact N-O 3.01Å; T117-N135 PolarHBondContact OG1-ND2 2.98Å; N135-T137 VanDerWaalsContact C-N 3.34Å; N135-T137 WeakPolarHBondContact OD1-CB 3.39Å; N135-T137 PolarHBondContact OD1-N 2.85Å; N135-T137 VanDerWaalsContact OD1-N 3.1Å; N135-T137 PolarHBondContact OD1-OG1 3.26Å
136	L	98.6	Very high	98.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.148	C	C	.	.			trans	-97	23.7	175.6	-68.1	150.6	0	0	0	112	L116 L121 L131 K138 A139 T155 S156 F157	L116-L136 HydrophobicContact CB-CD2 3.92Å; L116-L136 HydrophobicContact CB-CG 4.45Å; L116-L136 HydrophobicContact CD1-CD2 3.65Å; L116-L136 HydrophobicContact CD1-CG 4.28Å; L116-L136 HydrophobicContact CG-CD2 4.41Å; L121-L136 HydrophobicContact CD1-CD2 3.74Å; L131-L136 HydrophobicContact CD1-CD1 4.3Å; L131-L136 HydrophobicContact CD2-CD1 4.27Å; L136-K138 PolarHBondContact O-N 2.95Å; L136-K138 VanDerWaalsContact O-N 3.17Å; L136-A139 HydrophobicContact CB-CB 4.1Å; L136-A139 HydrophobicContact CD2-CB 3.98Å; L136-A139 WeakPolarHBondContact O-CB 3.02Å; L136-A139 PolarHBondContact O-N 2.77Å; L136-T155 HydrophobicContact CD1-CG2 4.17Å; L136-S156 CarbonylContact C-O 3.31Å; L136-S156 VanDerWaalsContact C-O 3.31Å; L136-S156 VanDerWaalsContact CA-O 3.26Å; L136-S156 WeakPolarHBondContact CA-O 3.26Å; L136-S156 VanDerWaalsContact CB-O 3.28Å; L136-S156 WeakPolarHBondContact CB-O 3.41Å; L136-S156 PolarHBondContact N-O 2.95Å; L136-F157 HydrophobicContact CB-CD1 4.28Å; L136-F157 HydrophobicContact CD1-CD1 3.88Å; L136-F157 HydrophobicContact CD1-CE1 3.4Å; L136-F157 HydrophobicContact CD1-CZ 3.82Å
137	T	98.6	Very high	98.5	Very high	31 Å²	31	31.6 Å²	31.6	19%	0.19	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	123.7	180	-64.4	0	0	0	0	110.2	T117 S118 N135 A139 S156 K158	T117-T137 CarbonylContact C-O 3.37Å; T117-T137 VanDerWaalsContact CA-O 3.29Å; T117-T137 WeakPolarHBondContact CA-O 2.88Å; S118-T137 PolarHBondContact N-O 3.33Å; N135-T137 VanDerWaalsContact C-N 3.34Å; N135-T137 WeakPolarHBondContact OD1-CB 3.39Å; N135-T137 PolarHBondContact OD1-N 2.85Å; N135-T137 VanDerWaalsContact OD1-N 3.1Å; N135-T137 PolarHBondContact OD1-OG1 3.26Å; T137-A139 PolarHBondContact O-N 3.27Å; T137-S156 PolarHBondContact N-O 2.93Å; T137-S156 PolarHBondContact OG1-OG 3.28Å; T137-K158 CarbonylContact C-O 3.55Å; T137-K158 VanDerWaalsContact CA-O 3.27Å; T137-K158 WeakPolarHBondContact CA-O 3.49Å; T137-K158 WeakPolarHBondContact CG2-O 3.24Å
138	K	98.6	Very high	98.5	Very high	141 Å²	141	28.8 Å²	28.8	61%	0.613	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	14.8	-176.3	-57.1	177.1	179.1	-176.7	0	115.8	S118 L136 K158 G159	S118-K138 WeakPolarHBondContact CA-O 3.24Å; L136-K138 PolarHBondContact O-N 2.95Å; L136-K138 VanDerWaalsContact O-N 3.17Å; K138-K158 PolarHBondContact N-O 3.04Å; K138-G159 WeakPolarHBondContact CA-O 3.3Å
139	A	98.8	Very high	98.5	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.008	14%	0.144	C	C	.	.			trans	-66.8	147.2	174.5	0	0	0	0	0	110.8	A119 L136 T137 A160 D161	A119-A139 CarbonylContact O-C 3.57Å; A119-A139 VanDerWaalsContact O-CA 3.29Å; A119-A139 WeakPolarHBondContact O-CA 3.22Å; L136-A139 HydrophobicContact CB-CB 4.1Å; L136-A139 HydrophobicContact CD2-CB 3.98Å; L136-A139 WeakPolarHBondContact O-CB 3.02Å; L136-A139 PolarHBondContact O-N 2.77Å; T137-A139 PolarHBondContact O-N 3.27Å; A139-A160 CarbonylContact O-C 3.53Å; A139-A160 WeakPolarHBondContact O-CA 3.13Å; A139-A160 WeakPolarHBondContact O-CB 3.43Å; A139-D161 PolarHBondContact O-N 2.78Å
140	N	98.8	Very high	98.5	Very high	45 Å²	45	30.4 Å²	30.4	24%	0.241	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-91.8	110.6	171	-179.3	8.6	0	0	0	109	A119 D120 L121 S122 S142	A119-N140 PolarHBondContact O-N 2.68Å; D120-N140 PolarHBondContact OD1-ND2 3.15Å; L121-N140 CarbonylContact C-O 3.33Å; L121-N140 VanDerWaalsContact C-O 3.24Å; L121-N140 VanDerWaalsContact CA-O 3.23Å; L121-N140 WeakPolarHBondContact CA-O 3.28Å; L121-N140 WeakPolarHBondContact CB-O 3.12Å; L121-N140 PolarHBondContact N-O 3.26Å; S122-N140 PolarHBondContact N-O 3.04Å; N140-S142 VanDerWaalsContact OD1-CB 3.29Å; N140-S142 WeakPolarHBondContact OD1-CB 3.45Å; N140-S142 PolarHBondContact OD1-N 3.12Å; N140-S142 PolarHBondContact OD1-OG 2.92Å
141	L	98.7	Very high	98.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.154	C	C	.	.			trans	-110.4	17.4	175.2	-70.8	161	0	0	0	111.3	L121 L126 N143 A144 L146 F157 D161 I162	L121-L141 HydrophobicContact CB-CD2 3.77Å; L121-L141 HydrophobicContact CD1-CD2 3.81Å; L121-L141 HydrophobicContact CG-CD2 4.43Å; L126-L141 HydrophobicContact CD1-CD2 3.84Å; L141-N143 PolarHBondContact O-N 2.85Å; L141-A144 HydrophobicContact CB-CB 4.26Å; L141-A144 HydrophobicContact CD2-CB 4.11Å; L141-A144 VanDerWaalsContact O-CB 3.23Å; L141-A144 WeakPolarHBondContact O-CB 3.31Å; L141-A144 PolarHBondContact O-N 3.26Å; L141-L146 HydrophobicContact CD2-CD2 4.44Å; L141-F157 HydrophobicContact CD1-CD1 3.95Å; L141-F157 HydrophobicContact CD1-CE1 3.96Å; L141-D161 CarbonylContact C-O 3.34Å; L141-D161 VanDerWaalsContact CA-O 3.3Å; L141-D161 WeakPolarHBondContact CA-O 3.37Å; L141-D161 WeakPolarHBondContact CB-O 3.14Å; L141-D161 PolarHBondContact N-O 3.34Å; L141-I162 HydrophobicContact CB-CG2 4.31Å; L141-I162 HydrophobicContact CD1-CG2 4.19Å
142	S	98.8	Very high	98.2	Very high	22 Å²	22	31.6 Å²	31.6	15%	0.154	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	129.6	-178.9	54.1	0	0	0	0	111.3	S122 D123 N140 A144 D161 T163	S122-S142 CarbonylContact C-O 3.29Å; S122-S142 WeakPolarHBondContact CA-O 3.25Å; S122-S142 WeakPolarHBondContact CB-OG 3.09Å; D123-S142 PolarHBondContact N-O 3.45Å; N140-S142 VanDerWaalsContact OD1-CB 3.29Å; N140-S142 WeakPolarHBondContact OD1-CB 3.45Å; N140-S142 PolarHBondContact OD1-N 3.12Å; N140-S142 PolarHBondContact OD1-OG 2.92Å; S142-A144 PolarHBondContact O-N 2.88Å; S142-D161 PolarHBondContact N-O 2.85Å; S142-T163 CarbonylContact C-O 3.53Å; S142-T163 WeakPolarHBondContact CA-O 3.29Å
143	N	98.8	Very high	97.9	Very high	43 Å²	43	33 Å²	33	23%	0.23	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	10.9	-173.6	-58.9	-49.7	0	0	0	116.6	D123 L141 T163 G164 N188	D123-N143 VanDerWaalsContact OD1-CB 3.28Å; D123-N143 WeakPolarHBondContact OD1-CB 3.38Å; D123-N143 PolarHBondContact OD1-ND2 3.18Å; L141-N143 PolarHBondContact O-N 2.85Å; N143-T163 PolarHBondContact N-O 3.3Å; N143-G164 WeakPolarHBondContact CA-O 3.26Å; N143-N188 VanDerWaalsContact C-ND2 3.33Å; N143-N188 PolarHBondContact O-ND2 2.87Å
144	A	98.8	Very high	97.7	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.			trans	-66.7	140.8	175.9	0	0	0	0	0	110.5	A124 L126 L141 S142 L146 A165 D166 N188	A124-A144 WeakPolarHBondContact O-CA 3.24Å; L126-A144 HydrophobicContact CD1-CB 4.27Å; L141-A144 HydrophobicContact CB-CB 4.26Å; L141-A144 HydrophobicContact CD2-CB 4.11Å; L141-A144 VanDerWaalsContact O-CB 3.23Å; L141-A144 WeakPolarHBondContact O-CB 3.31Å; L141-A144 PolarHBondContact O-N 3.26Å; S142-A144 PolarHBondContact O-N 2.88Å; A144-L146 HydrophobicContact CB-CD1 3.96Å; A144-A165 WeakPolarHBondContact O-CA 3.48Å; A144-D166 PolarHBondContact O-N 3.04Å; A144-N188 PolarHBondContact O-ND2 3.11Å
145	N	98.8	Very high	97.7	Very high	13 Å²	13	36.1 Å²	36.1	7%	0.07	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-98.1	107.5	173.6	-176	-7.7	0	0	0	109.7	A124 L126 R127 E147 T191	A124-N145 PolarHBondContact O-N 3.22Å; L126-N145 CarbonylContact C-O 2.9Å; L126-N145 VanDerWaalsContact C-O 3.28Å; L126-N145 VanDerWaalsContact CA-O 3.26Å; L126-N145 WeakPolarHBondContact CA-O 3.23Å; L126-N145 WeakPolarHBondContact CB-O 3.22Å; L126-N145 PolarHBondContact N-O 3.1Å; R127-N145 WeakPolarHBondContact CD-ND2 3.48Å; R127-N145 HydrophobicContact CG-CB 4.44Å; R127-N145 PolarHBondContact N-O 3.25Å; N145-E147 WeakPolarHBondContact OD1-CB 3.34Å; N145-E147 PolarHBondContact OD1-N 2.65Å; N145-T191 WeakPolarHBondContact ND2-CG2 3.44Å
146	L	98.6	Very high	97.6	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	21%	0.205	C	C	.	.			trans	-102.5	19.3	178.4	-57.4	91.6	0	0	0	112.3	L126 L131 L141 A144 G148 A149 A165 D166 F167 V170	L126-L146 HydrophobicContact CB-CG 4.29Å; L126-L146 HydrophobicContact CD1-CD2 4.37Å; L126-L146 HydrophobicContact CD1-CG 4.14Å; L131-L146 HydrophobicContact CD1-CD2 3.8Å; L141-L146 HydrophobicContact CD2-CD2 4.44Å; A144-L146 HydrophobicContact CB-CD1 3.96Å; L146-G148 PolarHBondContact O-N 3.18Å; L146-G148 VanDerWaalsContact O-N 3.12Å; L146-A149 HydrophobicContact CB-CB 4Å; L146-A149 WeakPolarHBondContact O-CB 3.4Å; L146-A149 PolarHBondContact O-N 2.93Å; L146-A165 HydrophobicContact CD1-CB 4.06Å; L146-D166 CarbonylContact C-O 3.12Å; L146-D166 VanDerWaalsContact CA-O 3.31Å; L146-D166 WeakPolarHBondContact CA-O 3.26Å; L146-D166 VanDerWaalsContact CB-O 3.29Å; L146-D166 WeakPolarHBondContact CB-O 3.41Å; L146-D166 PolarHBondContact N-O 2.77Å; L146-F167 HydrophobicContact CD1-CE1 4.41Å; L146-F167 HydrophobicContact CD1-CZ 4.41Å; L146-F167 HydrophobicContact CD2-CE1 4.05Å; L146-V170 HydrophobicContact CB-CG2 4.14Å; L146-V170 WeakPolarHBondContact O-CG2 3.38Å
147	E	98.7	Very high	97.6	Very high	83 Å²	83	36 Å²	36	39%	0.388	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	121.2	-177.1	178.6	-160.7	157.6	0	0	111.5	R127 G128 N145 A149 T168	R127-E147 CarbonylContact C-O 3.54Å; R127-E147 VanDerWaalsContact CA-O 3.25Å; R127-E147 WeakPolarHBondContact CA-O 3.19Å; R127-E147 HydrophobicContact CG-CB 4Å; G128-E147 PolarHBondContact N-O 2.98Å; N145-E147 WeakPolarHBondContact OD1-CB 3.34Å; N145-E147 PolarHBondContact OD1-N 2.65Å; E147-A149 PolarHBondContact O-N 2.88Å; E147-T168 CarbonylContact C-O 3.56Å; E147-T168 VanDerWaalsContact CA-O 3.24Å; E147-T168 WeakPolarHBondContact CA-O 3.39Å; E147-T168 HydrophobicContact CG-CG2 4.24Å
148	G	98.4	Very high	97.5	Very high	31 Å²	31	41.3 Å²	41.3	32%	0.32	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	10.7	-178.1	0	0	0	0	0	115.8	L146 T168	L146-G148 PolarHBondContact O-N 3.18Å; L146-G148 VanDerWaalsContact O-N 3.12Å; G148-T168 PolarHBondContact N-O 2.98Å
149	A	98.5	Very high	97.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.221	C	C	.	.			trans	-65.4	151.6	174.4	0	0	0	0	0	111.4	A129 L146 E147 V170 P171	A129-A149 CarbonylContact O-C 3.44Å; A129-A149 VanDerWaalsContact O-CA 3.28Å; A129-A149 WeakPolarHBondContact O-CA 3.47Å; A129-A149 WeakPolarHBondContact O-CB 3.29Å; L146-A149 HydrophobicContact CB-CB 4Å; L146-A149 WeakPolarHBondContact O-CB 3.4Å; L146-A149 PolarHBondContact O-N 2.93Å; E147-A149 PolarHBondContact O-N 2.88Å; A149-V170 HydrophobicContact CB-CG2 4.3Å; A149-P171 WeakPolarHBondContact O-CD 3.35Å
150	L	98.2	Very high	97.5	Very high	78 Å²	78	37.1 Å²	37.1	41%	0.408	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-99.3	121.9	176.7	-58.7	177.6	0	0	0	109.9	A129 L131 S132 P171	A129-L150 PolarHBondContact O-N 3.31Å; L131-L150 CarbonylContact C-O 3.24Å; L131-L150 VanDerWaalsContact CA-O 3.28Å; L131-L150 WeakPolarHBondContact CA-O 3.44Å; L131-L150 WeakPolarHBondContact CB-O 3.29Å; L131-L150 PolarHBondContact N-O 2.7Å; S132-L150 PolarHBondContact N-O 3.16Å; L150-P171 HydrophobicContact CD2-CG 4.03Å
151	A	96.3	Very high	97.5	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	23%	0.23	C	C	.	.			trans	-123.9	43.9	178.2	0	0	0	0	0	112	T155 F157 V170 L172 Q176	A151-T155 HydrophobicContact CB-CG2 4.27Å; A151-T155 PolarHBondContact O-OG1 2.97Å; A151-F157 HydrophobicContact CB-CE2 4.06Å; A151-F157 HydrophobicContact CB-CZ 3.93Å; A151-V170 HydrophobicContact CB-CG1 4.15Å; A151-L172 HydrophobicContact CB-CD2 4.11Å; A151-Q176 PolarHBondContact O-NE2 3.18Å; A151-Q176 VanDerWaalsContact O-NE2 3.11Å
152	T	93.2	Very high	97.5	Very high	64 Å²	64	38.4 Å²	38.4	39%	0.393	23%	0.23	S	C	.	.			trans	-81	169.6	-171.5	73.2	0	0	0	0	113.2	S132 L133 T155	S132-T152 VanDerWaalsContact CB-OG1 3.3Å; S132-T152 WeakPolarHBondContact CB-OG1 3.46Å; S132-T152 PolarHBondContact OG-OG1 2.88Å; L133-T152 PolarHBondContact N-O 3.05Å; L133-T152 VanDerWaalsContact N-O 3.13Å; T152-T155 PolarHBondContact O-OG1 2.95Å
153	G	93	Very high	97.5	Very high	37 Å²	37	39.9 Å²	39.9	38%	0.381	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	-155.7	179.7	0	0	0	0	0	113.3	T155 R173	G153-T155 PolarHBondContact O-N 3.02Å; G153-R173 PolarHBondContact O-NH1 2.84Å
154	N	93	Very high	97.4	Very high	115 Å²	115	37.8 Å²	37.8	62%	0.615	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	29	-174.6	66.7	-27.5	0	0	0	115.4	L133 S156	L133-N154 WeakPolarHBondContact CA-OD1 3.45Å; L133-N154 WeakPolarHBondContact CD2-OD1 3.49Å; N154-S156 PolarHBondContact O-N 3.13Å
155	T	97.3	Very high	97.4	Very high	4 Å²	4	37.8 Å²	37.8	3%	0.025	23%	0.227	C	C	.	.			trans	-55.8	120.9	175.6	-53.3	0	0	0	0	110.5	L131 L133 A134 L136 A151 T152 G153 F157 Q176	L131-T155 WeakPolarHBondContact O-CG2 3.41Å; L131-T155 PolarHBondContact O-OG1 2.75Å; L131-T155 VanDerWaalsContact O-OG1 3.05Å; L133-T155 PolarHBondContact N-OG1 3.2Å; A134-T155 VanDerWaalsContact O-CA 3.3Å; A134-T155 WeakPolarHBondContact O-CA 3.25Å; A134-T155 WeakPolarHBondContact O-CG2 3.21Å; L136-T155 HydrophobicContact CD1-CG2 4.17Å; A151-T155 HydrophobicContact CB-CG2 4.27Å; A151-T155 PolarHBondContact O-OG1 2.97Å; T152-T155 PolarHBondContact O-OG1 2.95Å; G153-T155 PolarHBondContact O-N 3.02Å; T155-F157 HydrophobicContact CG2-CD2 4.39Å; T155-F157 HydrophobicContact CG2-CE2 3.71Å; T155-F157 HydrophobicContact CG2-CZ 4.02Å; T155-Q176 PolarHBondContact O-NE2 3.34Å; T155-Q176 VanDerWaalsContact O-NE2 3.12Å
156	S	97.4	Very high	97.4	Very high	38 Å²	38	37.2 Å²	37.2	27%	0.266	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-107.4	123.4	-175	174.2	0	0	0	0	111.1	A134 L136 T137 N154 K158	A134-S156 PolarHBondContact O-N 3.24Å; A134-S156 VanDerWaalsContact O-N 3.15Å; L136-S156 CarbonylContact C-O 3.31Å; L136-S156 VanDerWaalsContact C-O 3.31Å; L136-S156 VanDerWaalsContact CA-O 3.26Å; L136-S156 WeakPolarHBondContact CA-O 3.26Å; L136-S156 VanDerWaalsContact CB-O 3.28Å; L136-S156 WeakPolarHBondContact CB-O 3.41Å; L136-S156 PolarHBondContact N-O 2.95Å; T137-S156 PolarHBondContact N-O 2.93Å; T137-S156 PolarHBondContact OG1-OG 3.28Å; N154-S156 PolarHBondContact O-N 3.13Å; S156-K158 PolarHBondContact OG-N 3.29Å
157	F	97.7	Very high	97.4	Very high	7 Å²	7	37.3 Å²	37.3	3%	0.031	23%	0.225	C	C	.	.			trans	-104.1	17.1	172	-65.4	-90.1	0	0	0	112.5	L136 L141 A151 T155 G159 A160 F167 L172 Y179 L180	L136-F157 HydrophobicContact CB-CD1 4.28Å; L136-F157 HydrophobicContact CD1-CD1 3.88Å; L136-F157 HydrophobicContact CD1-CE1 3.4Å; L136-F157 HydrophobicContact CD1-CZ 3.82Å; L141-F157 HydrophobicContact CD1-CD1 3.95Å; L141-F157 HydrophobicContact CD1-CE1 3.96Å; A151-F157 HydrophobicContact CB-CE2 4.06Å; A151-F157 HydrophobicContact CB-CZ 3.93Å; T155-F157 HydrophobicContact CG2-CD2 4.39Å; T155-F157 HydrophobicContact CG2-CE2 3.71Å; T155-F157 HydrophobicContact CG2-CZ 4.02Å; F157-G159 PolarHBondContact O-N 2.7Å; F157-A160 HydrophobicContact CB-CB 4.4Å; F157-A160 VanDerWaalsContact O-CB 3.26Å; F157-A160 WeakPolarHBondContact O-CB 3.34Å; F157-A160 PolarHBondContact O-N 3.28Å; F157-F167 HydrophobicContact CE1-CE1 4.29Å; F157-F167 HydrophobicContact CZ-CE1 4.5Å; F157-L172 HydrophobicContact CE2-CD2 4.46Å; F157-Y179 HydrophobicContact CB-CE1 4.45Å; F157-Y179 WeakPolarHBondContact O-CE1 3.49Å; F157-L180 HydrophobicContact CB-CD2 3.71Å; F157-L180 HydrophobicContact CD1-CD2 4.3Å; F157-L180 HydrophobicContact CD2-CD1 4.3Å; F157-L180 HydrophobicContact CD2-CD2 4.45Å; F157-L180 HydrophobicContact CG-CD2 3.93Å
158	K	97.7	Very high	97.4	Very high	144 Å²	144	35.1 Å²	35.1	63%	0.626	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	117.6	-170.2	-175	177.9	179	177.6	0	111.6	T137 K138 S156 A160	T137-K158 CarbonylContact C-O 3.55Å; T137-K158 VanDerWaalsContact CA-O 3.27Å; T137-K158 WeakPolarHBondContact CA-O 3.49Å; T137-K158 WeakPolarHBondContact CG2-O 3.24Å; K138-K158 PolarHBondContact N-O 3.04Å; S156-K158 PolarHBondContact OG-N 3.29Å; K158-A160 PolarHBondContact O-N 3.36Å
159	G	97.9	Very high	97.4	Very high	46 Å²	46	39.4 Å²	39.4	47%	0.474	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	12	-180	0	0	0	0	0	114.2	K138 F157 Y179	K138-G159 WeakPolarHBondContact CA-O 3.3Å; F157-G159 PolarHBondContact O-N 2.7Å; G159-Y179 PolarHBondContact N-OH 2.95Å
160	A	98.4	Very high	97.4	Very high	7 Å²	7	40 Å²	40	6%	0.058	24%	0.236	C	C	.	.			trans	-65.8	144	171.2	0	0	0	0	0	110.2	A139 F157 K158 I162 I183	A139-A160 CarbonylContact O-C 3.53Å; A139-A160 WeakPolarHBondContact O-CA 3.13Å; A139-A160 WeakPolarHBondContact O-CB 3.43Å; F157-A160 HydrophobicContact CB-CB 4.4Å; F157-A160 VanDerWaalsContact O-CB 3.26Å; F157-A160 WeakPolarHBondContact O-CB 3.34Å; F157-A160 PolarHBondContact O-N 3.28Å; K158-A160 PolarHBondContact O-N 3.36Å; A160-I162 HydrophobicContact CB-CG2 4.41Å; A160-I183 WeakPolarHBondContact O-CD1 3.37Å
161	D	98.7	Very high	97.3	Very high	71 Å²	71	39.4 Å²	39.4	38%	0.38	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-85.8	119.9	167.5	-177.2	-3.6	0	0	0	108.1	A139 L141 S142 T163	A139-D161 PolarHBondContact O-N 2.78Å; L141-D161 CarbonylContact C-O 3.34Å; L141-D161 VanDerWaalsContact CA-O 3.3Å; L141-D161 WeakPolarHBondContact CA-O 3.37Å; L141-D161 WeakPolarHBondContact CB-O 3.14Å; L141-D161 PolarHBondContact N-O 3.34Å; S142-D161 PolarHBondContact N-O 2.85Å; D161-T163 VanDerWaalsContact OD1-CB 3.29Å; D161-T163 WeakPolarHBondContact OD1-CB 3.33Å; D161-T163 PolarHBondContact OD1-N 3.04Å; D161-T163 PolarHBondContact OD1-OG1 2.84Å
162	I	98.6	Very high	97.3	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	24%	0.241	C	C	.	.			trans	-118.5	19.2	179.4	62.1	154.3	0	0	0	112	L141 A160 G164 A165 F167 L180 I183 A184 T195 L199	L141-I162 HydrophobicContact CB-CG2 4.31Å; L141-I162 HydrophobicContact CD1-CG2 4.19Å; A160-I162 HydrophobicContact CB-CG2 4.41Å; I162-G164 PolarHBondContact O-N 2.93Å; I162-G164 VanDerWaalsContact O-N 3.1Å; I162-A165 HydrophobicContact CB-CB 4.05Å; I162-A165 VanDerWaalsContact O-CB 3.3Å; I162-A165 WeakPolarHBondContact O-CB 3.28Å; I162-A165 PolarHBondContact O-N 2.93Å; I162-F167 HydrophobicContact CB-CE2 4.13Å; I162-F167 HydrophobicContact CB-CZ 4.37Å; I162-F167 HydrophobicContact CD1-CE2 4.05Å; I162-F167 HydrophobicContact CG2-CE2 4.26Å; I162-F167 HydrophobicContact CG2-CZ 3.98Å; I162-L180 HydrophobicContact CD1-CB 4.18Å; I162-L180 HydrophobicContact CD1-CD2 3.9Å; I162-L180 HydrophobicContact CG2-CD2 4.22Å; I162-I183 HydrophobicContact CD1-CD1 4.33Å; I162-I183 HydrophobicContact CD1-CG1 4Å; I162-I183 HydrophobicContact CG1-CD1 4.02Å; I162-I183 HydrophobicContact CG1-CG1 3.99Å; I162-A184 HydrophobicContact CD1-CB 3.87Å; I162-T195 HydrophobicContact CD1-CG2 4.17Å; I162-L199 HydrophobicContact CD1-CD1 4Å
163	T	98.7	Very high	97.3	Very high	53 Å²	53	41.6 Å²	41.6	33%	0.325	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	116	-180	-52.6	0	0	0	0	110.1	S142 N143 D161 A165 D185	S142-T163 CarbonylContact C-O 3.53Å; S142-T163 WeakPolarHBondContact CA-O 3.29Å; N143-T163 PolarHBondContact N-O 3.3Å; D161-T163 VanDerWaalsContact OD1-CB 3.29Å; D161-T163 WeakPolarHBondContact OD1-CB 3.33Å; D161-T163 PolarHBondContact OD1-N 3.04Å; D161-T163 PolarHBondContact OD1-OG1 2.84Å; T163-A165 PolarHBondContact O-N 3.07Å; T163-D185 WeakPolarHBondContact CA-OD1 3.27Å; T163-D185 WeakPolarHBondContact CG2-OD1 3.26Å; T163-D185 PolarHBondContact OG1-OD1 3.21Å
164	G	98.6	Very high	97.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	11.6	-177.7	0	0	0	0	0	114.8	N143 I162 D185 N188 T195	N143-G164 WeakPolarHBondContact CA-O 3.26Å; I162-G164 PolarHBondContact O-N 2.93Å; I162-G164 VanDerWaalsContact O-N 3.1Å; G164-D185 PolarHBondContact N-O 2.79Å; G164-N188 WeakPolarHBondContact O-CA 3.42Å; G164-N188 WeakPolarHBondContact O-CB 3.27Å; G164-N188 PolarHBondContact O-ND2 3.12Å; G164-T195 WeakPolarHBondContact CA-OG1 3.24Å; G164-T195 PolarHBondContact N-OG1 3.43Å
165	A	98.7	Very high	97.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.249	C	C	.	.			trans	-68.5	143.3	172.5	0	0	0	0	0	111.1	A144 L146 I162 T163 F167 T195	A144-A165 WeakPolarHBondContact O-CA 3.48Å; L146-A165 HydrophobicContact CD1-CB 4.06Å; I162-A165 HydrophobicContact CB-CB 4.05Å; I162-A165 VanDerWaalsContact O-CB 3.3Å; I162-A165 WeakPolarHBondContact O-CB 3.28Å; I162-A165 PolarHBondContact O-N 2.93Å; T163-A165 PolarHBondContact O-N 3.07Å; A165-F167 HydrophobicContact CB-CD2 4.2Å; A165-F167 HydrophobicContact CB-CE2 3.61Å; A165-F167 HydrophobicContact CB-CZ 4.28Å; A165-T195 PolarHBondContact N-OG1 3.29Å; A165-T195 VanDerWaalsContact N-OG1 3.09Å; A165-T195 WeakPolarHBondContact O-CA 3.43Å; A165-T195 VanDerWaalsContact O-CB 3.29Å; A165-T195 WeakPolarHBondContact O-CB 3.38Å; A165-T195 VanDerWaalsContact O-CG2 3.24Å; A165-T195 WeakPolarHBondContact O-CG2 3.02Å; A165-T195 PolarHBondContact O-OG1 3.38Å
166	D	98.8	Very high	97.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-103.2	116.3	176.7	-167.5	-30.1	0	0	0	110.4	A144 L146 T168 N188 T191 N193 T198	A144-D166 PolarHBondContact O-N 3.04Å; L146-D166 CarbonylContact C-O 3.12Å; L146-D166 VanDerWaalsContact CA-O 3.31Å; L146-D166 WeakPolarHBondContact CA-O 3.26Å; L146-D166 VanDerWaalsContact CB-O 3.29Å; L146-D166 WeakPolarHBondContact CB-O 3.41Å; L146-D166 PolarHBondContact N-O 2.77Å; D166-T168 WeakPolarHBondContact OD1-CB 3.27Å; D166-T168 PolarHBondContact OD1-N 3.29Å; D166-T168 PolarHBondContact OD1-OG1 3.05Å; D166-N188 HydrophobicContact CB-CB 4.24Å; D166-T191 VanDerWaalsContact OD2-CB 3.31Å; D166-T191 WeakPolarHBondContact OD2-CB 3.43Å; D166-T191 WeakPolarHBondContact OD2-CG2 3.28Å; D166-T191 PolarHBondContact OD2-OG1 3.18Å; D166-N193 WeakPolarHBondContact OD2-CB 3.48Å; D166-N193 PolarHBondContact OD2-ND2 2.85Å; D166-T198 VanDerWaalsContact OD1-CG2 3.25Å; D166-T198 WeakPolarHBondContact OD1-CG2 3.37Å
167	F	98.6	Very high	97.2	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.013	25%	0.25	C	C	.	.			trans	-106.4	20.9	179.7	-70.1	-90.5	0	0	0	113.5	L146 F157 I162 A165 D169 V170 L180 T195 T198 L199	L146-F167 HydrophobicContact CD1-CE1 4.41Å; L146-F167 HydrophobicContact CD1-CZ 4.41Å; L146-F167 HydrophobicContact CD2-CE1 4.05Å; F157-F167 HydrophobicContact CE1-CE1 4.29Å; F157-F167 HydrophobicContact CZ-CE1 4.5Å; I162-F167 HydrophobicContact CB-CE2 4.13Å; I162-F167 HydrophobicContact CB-CZ 4.37Å; I162-F167 HydrophobicContact CD1-CE2 4.05Å; I162-F167 HydrophobicContact CG2-CE2 4.26Å; I162-F167 HydrophobicContact CG2-CZ 3.98Å; A165-F167 HydrophobicContact CB-CD2 4.2Å; A165-F167 HydrophobicContact CB-CE2 3.61Å; A165-F167 HydrophobicContact CB-CZ 4.28Å; F167-D169 PolarHBondContact O-N 3.12Å; F167-V170 HydrophobicContact CB-CB 4.32Å; F167-V170 HydrophobicContact CB-CG2 4.22Å; F167-V170 HydrophobicContact CD1-CB 4.35Å; F167-V170 HydrophobicContact CD1-CG1 4.32Å; F167-V170 HydrophobicContact CD1-CG2 4.25Å; F167-V170 WeakPolarHBondContact O-CB 3.46Å; F167-V170 WeakPolarHBondContact O-CG2 3.39Å; F167-V170 PolarHBondContact O-N 2.95Å; F167-L180 HydrophobicContact CE1-CD1 4.19Å; F167-L180 HydrophobicContact CZ-CD1 4.33Å; F167-T195 HydrophobicContact CD2-CG2 4.27Å; F167-T195 HydrophobicContact CE2-CG2 4.33Å; F167-T198 PolarHBondContact N-OG1 3.25Å; F167-L199 HydrophobicContact CB-CD2 3.67Å; F167-L199 HydrophobicContact CB-CG 4.05Å; F167-L199 HydrophobicContact CD1-CD2 4.02Å; F167-L199 HydrophobicContact CD2-CD1 4.09Å; F167-L199 HydrophobicContact CD2-CD2 3.64Å; F167-L199 HydrophobicContact CD2-CG 3.75Å; F167-L199 HydrophobicContact CE2-CD1 4.32Å; F167-L199 HydrophobicContact CE2-CD2 4.22Å; F167-L199 HydrophobicContact CE2-CG 4.43Å; F167-L199 HydrophobicContact CG-CD2 3.51Å; F167-L199 HydrophobicContact CG-CG 4.04Å
168	T	98.6	Very high	97.2	Very high	37 Å²	37	52 Å²	52	23%	0.227	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	130.4	179.3	-61.6	0	0	0	0	110.7	E147 G148 D166 V170	E147-T168 CarbonylContact C-O 3.56Å; E147-T168 VanDerWaalsContact CA-O 3.24Å; E147-T168 WeakPolarHBondContact CA-O 3.39Å; E147-T168 HydrophobicContact CG-CG2 4.24Å; G148-T168 PolarHBondContact N-O 2.98Å; D166-T168 WeakPolarHBondContact OD1-CB 3.27Å; D166-T168 PolarHBondContact OD1-N 3.29Å; D166-T168 PolarHBondContact OD1-OG1 3.05Å; T168-V170 PolarHBondContact O-N 3.37Å
169	D	97.9	Very high	97.1	Very high	122 Å²	122	49 Å²	49	65%	0.652	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	20.5	-179.2	-62.1	-28.9	0	0	0	115.8	F167 P171	F167-D169 PolarHBondContact O-N 3.12Å; D169-P171 WeakPolarHBondContact O-CD 3.34Å
170	V	97.9	Very high	97.1	Very high	11 Å²	11	46.8 Å²	46.8	7%	0.067	24%	0.237	C	C	.	.			trans	-83.1	116.4	171.7	-179.9	0	0	0	0	109.9	L146 A149 A151 F167 T168 L172	L146-V170 HydrophobicContact CB-CG2 4.14Å; L146-V170 WeakPolarHBondContact O-CG2 3.38Å; A149-V170 HydrophobicContact CB-CG2 4.3Å; A151-V170 HydrophobicContact CB-CG1 4.15Å; F167-V170 HydrophobicContact CB-CB 4.32Å; F167-V170 HydrophobicContact CB-CG2 4.22Å; F167-V170 HydrophobicContact CD1-CB 4.35Å; F167-V170 HydrophobicContact CD1-CG1 4.32Å; F167-V170 HydrophobicContact CD1-CG2 4.25Å; F167-V170 WeakPolarHBondContact O-CB 3.46Å; F167-V170 WeakPolarHBondContact O-CG2 3.39Å; F167-V170 PolarHBondContact O-N 2.95Å; T168-V170 PolarHBondContact O-N 3.37Å; V170-L172 HydrophobicContact CG1-CD2 4Å; V170-L172 HydrophobicContact CG1-CG 4.02Å; V170-L172 PolarHBondContact O-N 2.94Å; V170-L172 VanDerWaalsContact O-N 3.13Å
171	P	96.1	Very high	97.1	Very high	66 Å²	66	48 Å²	48	43%	0.429	24%	0.244	S	C	.	.			trans	-71.9	110.3	174.8	29.3	-32.4	0	0	0	110	A149 L150 D169	A149-P171 WeakPolarHBondContact O-CD 3.35Å; L150-P171 HydrophobicContact CD2-CG 4.03Å; D169-P171 WeakPolarHBondContact O-CD 3.34Å
172	L	95.8	Very high	97.1	Very high	18 Å²	18	51.5 Å²	51.5	9%	0.094	26%	0.256	C	S	.	.			trans	-113.7	141.3	175.7	-65.3	170.8	0	0	0	110.4	A151 F157 V170 Q176 R177 L180 L199	A151-L172 HydrophobicContact CB-CD2 4.11Å; F157-L172 HydrophobicContact CE2-CD2 4.46Å; V170-L172 HydrophobicContact CG1-CD2 4Å; V170-L172 HydrophobicContact CG1-CG 4.02Å; V170-L172 PolarHBondContact O-N 2.94Å; V170-L172 VanDerWaalsContact O-N 3.13Å; L172-Q176 HydrophobicContact CB-CB 4.34Å; L172-Q176 HydrophobicContact CD2-CB 4.17Å; L172-R177 HydrophobicContact CB-CB 4.36Å; L172-L180 HydrophobicContact CD1-CD1 3.73Å; L172-L180 HydrophobicContact CD2-CD1 4.14Å; L172-L199 HydrophobicContact CD1-CD2 3.47Å; L172-L199 VanDerWaalsContact CD1-CD2 3.47Å
173	R	94.4	Very high	97	Very high	94 Å²	94	54.3 Å²	54.3	36%	0.355	27%	0.271	S	S	.	.			trans	-68.5	158.3	165.8	-62.4	-171.9	-49.8	-74.9	5.6	110.7	G153 D175 Q176 R177	G153-R173 PolarHBondContact O-NH1 2.84Å; R173-D175 VanDerWaalsContact C-N 3.28Å; R173-D175 WeakPolarHBondContact CB-OD1 3.28Å; R173-D175 IonicContact CZ-OD1 3.48Å; R173-D175 IonicContact CZ-OD2 2.75Å; R173-D175 IonicContact NE-OD1 3.15Å; R173-D175 PolarHBondContact NE-OD1 2.88Å; R173-D175 IonicContact NE-OD2 3.83Å; R173-D175 PolarHBondContact NE-OD2 2.99Å; R173-D175 IonicContact NH2-OD1 3.59Å; R173-D175 IonicContact NH2-OD2 2.83Å; R173-D175 PolarHBondContact NH2-OD2 3Å; R173-D175 PolarHBondContact O-N 3.17Å; R173-Q176 HydrophobicContact CB-CG 4.46Å; R173-Q176 VanDerWaalsContact CZ-CD 3.42Å; R173-Q176 VanDerWaalsContact NH1-NE2 3.18Å; R173-Q176 PolarHBondContact O-N 2.67Å; R173-R177 PolarHBondContact O-N 2.95Å
174	D	94.1	Very high	97	Very high	139 Å²	139	52 Å²	52	74%	0.743	26%	0.257	S	S	*	.	H	α-helix	trans	-55.4	-41.1	-179.7	-62.1	-18.7	0	0	0	112.6	R177 E178	D174-R177 PolarHBondContact O-N 3.07Å; D174-E178 VanDerWaalsContact O-CB 3.31Å; D174-E178 WeakPolarHBondContact O-CB 3.42Å; D174-E178 PolarHBondContact O-N 2.83Å
175	D	93.7	Very high	97	Very high	87 Å²	87	55.9 Å²	55.9	47%	0.465	28%	0.278	S	S	.	.	H	α-helix	trans	-64.8	-40	177.3	63	-58.3	0	0	0	112.9	R173 Y179	R173-D175 VanDerWaalsContact C-N 3.28Å; R173-D175 WeakPolarHBondContact CB-OD1 3.28Å; R173-D175 IonicContact CZ-OD1 3.48Å; R173-D175 IonicContact CZ-OD2 2.75Å; R173-D175 IonicContact NE-OD1 3.15Å; R173-D175 PolarHBondContact NE-OD1 2.88Å; R173-D175 IonicContact NE-OD2 3.83Å; R173-D175 PolarHBondContact NE-OD2 2.99Å; R173-D175 IonicContact NH2-OD1 3.59Å; R173-D175 IonicContact NH2-OD2 2.83Å; R173-D175 PolarHBondContact NH2-OD2 3Å; R173-D175 PolarHBondContact O-N 3.17Å; D175-Y179 WeakPolarHBondContact O-CB 3.19Å; D175-Y179 PolarHBondContact O-N 2.91Å
176	Q	95	Very high	97	Very high	10 Å²	10	57.7 Å²	57.7	5%	0.047	30%	0.297	C	S	.	.	H	α-helix	trans	-68.1	-45.8	177.3	-68.2	172.6	-53.2	0	0	110.6	A151 T155 L172 R173 Y179 L180	A151-Q176 PolarHBondContact O-NE2 3.18Å; A151-Q176 VanDerWaalsContact O-NE2 3.11Å; T155-Q176 PolarHBondContact O-NE2 3.34Å; T155-Q176 VanDerWaalsContact O-NE2 3.12Å; L172-Q176 HydrophobicContact CB-CB 4.34Å; L172-Q176 HydrophobicContact CD2-CB 4.17Å; R173-Q176 HydrophobicContact CB-CG 4.46Å; R173-Q176 VanDerWaalsContact CZ-CD 3.42Å; R173-Q176 VanDerWaalsContact NH1-NE2 3.18Å; R173-Q176 PolarHBondContact O-N 2.67Å; Q176-Y179 PolarHBondContact O-N 3.4Å; Q176-L180 WeakPolarHBondContact O-CB 3.44Å; Q176-L180 VanDerWaalsContact O-CG 3.28Å; Q176-L180 WeakPolarHBondContact O-CG 3.39Å; Q176-L180 PolarHBondContact O-N 2.61Å
177	R	96.2	Very high	97	Very high	67 Å²	67	61.6 Å²	61.6	25%	0.253	32%	0.32	S	S	.	.	H	α-helix	trans	-61.5	-47.3	178.2	-171	-174.5	-55.5	-98.3	-1.4	110.9	L172 R173 D174 Y179 L180 C181 L199	L172-R177 HydrophobicContact CB-CB 4.36Å; R173-R177 PolarHBondContact O-N 2.95Å; D174-R177 PolarHBondContact O-N 3.07Å; R177-Y179 VanDerWaalsContact C-N 3.3Å; R177-Y179 PolarHBondContact O-N 3.17Å; R177-L180 PolarHBondContact O-N 3.2Å; R177-C181 WeakPolarHBondContact O-CB 3.3Å; R177-C181 PolarHBondContact O-N 2.93Å; R177-C181 PolarHBondContact O-SG 2.75Å; R177-L199 WeakPolarHBondContact CD-O 3.04Å; R177-L199 WeakPolarHBondContact CG-O 3Å; R177-L199 PolarHBondContact NH1-O 3.48Å
178	E	96.6	Very high	97	Very high	117 Å²	117	61.5 Å²	61.5	55%	0.547	32%	0.32	S	S	.	.	H	α-helix	trans	-58.8	-42.9	177.4	-167.4	-160.3	143.7	0	0	111.5	D174 K182	D174-E178 VanDerWaalsContact O-CB 3.31Å; D174-E178 WeakPolarHBondContact O-CB 3.42Å; D174-E178 PolarHBondContact O-N 2.83Å; E178-K182 WeakPolarHBondContact O-CG 3.11Å; E178-K182 PolarHBondContact O-N 2.04Å; E178-K182 WeakPolarHBondContact OE1-CE 3.46Å; E178-K182 IonicContact OE1-NZ 3.57Å; E178-K182 PolarHBondContact OE1-NZ 2.99Å
179	Y	96.8	Very high	96.9	Very high	79 Å²	79	63.6 Å²	63.6	31%	0.31	34%	0.336	S	S	.	.	H	α-helix	trans	-63.8	-50	176	178	-100.1	0	0	0	112.1	F157 G159 D175 Q176 R177 C181 K182 I183	F157-Y179 HydrophobicContact CB-CE1 4.45Å; F157-Y179 WeakPolarHBondContact O-CE1 3.49Å; G159-Y179 PolarHBondContact N-OH 2.95Å; D175-Y179 WeakPolarHBondContact O-CB 3.19Å; D175-Y179 PolarHBondContact O-N 2.91Å; Q176-Y179 PolarHBondContact O-N 3.4Å; R177-Y179 VanDerWaalsContact C-N 3.3Å; R177-Y179 PolarHBondContact O-N 3.17Å; Y179-C181 VanDerWaalsContact C-N 3.34Å; Y179-C181 PolarHBondContact O-N 2.58Å; Y179-K182 WeakPolarHBondContact O-CB 2.79Å; Y179-K182 PolarHBondContact O-N 3.4Å; Y179-I183 HydrophobicContact CE1-CD1 3.92Å
180	L	97.8	Very high	96.9	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-63.6	-40.3	-178.4	-69.8	168.8	0	0	0	111.3	F157 I162 F167 L172 Q176 R177 K182 I183 A184 L199	F157-L180 HydrophobicContact CB-CD2 3.71Å; F157-L180 HydrophobicContact CD1-CD2 4.3Å; F157-L180 HydrophobicContact CD2-CD1 4.3Å; F157-L180 HydrophobicContact CD2-CD2 4.45Å; F157-L180 HydrophobicContact CG-CD2 3.93Å; I162-L180 HydrophobicContact CD1-CB 4.18Å; I162-L180 HydrophobicContact CD1-CD2 3.9Å; I162-L180 HydrophobicContact CG2-CD2 4.22Å; F167-L180 HydrophobicContact CE1-CD1 4.19Å; F167-L180 HydrophobicContact CZ-CD1 4.33Å; L172-L180 HydrophobicContact CD1-CD1 3.73Å; L172-L180 HydrophobicContact CD2-CD1 4.14Å; Q176-L180 WeakPolarHBondContact O-CB 3.44Å; Q176-L180 VanDerWaalsContact O-CG 3.28Å; Q176-L180 WeakPolarHBondContact O-CG 3.39Å; Q176-L180 PolarHBondContact O-N 2.61Å; R177-L180 PolarHBondContact O-N 3.2Å; L180-K182 PolarHBondContact O-N 3.1Å; L180-I183 HydrophobicContact CD2-CD1 4.31Å; L180-I183 CarbonylContact O-C 3.54Å; L180-I183 VanDerWaalsContact O-CG1 3.27Å; L180-I183 WeakPolarHBondContact O-CG1 3.34Å; L180-I183 PolarHBondContact O-N 3.48Å; L180-A184 VanDerWaalsContact O-CB 3.29Å; L180-A184 WeakPolarHBondContact O-CB 3.4Å; L180-A184 PolarHBondContact O-N 3.24Å; L180-L199 HydrophobicContact CB-CD1 3.94Å; L180-L199 HydrophobicContact CB-CD2 4.12Å; L180-L199 HydrophobicContact CD1-CD2 4.02Å
181	C	98.2	Very high	96.8	Very high	32 Å²	32	64.6 Å²	64.6	22%	0.216	35%	0.347	C	S	.	.	H	α-helix	trans	-61.1	-25.9	177	-74	0	0	0	0	114.2	R177 Y179 I183 C201	R177-C181 WeakPolarHBondContact O-CB 3.3Å; R177-C181 PolarHBondContact O-N 2.93Å; R177-C181 PolarHBondContact O-SG 2.75Å; Y179-C181 VanDerWaalsContact C-N 3.34Å; Y179-C181 PolarHBondContact O-N 2.58Å; C181-I183 VanDerWaalsContact C-N 3.3Å; C181-C201 WeakPolarHBondContact CA-SG 3.1Å; C181-C201 HydrophobicContact CB-CB 3.78Å; C181-C201 WeakPolarHBondContact CB-SG 3.38Å; C181-C201 WeakPolarHBondContact SG-CA 3.43Å; C181-C201 WeakPolarHBondContact SG-CB 3.31Å; C181-C201 CovalentContact SG-SG 2.04Å; C181-C201 PolarHBondContact SG-SG 2.7Å
182	K	97.9	Very high	96.9	Very high	145 Å²	145	63.7 Å²	63.7	63%	0.63	35%	0.349	S	S	*	.	H	α-helix	trans	-70.4	-26.4	174.7	-70.2	166.9	-173.8	166.7	0	112.9	E178 Y179 L180	E178-K182 WeakPolarHBondContact O-CG 3.11Å; E178-K182 PolarHBondContact O-N 2.04Å; E178-K182 WeakPolarHBondContact OE1-CE 3.46Å; E178-K182 IonicContact OE1-NZ 3.57Å; E178-K182 PolarHBondContact OE1-NZ 2.99Å; Y179-K182 WeakPolarHBondContact O-CB 2.79Å; Y179-K182 PolarHBondContact O-N 3.4Å; L180-K182 PolarHBondContact O-N 3.1Å
183	I	97.5	Very high	97.1	Very high	61 Å²	61	65.8 Å²	65.8	31%	0.313	36%	0.361	S	S	.	.	H	α-helix	trans	-113.7	-6	-175.5	62.9	167.5	0	0	0	113.3	A160 I162 Y179 L180 C181	A160-I183 WeakPolarHBondContact O-CD1 3.37Å; I162-I183 HydrophobicContact CD1-CD1 4.33Å; I162-I183 HydrophobicContact CD1-CG1 4Å; I162-I183 HydrophobicContact CG1-CD1 4.02Å; I162-I183 HydrophobicContact CG1-CG1 3.99Å; Y179-I183 HydrophobicContact CE1-CD1 3.92Å; L180-I183 HydrophobicContact CD2-CD1 4.31Å; L180-I183 CarbonylContact O-C 3.54Å; L180-I183 VanDerWaalsContact O-CG1 3.27Å; L180-I183 WeakPolarHBondContact O-CG1 3.34Å; L180-I183 PolarHBondContact O-N 3.48Å; C181-I183 VanDerWaalsContact C-N 3.3Å
184	A	98.1	Very high	97.2	Very high	5 Å²	5	63.1 Å²	63.1	4%	0.041	36%	0.355	C	S	.	.			trans	-72.7	130.9	-177	0	0	0	0	0	112.3	I162 L180 T195 K196 L199	I162-A184 HydrophobicContact CD1-CB 3.87Å; L180-A184 VanDerWaalsContact O-CB 3.29Å; L180-A184 WeakPolarHBondContact O-CB 3.4Å; L180-A184 PolarHBondContact O-N 3.24Å; A184-T195 HydrophobicContact CB-CG2 3.95Å; A184-K196 HydrophobicContact CB-CG 3.89Å; A184-K196 WeakPolarHBondContact O-CE 3.37Å; A184-L199 HydrophobicContact CB-CD1 3.61Å
185	D	98.1	Very high	97.5	Very high	81 Å²	81	56.5 Å²	56.5	43%	0.433	32%	0.32	S	S	.	.			trans	-157.2	179.9	169.1	66.5	-6.5	0	0	0	110.4	T163 G164 T195	T163-D185 WeakPolarHBondContact CA-OD1 3.27Å; T163-D185 WeakPolarHBondContact CG2-OD1 3.26Å; T163-D185 PolarHBondContact OG1-OD1 3.21Å; G164-D185 PolarHBondContact N-O 2.79Å; D185-T195 WeakPolarHBondContact O-CB 3.29Å; D185-T195 PolarHBondContact O-OG1 2.85Å
186	G	98.3	Very high	97.7	Very high	38 Å²	38	57.7 Å²	57.7	39%	0.392	32%	0.321	S	S	.	.	S	Bend	trans	80.4	177.3	178.5	0	0	0	0	0	115.3	T195	G186-T195 PolarHBondContact O-N 3.15Å
187	V	98.6	Very high	97.8	Very high	81 Å²	81	63.7 Å²	63.7	49%	0.491	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-131.4	131.2	178.1	178.7	0	0	0	0	106.9	S189 G192 P194	V187-S189 PolarHBondContact O-N 3.13Å; V187-G192 VanDerWaalsContact CG1-C 3.5Å; V187-G192 VanDerWaalsContact CG1-O 3.25Å; V187-G192 WeakPolarHBondContact CG1-O 3.3Å; V187-P194 HydrophobicContact CG2-CB 4.34Å; V187-P194 HydrophobicContact CG2-CG 4.33Å
188	N	98.6	Very high	97.9	Very high	2 Å²	2	61 Å²	61	1%	0.011	34%	0.34	C	S	.	.			trans	-62.7	125.5	-178.8	-172	-81.5	0	0	0	110.7	N143 A144 G164 D166 T190 T191 G192 N193	N143-N188 VanDerWaalsContact C-ND2 3.33Å; N143-N188 PolarHBondContact O-ND2 2.87Å; A144-N188 PolarHBondContact O-ND2 3.11Å; G164-N188 WeakPolarHBondContact O-CA 3.42Å; G164-N188 WeakPolarHBondContact O-CB 3.27Å; G164-N188 PolarHBondContact O-ND2 3.12Å; D166-N188 HydrophobicContact CB-CB 4.24Å; N188-T190 PolarHBondContact O-N 2.71Å; N188-T190 WeakPolarHBondContact OD1-CA 3.38Å; N188-T190 VanDerWaalsContact OD1-CB 3.32Å; N188-T190 WeakPolarHBondContact OD1-CB 3.13Å; N188-T190 PolarHBondContact OD1-N 3Å; N188-T191 VanDerWaalsContact CB-OG1 3.32Å; N188-T191 WeakPolarHBondContact CB-OG1 3.44Å; N188-T191 PolarHBondContact OD1-N 2.8Å; N188-T191 PolarHBondContact OD1-OG1 3.48Å; N188-G192 VanDerWaalsContact O-CA 3.31Å; N188-G192 WeakPolarHBondContact O-CA 3.47Å; N188-G192 PolarHBondContact O-N 3.13Å; N188-N193 PolarHBondContact N-O 3.46Å
189	S	98	Very high	98	Very high	81 Å²	81	55.5 Å²	55.5	57%	0.566	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-19.8	-177.6	62.1	0	0	0	0	114.1	V187	V187-S189 PolarHBondContact O-N 3.13Å
190	T	96.5	Very high	98	Very high	109 Å²	109	58.8 Å²	58.8	67%	0.669	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-46.2	-178.1	-58.6	0	0	0	0	112.2	N188	N188-T190 PolarHBondContact O-N 2.71Å; N188-T190 WeakPolarHBondContact OD1-CA 3.38Å; N188-T190 VanDerWaalsContact OD1-CB 3.32Å; N188-T190 WeakPolarHBondContact OD1-CB 3.13Å; N188-T190 PolarHBondContact OD1-N 3Å
191	T	97.4	Very high	98	Very high	45 Å²	45	60.4 Å²	60.4	28%	0.276	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-23	-176.2	67.5	0	0	0	0	113.3	N145 D166 N188 N193	N145-T191 WeakPolarHBondContact ND2-CG2 3.44Å; D166-T191 VanDerWaalsContact OD2-CB 3.31Å; D166-T191 WeakPolarHBondContact OD2-CB 3.43Å; D166-T191 WeakPolarHBondContact OD2-CG2 3.28Å; D166-T191 PolarHBondContact OD2-OG1 3.18Å; N188-T191 VanDerWaalsContact CB-OG1 3.32Å; N188-T191 WeakPolarHBondContact CB-OG1 3.44Å; N188-T191 PolarHBondContact OD1-N 2.8Å; N188-T191 PolarHBondContact OD1-OG1 3.48Å; T191-N193 PolarHBondContact O-N 3.19Å; T191-N193 PolarHBondContact OG1-N 3.44Å
192	G	98.2	Very high	97.4	Very high	47 Å²	47	68 Å²	68	49%	0.485	40%	0.395	S	S	.	.			trans	76.9	4.1	-173.8	0	0	0	0	0	114.4	V187 N188	V187-G192 VanDerWaalsContact CG1-C 3.5Å; V187-G192 VanDerWaalsContact CG1-O 3.25Å; V187-G192 WeakPolarHBondContact CG1-O 3.3Å; N188-G192 VanDerWaalsContact O-CA 3.31Å; N188-G192 WeakPolarHBondContact O-CA 3.47Å; N188-G192 PolarHBondContact O-N 3.13Å
193	N	98.3	Very high	97.4	Very high	62 Å²	62	64.2 Å²	64.2	33%	0.332	38%	0.383	S	S	.	.			trans	-82.4	133	-179.3	-65.5	-30.5	0	0	0	111.4	D166 N188 T191 T198	D166-N193 WeakPolarHBondContact OD2-CB 3.48Å; D166-N193 PolarHBondContact OD2-ND2 2.85Å; N188-N193 PolarHBondContact N-O 3.46Å; T191-N193 PolarHBondContact O-N 3.19Å; T191-N193 PolarHBondContact OG1-N 3.44Å; N193-T198 HydrophobicContact CB-CG2 3.62Å
194	P	98.4	Very high	97.4	Very high	37 Å²	37	64.3 Å²	64.3	24%	0.24	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-68.1	129.8	171.3	-20.5	33.8	0	0	0	111.8	V187 K196 E197 T198	V187-P194 HydrophobicContact CG2-CB 4.34Å; V187-P194 HydrophobicContact CG2-CG 4.33Å; P194-K196 VanDerWaalsContact C-N 3.27Å; P194-K196 PolarHBondContact O-N 3.32Å; P194-E197 HydrophobicContact CB-CB 4.28Å; P194-E197 HydrophobicContact CB-CG 4.04Å; P194-E197 HydrophobicContact CG-CG 4.24Å; P194-E197 WeakPolarHBondContact O-CB 2.99Å; P194-E197 PolarHBondContact O-N 3.28Å; P194-T198 WeakPolarHBondContact O-CG2 3.33Å; P194-T198 PolarHBondContact O-N 2.89Å; P194-T198 VanDerWaalsContact O-N 3.16Å
195	T	98.6	Very high	97.3	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-55.6	-41.8	-175.8	-60.9	0	0	0	0	112.6	I162 G164 A165 F167 A184 D185 G186 E197 T198 L199	I162-T195 HydrophobicContact CD1-CG2 4.17Å; G164-T195 WeakPolarHBondContact CA-OG1 3.24Å; G164-T195 PolarHBondContact N-OG1 3.43Å; A165-T195 PolarHBondContact N-OG1 3.29Å; A165-T195 VanDerWaalsContact N-OG1 3.09Å; A165-T195 WeakPolarHBondContact O-CA 3.43Å; A165-T195 VanDerWaalsContact O-CB 3.29Å; A165-T195 WeakPolarHBondContact O-CB 3.38Å; A165-T195 VanDerWaalsContact O-CG2 3.24Å; A165-T195 WeakPolarHBondContact O-CG2 3.02Å; A165-T195 PolarHBondContact O-OG1 3.38Å; F167-T195 HydrophobicContact CD2-CG2 4.27Å; F167-T195 HydrophobicContact CE2-CG2 4.33Å; A184-T195 HydrophobicContact CB-CG2 3.95Å; D185-T195 WeakPolarHBondContact O-CB 3.29Å; D185-T195 PolarHBondContact O-OG1 2.85Å; G186-T195 PolarHBondContact O-N 3.15Å; T195-E197 VanDerWaalsContact C-N 3.3Å; T195-E197 PolarHBondContact O-N 3.06Å; T195-T198 PolarHBondContact O-N 2.94Å; T195-T198 PolarHBondContact O-OG1 3.07Å; T195-L199 HydrophobicContact CG2-CD1 3.92Å; T195-L199 WeakPolarHBondContact O-CG 3.41Å; T195-L199 PolarHBondContact O-N 3.26Å; T195-L199 VanDerWaalsContact O-N 3.07Å
196	K	98.3	Very high	97.3	Very high	113 Å²	113	66.8 Å²	66.8	49%	0.491	40%	0.404	S	S	.	.	H	α-helix	trans	-61.5	-35	177.6	-71.4	-170.1	177.6	-172.8	0	113.7	A184 P194 F200 C201	A184-K196 HydrophobicContact CB-CG 3.89Å; A184-K196 WeakPolarHBondContact O-CE 3.37Å; P194-K196 VanDerWaalsContact C-N 3.27Å; P194-K196 PolarHBondContact O-N 3.32Å; K196-F200 PolarHBondContact O-N 2.83Å; K196-C201 HydrophobicContact CB-CB 4.29Å; K196-C201 PolarHBondContact O-N 2.91Å
197	E	98.1	Very high	97.2	Very high	136 Å²	136	68.6 Å²	68.6	64%	0.636	41%	0.405	S	S	*	.	H	α-helix	trans	-72.1	-43.2	178.3	-68.8	-177.8	-173.5	0	0	110.5	P194 T195 L199 F200	P194-E197 HydrophobicContact CB-CB 4.28Å; P194-E197 HydrophobicContact CB-CG 4.04Å; P194-E197 HydrophobicContact CG-CG 4.24Å; P194-E197 WeakPolarHBondContact O-CB 2.99Å; P194-E197 PolarHBondContact O-N 3.28Å; T195-E197 VanDerWaalsContact C-N 3.3Å; T195-E197 PolarHBondContact O-N 3.06Å; E197-L199 PolarHBondContact O-N 2.87Å; E197-F200 PolarHBondContact O-N 3.42Å
198	T	98.4	Very high	97.1	Very high	11 Å²	11	67.8 Å²	67.8	7%	0.067	40%	0.4	C	S	.	.	H	α-helix	trans	-63.1	-30.4	177.4	70.7	0	0	0	0	112.7	D166 F167 N193 P194 T195 F200	D166-T198 VanDerWaalsContact OD1-CG2 3.25Å; D166-T198 WeakPolarHBondContact OD1-CG2 3.37Å; F167-T198 PolarHBondContact N-OG1 3.25Å; N193-T198 HydrophobicContact CB-CG2 3.62Å; P194-T198 WeakPolarHBondContact O-CG2 3.33Å; P194-T198 PolarHBondContact O-N 2.89Å; P194-T198 VanDerWaalsContact O-N 3.16Å; T195-T198 PolarHBondContact O-N 2.94Å; T195-T198 PolarHBondContact O-OG1 3.07Å; T198-F200 VanDerWaalsContact C-N 3.34Å; T198-F200 WeakPolarHBondContact O-CD2 3.4Å
199	L	98.1	Very high	97	Very high	1 Å²	1	72.5 Å²	72.5	1%	0.005	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-6.7	174.5	-73.7	169.8	0	0	0	113.6	I162 F167 L172 R177 L180 A184 T195 E197 C201	I162-L199 HydrophobicContact CD1-CD1 4Å; F167-L199 HydrophobicContact CB-CD2 3.67Å; F167-L199 HydrophobicContact CB-CG 4.05Å; F167-L199 HydrophobicContact CD1-CD2 4.02Å; F167-L199 HydrophobicContact CD2-CD1 4.09Å; F167-L199 HydrophobicContact CD2-CD2 3.64Å; F167-L199 HydrophobicContact CD2-CG 3.75Å; F167-L199 HydrophobicContact CE2-CD1 4.32Å; F167-L199 HydrophobicContact CE2-CD2 4.22Å; F167-L199 HydrophobicContact CE2-CG 4.43Å; F167-L199 HydrophobicContact CG-CD2 3.51Å; F167-L199 HydrophobicContact CG-CG 4.04Å; L172-L199 HydrophobicContact CD1-CD2 3.47Å; L172-L199 VanDerWaalsContact CD1-CD2 3.47Å; R177-L199 WeakPolarHBondContact CD-O 3.04Å; R177-L199 WeakPolarHBondContact CG-O 3Å; R177-L199 PolarHBondContact NH1-O 3.48Å; L180-L199 HydrophobicContact CB-CD1 3.94Å; L180-L199 HydrophobicContact CB-CD2 4.12Å; L180-L199 HydrophobicContact CD1-CD2 4.02Å; A184-L199 HydrophobicContact CB-CD1 3.61Å; T195-L199 HydrophobicContact CG2-CD1 3.92Å; T195-L199 WeakPolarHBondContact O-CG 3.41Å; T195-L199 PolarHBondContact O-N 3.26Å; T195-L199 VanDerWaalsContact O-N 3.07Å; E197-L199 PolarHBondContact O-N 2.87Å; L199-C201 VanDerWaalsContact C-N 3.27Å; L199-C201 VanDerWaalsContact CB-SG 3.53Å; L199-C201 PolarHBondContact O-N 2.58Å
200	F	97.1	Very high	97	Very high	148 Å²	148	71.8 Å²	71.8	65%	0.649	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	44.5	-171.9	-54.9	-91.9	0	0	0	112.6	K196 E197 T198	K196-F200 PolarHBondContact O-N 2.83Å; E197-F200 PolarHBondContact O-N 3.42Å; T198-F200 VanDerWaalsContact C-N 3.34Å; T198-F200 WeakPolarHBondContact O-CD2 3.4Å
201	C	96.4	Very high	97	Very high	33 Å²	33	68.8 Å²	68.8	22%	0.223	40%	0.396	C	S	.	.			trans	-68.8	132.6	175.1	-57.9	0	0	0	0	110.1	C181 K196 L199	C181-C201 WeakPolarHBondContact CA-SG 3.1Å; C181-C201 HydrophobicContact CB-CB 3.78Å; C181-C201 WeakPolarHBondContact CB-SG 3.38Å; C181-C201 WeakPolarHBondContact SG-CA 3.43Å; C181-C201 WeakPolarHBondContact SG-CB 3.31Å; C181-C201 CovalentContact SG-SG 2.04Å; C181-C201 PolarHBondContact SG-SG 2.7Å; K196-C201 HydrophobicContact CB-CB 4.29Å; K196-C201 PolarHBondContact O-N 2.91Å; L199-C201 VanDerWaalsContact C-N 3.27Å; L199-C201 VanDerWaalsContact CB-SG 3.53Å; L199-C201 PolarHBondContact O-N 2.58Å
202	S	86.9	Confident	97	Very high	192 Å²	192	70.9 Å²	70.9	100%	1.343	41%	0.406	S	S	*	.			trans	-76.3	0	173.1	62	0	0	0	0	112.9

Retrieved 202 of 202 residues in 94 ms (Link to these results)

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